smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453788 1093036474 /nfs/dbraw/zinc/03/64/74/1093036474.db2.gz BHRFLVSEFAMQBD-SFHVURJKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453788 1093036478 /nfs/dbraw/zinc/03/64/78/1093036478.db2.gz BHRFLVSEFAMQBD-SFHVURJKSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454362 1093049195 /nfs/dbraw/zinc/04/91/95/1093049195.db2.gz RPNDMYBNUDDOMH-QUCCMNQESA-N 1 3 347.547 2.547 20 30 EFEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454362 1093049203 /nfs/dbraw/zinc/04/92/03/1093049203.db2.gz RPNDMYBNUDDOMH-QUCCMNQESA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(NC(=O)CN(C)C2CCC2)CCCC[C@@H]1C ZINC001481956636 1096994656 /nfs/dbraw/zinc/99/46/56/1096994656.db2.gz BAWCJTQLHPOMRT-KBXCAEBGSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001481960147 1097009258 /nfs/dbraw/zinc/00/92/58/1097009258.db2.gz BKQIUYLGWCSQBM-YOEHRIQHSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742509 1099481308 /nfs/dbraw/zinc/48/13/08/1099481308.db2.gz MSPWVOLONLYSAC-HZPDHXFCSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742508 1099481737 /nfs/dbraw/zinc/48/17/37/1099481737.db2.gz MSPWVOLONLYSAC-HOTGVXAUSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396642 1100587509 /nfs/dbraw/zinc/58/75/09/1100587509.db2.gz QZERNVRGBFRJQO-FQEVSTJZSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396642 1100587515 /nfs/dbraw/zinc/58/75/15/1100587515.db2.gz QZERNVRGBFRJQO-FQEVSTJZSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396769 1100593146 /nfs/dbraw/zinc/59/31/46/1100593146.db2.gz VISJUGLYEPCXGY-LJQANCHMSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396769 1100593153 /nfs/dbraw/zinc/59/31/53/1100593153.db2.gz VISJUGLYEPCXGY-LJQANCHMSA-N 1 3 333.520 2.606 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792206 1100776089 /nfs/dbraw/zinc/77/60/89/1100776089.db2.gz SDBDTRRXVZAFPU-OTWHNJEPSA-N 1 3 333.520 2.633 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792206 1100776093 /nfs/dbraw/zinc/77/60/93/1100776093.db2.gz SDBDTRRXVZAFPU-OTWHNJEPSA-N 1 3 333.520 2.633 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385404 1101388541 /nfs/dbraw/zinc/38/85/41/1101388541.db2.gz BMEPTDXFEMMERA-MRXNPFEDSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385404 1101388554 /nfs/dbraw/zinc/38/85/54/1101388554.db2.gz BMEPTDXFEMMERA-MRXNPFEDSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C(F)(F)F ZINC001112181880 1101964083 /nfs/dbraw/zinc/96/40/83/1101964083.db2.gz BQNCKBMDZASFNY-RBSFLKMASA-N 1 3 349.441 2.662 20 30 EFEDHO C=CCC[NH2+]CC1(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232532 1102097246 /nfs/dbraw/zinc/09/72/46/1102097246.db2.gz GJPXZXLMPWHERI-IBGZPJMESA-N 1 3 339.499 2.651 20 30 EFEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506720 1102439623 /nfs/dbraw/zinc/43/96/23/1102439623.db2.gz BNRMNCKZKXZMBD-PXNSSMCTSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001088317340 1102883507 /nfs/dbraw/zinc/88/35/07/1102883507.db2.gz ZARLQLIPYKBOQX-YESZJQIVSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317340 1102883514 /nfs/dbraw/zinc/88/35/14/1102883514.db2.gz ZARLQLIPYKBOQX-YESZJQIVSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330990 1102955420 /nfs/dbraw/zinc/95/54/20/1102955420.db2.gz NCYLVSIZRBBJJP-HOTGVXAUSA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001105438943 1104100522 /nfs/dbraw/zinc/10/05/22/1104100522.db2.gz SAARURCKLVYWJY-IRFCIJBXSA-N 1 3 343.515 2.709 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622006 1105522640 /nfs/dbraw/zinc/52/26/40/1105522640.db2.gz CVAFWAWIBVXUGJ-NEWSRXKRSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622006 1105522645 /nfs/dbraw/zinc/52/26/45/1105522645.db2.gz CVAFWAWIBVXUGJ-NEWSRXKRSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542499 1105900510 /nfs/dbraw/zinc/90/05/10/1105900510.db2.gz WSHAQEVSSFYOPU-SFHVURJKSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563290 1105942193 /nfs/dbraw/zinc/94/21/93/1105942193.db2.gz IWYNHMZHMKPJLO-QZTJIDSGSA-N 1 3 333.520 2.655 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC(CC)CC)CC2)CC1 ZINC001168308454 1106529534 /nfs/dbraw/zinc/52/95/34/1106529534.db2.gz SMDKPKRROZUMFG-UHFFFAOYSA-N 1 3 347.547 2.644 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665522 1111708428 /nfs/dbraw/zinc/70/84/28/1111708428.db2.gz ZSAIECIWWXCIOR-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089385807 1112049088 /nfs/dbraw/zinc/04/90/88/1112049088.db2.gz JTNUNTBJGAMHJY-SFHVURJKSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089385807 1112049090 /nfs/dbraw/zinc/04/90/90/1112049090.db2.gz JTNUNTBJGAMHJY-SFHVURJKSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511354 1112255549 /nfs/dbraw/zinc/25/55/49/1112255549.db2.gz RJROUOONIJKPPE-RBUKOAKNSA-N 1 3 347.547 2.879 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511354 1112255551 /nfs/dbraw/zinc/25/55/51/1112255551.db2.gz RJROUOONIJKPPE-RBUKOAKNSA-N 1 3 347.547 2.879 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)CC(C)(C)C2)CC1 ZINC001089560596 1112308858 /nfs/dbraw/zinc/30/88/58/1112308858.db2.gz BRGDHKCPRYDLJX-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)CC(C)(C)C2)CC1 ZINC001089560596 1112308863 /nfs/dbraw/zinc/30/88/63/1112308863.db2.gz BRGDHKCPRYDLJX-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641781 1112434675 /nfs/dbraw/zinc/43/46/75/1112434675.db2.gz SPFVDUOZZFMXEF-QZTJIDSGSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845164 1118241440 /nfs/dbraw/zinc/24/14/40/1118241440.db2.gz DCBUILSMDYTHBU-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845164 1118241444 /nfs/dbraw/zinc/24/14/44/1118241444.db2.gz DCBUILSMDYTHBU-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945091561 1120567785 /nfs/dbraw/zinc/56/77/85/1120567785.db2.gz OKSKPUXTEYQHTH-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945091561 1120567790 /nfs/dbraw/zinc/56/77/90/1120567790.db2.gz OKSKPUXTEYQHTH-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859745 234355711 /nfs/dbraw/zinc/35/57/11/234355711.db2.gz VSURJESLWGEGBG-LEWJYISDSA-N 1 3 340.515 2.985 20 30 EFEDHO C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262374518 240349199 /nfs/dbraw/zinc/34/91/99/240349199.db2.gz JFXJLKRXSVXRAW-FCFHUKJJSA-N 1 3 340.515 2.798 20 30 EFEDHO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(Cl)cc1F ZINC000262683032 240365720 /nfs/dbraw/zinc/36/57/20/240365720.db2.gz XCCPFVJYLXASRJ-CZUORRHYSA-N 1 3 336.842 2.542 20 30 EFEDHO C#CCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654408 201305700 /nfs/dbraw/zinc/30/57/00/201305700.db2.gz SSITYCIWHRWDNN-ZWKOTPCHSA-N 1 3 330.472 2.850 20 30 EFEDHO C#CCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654408 201305704 /nfs/dbraw/zinc/30/57/04/201305704.db2.gz SSITYCIWHRWDNN-ZWKOTPCHSA-N 1 3 330.472 2.850 20 30 EFEDHO [NH2+]=C(NC[C@@H]1CCCN(Cc2cccs2)C1)Nc1ccccn1 ZINC000170911500 239134479 /nfs/dbraw/zinc/13/44/79/239134479.db2.gz SSUFPQOJQJJLIC-AWEZNQCLSA-N 1 3 329.473 2.782 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)C(C)C ZINC000279012877 201313902 /nfs/dbraw/zinc/31/39/02/201313902.db2.gz LSMSPJDHKNXABI-LJQANCHMSA-N 1 3 333.520 2.676 20 30 EFEDHO C[C@@H]1CN(CCC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000177506947 239376024 /nfs/dbraw/zinc/37/60/24/239376024.db2.gz ATXVJGQDJSLFDL-CALCHBBNSA-N 1 3 339.549 2.845 20 30 EFEDHO Cc1ncc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000262017332 240341795 /nfs/dbraw/zinc/34/17/95/240341795.db2.gz WOIHNRLTQTZKFA-UHFFFAOYSA-N 1 3 343.500 2.520 20 30 EFEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCCC[C@@H]1C ZINC000262025047 240343339 /nfs/dbraw/zinc/34/33/39/240343339.db2.gz ZFJXPDUCUXVMIJ-LSDHHAIUSA-N 1 3 346.475 2.837 20 30 EFEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000294029428 241032303 /nfs/dbraw/zinc/03/23/03/241032303.db2.gz WLXUTIWEAYVVIU-IBGZPJMESA-N 1 3 338.455 2.623 20 30 EFEDHO Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000329302487 241344582 /nfs/dbraw/zinc/34/45/82/241344582.db2.gz WKYVGCJGEFUVPE-MRXNPFEDSA-N 1 3 347.507 2.692 20 30 EFEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(CCCOCC)C[C@@H]2C)CC1 ZINC000361227662 242219225 /nfs/dbraw/zinc/21/92/25/242219225.db2.gz HCRYOXUFHNHZRY-AZUAARDMSA-N 1 3 337.552 2.754 20 30 EFEDHO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785347 242281841 /nfs/dbraw/zinc/28/18/41/242281841.db2.gz OVUDKUNMKSEZJX-PKOBYXMFSA-N 1 3 341.499 2.518 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000072725495 203244087 /nfs/dbraw/zinc/24/40/87/203244087.db2.gz WKRJYYXFYMPFOI-GOSISDBHSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000072725495 203244090 /nfs/dbraw/zinc/24/40/90/203244090.db2.gz WKRJYYXFYMPFOI-GOSISDBHSA-N 1 3 328.460 2.693 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417059157 245001227 /nfs/dbraw/zinc/00/12/27/245001227.db2.gz HKXWSWCRADZBNQ-RCCFBDPRSA-N 1 3 336.524 2.502 20 30 EFEDHO CN(c1ccccc1CN[C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C)CC1 ZINC000424201310 246696565 /nfs/dbraw/zinc/69/65/65/246696565.db2.gz RPQYXLWMSZNROD-FUHWJXTLSA-N 1 3 326.488 2.999 20 30 EFEDHO CC(C)C[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433344591 248048457 /nfs/dbraw/zinc/04/84/57/248048457.db2.gz SOQRYAOHVLQPDR-GOSISDBHSA-N 1 3 327.472 2.996 20 30 EFEDHO Cc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1C#N ZINC000443965246 250241286 /nfs/dbraw/zinc/24/12/86/250241286.db2.gz MULKYKHPNUBZSP-UHFFFAOYSA-N 1 3 348.494 2.904 20 30 EFEDHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C#N ZINC000443998526 250247636 /nfs/dbraw/zinc/24/76/36/250247636.db2.gz VEVXSNAGTUIANU-OAQYLSRUSA-N 1 3 335.451 2.723 20 30 EFEDHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C#N ZINC000443998526 250247639 /nfs/dbraw/zinc/24/76/39/250247639.db2.gz VEVXSNAGTUIANU-OAQYLSRUSA-N 1 3 335.451 2.723 20 30 EFEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268814896 252265119 /nfs/dbraw/zinc/26/51/19/252265119.db2.gz FULYOGXOWHQIOA-NVXWUHKLSA-N 1 3 338.879 2.925 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375543968 287141959 /nfs/dbraw/zinc/14/19/59/287141959.db2.gz BYJSHJUDQDTWQS-IRXDYDNUSA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000375543968 287141961 /nfs/dbraw/zinc/14/19/61/287141961.db2.gz BYJSHJUDQDTWQS-IRXDYDNUSA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000375543968 287141962 /nfs/dbraw/zinc/14/19/62/287141962.db2.gz BYJSHJUDQDTWQS-IRXDYDNUSA-N 1 3 326.488 2.720 20 30 EFEDHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289387251 266122898 /nfs/dbraw/zinc/12/28/98/266122898.db2.gz DHABKQLVVRSNSR-UHFFFAOYSA-N 1 3 325.460 2.732 20 30 EFEDHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000289387251 266122899 /nfs/dbraw/zinc/12/28/99/266122899.db2.gz DHABKQLVVRSNSR-UHFFFAOYSA-N 1 3 325.460 2.732 20 30 EFEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211307 266154726 /nfs/dbraw/zinc/15/47/26/266154726.db2.gz WAJFNMSCJLJKDU-QAPCUYQASA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211307 266154730 /nfs/dbraw/zinc/15/47/30/266154730.db2.gz WAJFNMSCJLJKDU-QAPCUYQASA-N 1 3 328.460 2.691 20 30 EFEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000348112999 267160272 /nfs/dbraw/zinc/16/02/72/267160272.db2.gz GQBKZGHTVZWWJR-GPMSIDNRSA-N 1 3 338.455 2.620 20 30 EFEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000348112999 267160276 /nfs/dbraw/zinc/16/02/76/267160276.db2.gz GQBKZGHTVZWWJR-GPMSIDNRSA-N 1 3 338.455 2.620 20 30 EFEDHO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCCC1 ZINC000285769151 267163435 /nfs/dbraw/zinc/16/34/35/267163435.db2.gz SQYICWOXRNBWST-QGZVFWFLSA-N 1 3 326.488 2.849 20 30 EFEDHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000271872519 267181494 /nfs/dbraw/zinc/18/14/94/267181494.db2.gz NDRGLNBYUPIJJM-SFHVURJKSA-N 1 3 349.482 2.816 20 30 EFEDHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)ccc1C#N ZINC000332538884 267326994 /nfs/dbraw/zinc/32/69/94/267326994.db2.gz ZMOBBNYWSRVIKJ-VQTJNVASSA-N 1 3 327.472 2.724 20 30 EFEDHO N#Cc1ccc([C@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509093 268216038 /nfs/dbraw/zinc/21/60/38/268216038.db2.gz RGGKMLRXFOAVPZ-BHIFYINESA-N 1 3 347.462 2.655 20 30 EFEDHO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509093 268216039 /nfs/dbraw/zinc/21/60/39/268216039.db2.gz RGGKMLRXFOAVPZ-BHIFYINESA-N 1 3 347.462 2.655 20 30 EFEDHO C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411419628 288156403 /nfs/dbraw/zinc/15/64/03/288156403.db2.gz TXOMTHLJZSPHGP-RTBURBONSA-N 1 3 332.536 2.808 20 30 EFEDHO CO[C@@]1(C)CCCN(CC#CC[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460365 294130053 /nfs/dbraw/zinc/13/00/53/294130053.db2.gz ZXLPWAZMOXTLDT-PMACEKPBSA-N 1 3 336.520 2.772 20 30 EFEDHO CO[C@@]1(C)CCCN(CC#CC[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000367460365 294130057 /nfs/dbraw/zinc/13/00/57/294130057.db2.gz ZXLPWAZMOXTLDT-PMACEKPBSA-N 1 3 336.520 2.772 20 30 EFEDHO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCCN1 ZINC000566091111 319031484 /nfs/dbraw/zinc/03/14/84/319031484.db2.gz QFSDDDAHFFNKJX-QGPMSJSTSA-N 1 3 330.451 2.786 20 30 EFEDHO C[N@@H+]1CCC[C@@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305401 /nfs/dbraw/zinc/30/54/01/473305401.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 1 3 326.488 2.550 20 30 EFEDHO C[N@H+]1CCC[C@@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124794963 473305406 /nfs/dbraw/zinc/30/54/06/473305406.db2.gz QRIFJPUFFUGIAH-HXUWFJFHSA-N 1 3 326.488 2.550 20 30 EFEDHO C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCC(C)CC1 ZINC000083034006 473316860 /nfs/dbraw/zinc/31/68/60/473316860.db2.gz NSJRHBUANNMSID-RDJZCZTQSA-N 1 3 330.476 2.535 20 30 EFEDHO C#CCSCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150970367 473389045 /nfs/dbraw/zinc/38/90/45/473389045.db2.gz SXBFOYUHDJAPOR-UHFFFAOYSA-N 1 3 331.529 2.673 20 30 EFEDHO C#CCSCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150970367 473389047 /nfs/dbraw/zinc/38/90/47/473389047.db2.gz SXBFOYUHDJAPOR-UHFFFAOYSA-N 1 3 331.529 2.673 20 30 EFEDHO CCCOCc1ccccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000104174967 472660050 /nfs/dbraw/zinc/66/00/50/472660050.db2.gz QGNLNYJYAYMNLR-GOSISDBHSA-N 1 3 332.492 2.502 20 30 EFEDHO C=CCCOCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000120855443 472758165 /nfs/dbraw/zinc/75/81/65/472758165.db2.gz GWUPAVOIOFWKGC-UHFFFAOYSA-N 1 3 331.504 2.899 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000106256154 472835776 /nfs/dbraw/zinc/83/57/76/472835776.db2.gz VDNKTBKLJCAMSI-UHFFFAOYSA-N 1 3 336.524 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000106340821 472842088 /nfs/dbraw/zinc/84/20/88/472842088.db2.gz AYZSONSEUCNPOC-IBGZPJMESA-N 1 3 348.535 2.687 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043474 472847320 /nfs/dbraw/zinc/84/73/20/472847320.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000092043474 472847323 /nfs/dbraw/zinc/84/73/23/472847323.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000092043474 472847326 /nfs/dbraw/zinc/84/73/26/472847326.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000092043474 472847331 /nfs/dbraw/zinc/84/73/31/472847331.db2.gz XJDNJSXKFBUICA-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710699 472858634 /nfs/dbraw/zinc/85/86/34/472858634.db2.gz KBSITDKRUCCTOJ-CEXWTWQISA-N 1 3 348.535 2.563 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000073710699 472858641 /nfs/dbraw/zinc/85/86/41/472858641.db2.gz KBSITDKRUCCTOJ-CEXWTWQISA-N 1 3 348.535 2.563 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185782147 473512313 /nfs/dbraw/zinc/51/23/13/473512313.db2.gz QGBQXAMXPBUSCR-NHCUHLMSSA-N 1 3 340.515 2.996 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185782129 473513070 /nfs/dbraw/zinc/51/30/70/473513070.db2.gz QGBQXAMXPBUSCR-SFTDATJTSA-N 1 3 340.515 2.996 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681256 473732809 /nfs/dbraw/zinc/73/28/09/473732809.db2.gz LRJLLXUQDPAKLZ-VQIMIIECSA-N 1 3 344.503 2.627 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)N2CCCC2)cc1OC ZINC000264106082 473950444 /nfs/dbraw/zinc/95/04/44/473950444.db2.gz NUXKCFQIRGUSMJ-OAHLLOKOSA-N 1 3 334.464 2.551 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000264125564 473951896 /nfs/dbraw/zinc/95/18/96/473951896.db2.gz SCFILNMKDKBDAA-UHFFFAOYSA-N 1 3 342.443 2.562 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCc2cccc(OCCN(C)C)c2)cc1 ZINC000264119753 473952399 /nfs/dbraw/zinc/95/23/99/473952399.db2.gz QQDLCBQYFXPIHR-UHFFFAOYSA-N 1 3 342.443 2.562 20 30 EFEDHO N#Cc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000180988325 473996123 /nfs/dbraw/zinc/99/61/23/473996123.db2.gz YQIHWQPGRAAXRB-NRFANRHFSA-N 1 3 335.451 2.805 20 30 EFEDHO N#Cc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000180988325 473996126 /nfs/dbraw/zinc/99/61/26/473996126.db2.gz YQIHWQPGRAAXRB-NRFANRHFSA-N 1 3 335.451 2.805 20 30 EFEDHO CC[N@H+](CCCN(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289418183 474262322 /nfs/dbraw/zinc/26/23/22/474262322.db2.gz ISFBNQGYQAMEPK-UHFFFAOYSA-N 1 3 340.475 2.632 20 30 EFEDHO CC[N@@H+](CCCN(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289418183 474262327 /nfs/dbraw/zinc/26/23/27/474262327.db2.gz ISFBNQGYQAMEPK-UHFFFAOYSA-N 1 3 340.475 2.632 20 30 EFEDHO CC1CCN(C(=[NH2+])NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000283804617 474499229 /nfs/dbraw/zinc/49/92/29/474499229.db2.gz AYFAQIJASHVUBZ-UHFFFAOYSA-N 1 3 344.503 2.706 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563714 474577406 /nfs/dbraw/zinc/57/74/06/474577406.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563714 474577411 /nfs/dbraw/zinc/57/74/11/474577411.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290563714 474577417 /nfs/dbraw/zinc/57/74/17/474577417.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290563714 474577422 /nfs/dbraw/zinc/57/74/22/474577422.db2.gz SNKGCLHOJRRSLO-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478477 474656151 /nfs/dbraw/zinc/65/61/51/474656151.db2.gz KJNHDUTWLHBTLS-IRXDYDNUSA-N 1 3 331.460 2.740 20 30 EFEDHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478477 474656154 /nfs/dbraw/zinc/65/61/54/474656154.db2.gz KJNHDUTWLHBTLS-IRXDYDNUSA-N 1 3 331.460 2.740 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000341111045 474983745 /nfs/dbraw/zinc/98/37/45/474983745.db2.gz VRPOSRDFLYFNJA-LJQANCHMSA-N 1 3 348.535 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000341111045 474983753 /nfs/dbraw/zinc/98/37/53/474983753.db2.gz VRPOSRDFLYFNJA-LJQANCHMSA-N 1 3 348.535 2.591 20 30 EFEDHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280918877 475056911 /nfs/dbraw/zinc/05/69/11/475056911.db2.gz ODJZVFYBKIRMEC-OALUTQOASA-N 1 3 338.455 2.621 20 30 EFEDHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280918877 475056917 /nfs/dbraw/zinc/05/69/17/475056917.db2.gz ODJZVFYBKIRMEC-OALUTQOASA-N 1 3 338.455 2.621 20 30 EFEDHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280920809 475058543 /nfs/dbraw/zinc/05/85/43/475058543.db2.gz ODJZVFYBKIRMEC-RBUKOAKNSA-N 1 3 338.455 2.621 20 30 EFEDHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280920809 475058548 /nfs/dbraw/zinc/05/85/48/475058548.db2.gz ODJZVFYBKIRMEC-RBUKOAKNSA-N 1 3 338.455 2.621 20 30 EFEDHO C[NH+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280967480 475059234 /nfs/dbraw/zinc/05/92/34/475059234.db2.gz YTRZQKVWKXESMB-FQEVSTJZSA-N 1 3 346.434 2.619 20 30 EFEDHO CCC[NH+](CCC)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280996487 475061933 /nfs/dbraw/zinc/06/19/33/475061933.db2.gz TZAZYIINKMKUSN-IBGZPJMESA-N 1 3 340.471 2.869 20 30 EFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)CNC2)C(C)C ZINC000347552118 475322817 /nfs/dbraw/zinc/32/28/17/475322817.db2.gz LBAQOWOQCAPWSN-LJQANCHMSA-N 1 3 327.472 2.718 20 30 EFEDHO C[NH+](C)Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000349428865 475967364 /nfs/dbraw/zinc/96/73/64/475967364.db2.gz PAYMJVLRJUKLKJ-FQEVSTJZSA-N 1 3 346.434 2.619 20 30 EFEDHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000347011104 476030600 /nfs/dbraw/zinc/03/06/00/476030600.db2.gz IVENKFAQFMHVTL-MRXNPFEDSA-N 1 3 344.503 2.615 20 30 EFEDHO C[C@H]1C[NH+](CC2CCN(Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000363642745 476473334 /nfs/dbraw/zinc/47/33/34/476473334.db2.gz DWOSQRFMASVTOU-IRXDYDNUSA-N 1 3 327.472 2.879 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430968159 476953959 /nfs/dbraw/zinc/95/39/59/476953959.db2.gz XGFHPGFGOXXVIF-LSDHHAIUSA-N 1 3 335.517 2.710 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000423277204 476981334 /nfs/dbraw/zinc/98/13/34/476981334.db2.gz NXBMVOCICJSHOR-QUCCMNQESA-N 1 3 326.488 2.630 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000417067442 477443615 /nfs/dbraw/zinc/44/36/15/477443615.db2.gz ROONLZPYFMFBDC-OKZBNKHCSA-N 1 3 336.524 2.596 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000420986086 477881333 /nfs/dbraw/zinc/88/13/33/477881333.db2.gz XQVSJSHNXWPGAF-UHFFFAOYSA-N 1 3 344.478 2.689 20 30 EFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000561092093 478151044 /nfs/dbraw/zinc/15/10/44/478151044.db2.gz UICDPIIURIGZND-UHFFFAOYSA-N 1 3 340.471 2.693 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000562988656 478403860 /nfs/dbraw/zinc/40/38/60/478403860.db2.gz AECONDRSTCNBAN-CEXWTWQISA-N 1 3 332.488 2.617 20 30 EFEDHO CC1(C#N)CCC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000570912640 478477866 /nfs/dbraw/zinc/47/78/66/478477866.db2.gz BIIKIVTZXUDUKL-IOJLRTSASA-N 1 3 327.472 2.815 20 30 EFEDHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598727514 478992785 /nfs/dbraw/zinc/99/27/85/478992785.db2.gz JCEROTYNCZWZIW-KRWDZBQOSA-N 1 3 345.487 2.550 20 30 EFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000601967078 479099989 /nfs/dbraw/zinc/09/99/89/479099989.db2.gz HRUKNLIEXHEVQL-NZSAHSFTSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC(C)(C)C#N ZINC000601967078 479099997 /nfs/dbraw/zinc/09/99/97/479099997.db2.gz HRUKNLIEXHEVQL-NZSAHSFTSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC(C)(C)C#N ZINC000601967078 479100004 /nfs/dbraw/zinc/10/00/04/479100004.db2.gz HRUKNLIEXHEVQL-NZSAHSFTSA-N 1 3 329.488 2.645 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)c1 ZINC000593324590 479296922 /nfs/dbraw/zinc/29/69/22/479296922.db2.gz XUULFBARZJGICY-QUCCMNQESA-N 1 3 326.488 2.630 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)c1 ZINC000593324591 479296939 /nfs/dbraw/zinc/29/69/39/479296939.db2.gz XUULFBARZJGICY-UYAOXDASSA-N 1 3 326.488 2.630 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390957 479366060 /nfs/dbraw/zinc/36/60/60/479366060.db2.gz XMYHBPYEVTVVSM-NRFANRHFSA-N 1 3 340.515 2.943 20 30 EFEDHO C[C@@H](CCC#N)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665643 479460864 /nfs/dbraw/zinc/46/08/64/479460864.db2.gz WNTAIQUQIIKZQJ-FPOVZHCZSA-N 1 3 340.515 2.818 20 30 EFEDHO C[C@@H](CCC#N)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665643 479460869 /nfs/dbraw/zinc/46/08/69/479460869.db2.gz WNTAIQUQIIKZQJ-FPOVZHCZSA-N 1 3 340.515 2.818 20 30 EFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597054445 479551664 /nfs/dbraw/zinc/55/16/64/479551664.db2.gz ZCZZJXSGTVJWRC-GOSISDBHSA-N 1 3 348.535 2.725 20 30 EFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597054445 479551672 /nfs/dbraw/zinc/55/16/72/479551672.db2.gz ZCZZJXSGTVJWRC-GOSISDBHSA-N 1 3 348.535 2.725 20 30 EFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c(s1)CCNC2)C(C)C ZINC000662380680 481771693 /nfs/dbraw/zinc/77/16/93/481771693.db2.gz NYKLAUSMIBOKEI-INIZCTEOSA-N 1 3 347.528 2.822 20 30 EFEDHO C[C@H]1C[NH+](CCC2CCN(Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191430300 533926996 /nfs/dbraw/zinc/92/69/96/533926996.db2.gz BNKBVVUSYBLRBZ-IRXDYDNUSA-N 1 3 344.503 2.608 20 30 EFEDHO C=CCc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000357050179 534412483 /nfs/dbraw/zinc/41/24/83/534412483.db2.gz LVOMKBAGMCNCHV-SFHVURJKSA-N 1 3 330.472 2.951 20 30 EFEDHO C=CCN1CCC([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000177907458 526454992 /nfs/dbraw/zinc/45/49/92/526454992.db2.gz CISVKEGFAYCDIX-QGZVFWFLSA-N 1 3 331.504 2.928 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175739792 526589156 /nfs/dbraw/zinc/58/91/56/526589156.db2.gz INYFJPZHEVMUNV-UHFFFAOYSA-N 1 3 348.535 2.733 20 30 EFEDHO CCCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557806 528254618 /nfs/dbraw/zinc/25/46/18/528254618.db2.gz GUPVJUSAYTWZAZ-FQEVSTJZSA-N 1 3 340.515 2.844 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262690491 535548804 /nfs/dbraw/zinc/54/88/04/535548804.db2.gz CDLLVLGGCQPKIT-DVOMOZLQSA-N 1 3 338.858 2.724 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000262461706 535597461 /nfs/dbraw/zinc/59/74/61/535597461.db2.gz MPMRZUJYLHQTLZ-XIRDDKMYSA-N 1 3 334.895 2.975 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCCC)CC1 ZINC001089733858 1252327688 /nfs/dbraw/zinc/32/76/88/1252327688.db2.gz BBSAQNCGPLMQDW-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCCC)CC1 ZINC001089733858 1252327695 /nfs/dbraw/zinc/32/76/95/1252327695.db2.gz BBSAQNCGPLMQDW-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(C)C)CC1 ZINC001089733910 1252327834 /nfs/dbraw/zinc/32/78/34/1252327834.db2.gz CHECQQMFOPGBEX-IBGZPJMESA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(C)C)CC1 ZINC001089733910 1252327841 /nfs/dbraw/zinc/32/78/41/1252327841.db2.gz CHECQQMFOPGBEX-IBGZPJMESA-N 1 3 347.547 2.594 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996673755 1255705690 /nfs/dbraw/zinc/70/56/90/1255705690.db2.gz SFCSERDJZDHEOS-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000997006500 1256668697 /nfs/dbraw/zinc/66/86/97/1256668697.db2.gz MHIMYTZATLESNK-KRWDZBQOSA-N 1 3 345.890 2.532 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997386126 1257560589 /nfs/dbraw/zinc/56/05/89/1257560589.db2.gz JRQQESQEZDYPAA-QUCCMNQESA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997386126 1257560593 /nfs/dbraw/zinc/56/05/93/1257560593.db2.gz JRQQESQEZDYPAA-QUCCMNQESA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997430768 1257596070 /nfs/dbraw/zinc/59/60/70/1257596070.db2.gz IVTBTUBWZGJGEN-QGZVFWFLSA-N 1 3 341.499 2.602 20 30 EFEDHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001168595679 1258378547 /nfs/dbraw/zinc/37/85/47/1258378547.db2.gz NZRMFPKGCGQMCS-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001168595649 1258378591 /nfs/dbraw/zinc/37/85/91/1258378591.db2.gz NNSQNGGEFZSMOA-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997828517 1258502152 /nfs/dbraw/zinc/50/21/52/1258502152.db2.gz JRQQESQEZDYPAA-ICSRJNTNSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997828517 1258502157 /nfs/dbraw/zinc/50/21/57/1258502157.db2.gz JRQQESQEZDYPAA-ICSRJNTNSA-N 1 3 347.547 2.881 20 30 EFEDHO C=CC[NH+]1CCC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997872394 1258556598 /nfs/dbraw/zinc/55/65/98/1258556598.db2.gz VZKKHTSITSNNDY-INIZCTEOSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000998152105 1259166988 /nfs/dbraw/zinc/16/69/88/1259166988.db2.gz XVKCDDRQVXQFOA-FQEVSTJZSA-N 1 3 341.499 2.698 20 30 EFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629943 1259443866 /nfs/dbraw/zinc/44/38/66/1259443866.db2.gz QZLJUCPOYPFLJO-PMACEKPBSA-N 1 3 341.499 2.656 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999506828 1260695132 /nfs/dbraw/zinc/69/51/32/1260695132.db2.gz SFVYYHURWNSANL-GPANFISMSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999506828 1260695139 /nfs/dbraw/zinc/69/51/39/1260695139.db2.gz SFVYYHURWNSANL-GPANFISMSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902377 1261662563 /nfs/dbraw/zinc/66/25/63/1261662563.db2.gz MWKZKGZRLKUQOM-HSALFYBXSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902377 1261662570 /nfs/dbraw/zinc/66/25/70/1261662570.db2.gz MWKZKGZRLKUQOM-HSALFYBXSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946902789 1261692678 /nfs/dbraw/zinc/69/26/78/1261692678.db2.gz ZCTGJZDLNIIVEQ-HDICACEKSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946902789 1261692687 /nfs/dbraw/zinc/69/26/87/1261692687.db2.gz ZCTGJZDLNIIVEQ-HDICACEKSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819414 1262362469 /nfs/dbraw/zinc/36/24/69/1262362469.db2.gz NAZFDFODXPQTNX-OALUTQOASA-N 1 3 341.499 2.955 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819306 1262362514 /nfs/dbraw/zinc/36/25/14/1262362514.db2.gz LSZFOEUROKZEGP-OALUTQOASA-N 1 3 341.499 2.955 20 30 EFEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078820653 1262365491 /nfs/dbraw/zinc/36/54/91/1262365491.db2.gz YLMQPGMKNOCQEF-MSOLQXFVSA-N 1 3 327.472 2.565 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545570 1263658422 /nfs/dbraw/zinc/65/84/22/1263658422.db2.gz QWXYVPYFKYTNPH-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545570 1263658430 /nfs/dbraw/zinc/65/84/30/1263658430.db2.gz QWXYVPYFKYTNPH-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101706 1265146380 /nfs/dbraw/zinc/14/63/80/1265146380.db2.gz ZYAXIOGTHMSBMX-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101706 1265146385 /nfs/dbraw/zinc/14/63/85/1265146385.db2.gz ZYAXIOGTHMSBMX-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101705 1265146768 /nfs/dbraw/zinc/14/67/68/1265146768.db2.gz ZYAXIOGTHMSBMX-AABGKKOBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101705 1265146774 /nfs/dbraw/zinc/14/67/74/1265146774.db2.gz ZYAXIOGTHMSBMX-AABGKKOBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004377032 1266823386 /nfs/dbraw/zinc/82/33/86/1266823386.db2.gz XTOXGOSLLGVJTL-RTBURBONSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004377032 1266823398 /nfs/dbraw/zinc/82/33/98/1266823398.db2.gz XTOXGOSLLGVJTL-RTBURBONSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085254204 1266943538 /nfs/dbraw/zinc/94/35/38/1266943538.db2.gz VPLUONNUAGHFMN-BRWVUGGUSA-N 1 3 341.927 2.876 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085254204 1266943540 /nfs/dbraw/zinc/94/35/40/1266943540.db2.gz VPLUONNUAGHFMN-BRWVUGGUSA-N 1 3 341.927 2.876 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085306974 1267106184 /nfs/dbraw/zinc/10/61/84/1267106184.db2.gz ZKWUHBYRHBVELH-BRWVUGGUSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085306974 1267106189 /nfs/dbraw/zinc/10/61/89/1267106189.db2.gz ZKWUHBYRHBVELH-BRWVUGGUSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547658 1267270412 /nfs/dbraw/zinc/27/04/12/1267270412.db2.gz PBFIPEROJNYEGY-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547658 1267270421 /nfs/dbraw/zinc/27/04/21/1267270421.db2.gz PBFIPEROJNYEGY-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004540093 1267283295 /nfs/dbraw/zinc/28/32/95/1267283295.db2.gz BIWVFOKBEFBWKA-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004540093 1267283305 /nfs/dbraw/zinc/28/33/05/1267283305.db2.gz BIWVFOKBEFBWKA-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004618528 1267412784 /nfs/dbraw/zinc/41/27/84/1267412784.db2.gz FRSTVPVHXMFRND-WOJBJXKFSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004618528 1267412789 /nfs/dbraw/zinc/41/27/89/1267412789.db2.gz FRSTVPVHXMFRND-WOJBJXKFSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808330 1268775027 /nfs/dbraw/zinc/77/50/27/1268775027.db2.gz ORVDOABGLAOQKZ-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808330 1268775036 /nfs/dbraw/zinc/77/50/36/1268775036.db2.gz ORVDOABGLAOQKZ-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946809217 1268792345 /nfs/dbraw/zinc/79/23/45/1268792345.db2.gz ZFXANSCNFQTXCE-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946809217 1268792350 /nfs/dbraw/zinc/79/23/50/1268792350.db2.gz ZFXANSCNFQTXCE-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832406 1270294590 /nfs/dbraw/zinc/29/45/90/1270294590.db2.gz FGHUFYMMULJUAC-UYAOXDASSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832406 1270294602 /nfs/dbraw/zinc/29/46/02/1270294602.db2.gz FGHUFYMMULJUAC-UYAOXDASSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086250854 1270681211 /nfs/dbraw/zinc/68/12/11/1270681211.db2.gz POCLEROIXJGBQB-BBWFWOEESA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250854 1270681220 /nfs/dbraw/zinc/68/12/20/1270681220.db2.gz POCLEROIXJGBQB-BBWFWOEESA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955285 1270688018 /nfs/dbraw/zinc/68/80/18/1270688018.db2.gz XVYXWXAMGBJZEG-FQEVSTJZSA-N 1 3 343.515 2.903 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387468 1271245801 /nfs/dbraw/zinc/24/58/01/1271245801.db2.gz GAZFDHMUWWDXRM-ZOBUZTSGSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387468 1271245809 /nfs/dbraw/zinc/24/58/09/1271245809.db2.gz GAZFDHMUWWDXRM-ZOBUZTSGSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478889 1272077739 /nfs/dbraw/zinc/07/77/39/1272077739.db2.gz PRRZZFDDIXQQAG-LJQANCHMSA-N 1 3 333.520 2.655 20 30 EFEDHO C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034479689 1272082201 /nfs/dbraw/zinc/08/22/01/1272082201.db2.gz APLOXTRDZXEVNM-OALUTQOASA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034479689 1272082209 /nfs/dbraw/zinc/08/22/09/1272082209.db2.gz APLOXTRDZXEVNM-OALUTQOASA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139421 1272700669 /nfs/dbraw/zinc/70/06/69/1272700669.db2.gz MNRLUHXBAOPFFY-UHZRXMQZSA-N 1 3 334.504 2.685 20 30 EFEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139421 1272700680 /nfs/dbraw/zinc/70/06/80/1272700680.db2.gz MNRLUHXBAOPFFY-UHZRXMQZSA-N 1 3 334.504 2.685 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)CC1 ZINC001034795787 1272979893 /nfs/dbraw/zinc/97/98/93/1272979893.db2.gz SMNDPZPIRVDDTH-MXVIHJGJSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764567 1273467596 /nfs/dbraw/zinc/46/75/96/1273467596.db2.gz PKVYZHZGFSXGBG-KSZLIROESA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035720107 1274406584 /nfs/dbraw/zinc/40/65/84/1274406584.db2.gz GHGOZETULRLERF-LJQANCHMSA-N 1 3 345.531 2.894 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035720107 1274406589 /nfs/dbraw/zinc/40/65/89/1274406589.db2.gz GHGOZETULRLERF-LJQANCHMSA-N 1 3 345.531 2.894 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810440 1274541362 /nfs/dbraw/zinc/54/13/62/1274541362.db2.gz LHSJHFKUBDRNHF-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCCCCC)C2 ZINC001112547302 1275113354 /nfs/dbraw/zinc/11/33/54/1275113354.db2.gz HIIYOMFAUUWCDQ-FPOVZHCZSA-N 1 3 347.547 2.740 20 30 EFEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112585660 1275309884 /nfs/dbraw/zinc/30/98/84/1275309884.db2.gz KSSPYQBZFOCEFX-BJLQDIEVSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586432 1275312020 /nfs/dbraw/zinc/31/20/20/1275312020.db2.gz YUMHJRGHEBBAEW-BJLQDIEVSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036302078 1275383344 /nfs/dbraw/zinc/38/33/44/1275383344.db2.gz HUJJMBNMHBDPOC-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO CC[C@H](C#N)Oc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000817918641 1276376494 /nfs/dbraw/zinc/37/64/94/1276376494.db2.gz LUZNELBQFNRJDS-ZACQAIPSSA-N 1 3 331.460 2.983 20 30 EFEDHO CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000817918640 1276377127 /nfs/dbraw/zinc/37/71/27/1276377127.db2.gz LUZNELBQFNRJDS-GVDBMIGSSA-N 1 3 331.460 2.983 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001005991031 1277339423 /nfs/dbraw/zinc/33/94/23/1277339423.db2.gz LSMGWGAMJVYTPM-UHFFFAOYSA-N 1 3 329.488 2.513 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068228 1279506218 /nfs/dbraw/zinc/50/62/18/1279506218.db2.gz GAZFDHMUWWDXRM-DQPZFDDXSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068228 1279506223 /nfs/dbraw/zinc/50/62/23/1279506223.db2.gz GAZFDHMUWWDXRM-DQPZFDDXSA-N 1 3 339.911 2.630 20 30 EFEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262669 1287384042 /nfs/dbraw/zinc/38/40/42/1287384042.db2.gz JMWAUZLXGFWQCF-QAPCUYQASA-N 1 3 327.488 2.650 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175272701 1287387147 /nfs/dbraw/zinc/38/71/47/1287387147.db2.gz LNNICRJPWSCGFU-OAHLLOKOSA-N 1 3 329.916 2.735 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608695 1280950547 /nfs/dbraw/zinc/95/05/47/1280950547.db2.gz ASCHSNMHQOSFMI-IAGOWNOFSA-N 1 3 347.547 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610113 1280951404 /nfs/dbraw/zinc/95/14/04/1280951404.db2.gz HEOIZFHORZQVFR-OALUTQOASA-N 1 3 347.547 2.951 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613626 1280952169 /nfs/dbraw/zinc/95/21/69/1280952169.db2.gz ULZKVJKLFJUTST-DLBZAZTESA-N 1 3 335.536 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613693 1280952456 /nfs/dbraw/zinc/95/24/56/1280952456.db2.gz UPBNRSHUSXSBPB-MSOLQXFVSA-N 1 3 347.547 2.785 20 30 EFEDHO N#Cc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170522163 1281286075 /nfs/dbraw/zinc/28/60/75/1281286075.db2.gz ASRWUEXMXFVKOM-UHFFFAOYSA-N 1 3 345.450 2.863 20 30 EFEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148286798 1281494374 /nfs/dbraw/zinc/49/43/74/1281494374.db2.gz ZJSGQGRPKKKROA-SFHVURJKSA-N 1 3 335.536 2.975 20 30 EFEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148286798 1281494380 /nfs/dbraw/zinc/49/43/80/1281494380.db2.gz ZJSGQGRPKKKROA-SFHVURJKSA-N 1 3 335.536 2.975 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834049 1281759324 /nfs/dbraw/zinc/75/93/24/1281759324.db2.gz UMRJVCSCMGEDFQ-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834049 1281759333 /nfs/dbraw/zinc/75/93/33/1281759333.db2.gz UMRJVCSCMGEDFQ-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834050 1281760604 /nfs/dbraw/zinc/76/06/04/1281760604.db2.gz UMRJVCSCMGEDFQ-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834050 1281760605 /nfs/dbraw/zinc/76/06/05/1281760605.db2.gz UMRJVCSCMGEDFQ-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086881933 1281871116 /nfs/dbraw/zinc/87/11/16/1281871116.db2.gz RTVLIIUWVJZLPZ-MAUKXSAKSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086881744 1281871483 /nfs/dbraw/zinc/87/14/83/1281871483.db2.gz JWPDKHAKBGVEHC-QFBILLFUSA-N 1 3 329.488 2.812 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086910359 1281913185 /nfs/dbraw/zinc/91/31/85/1281913185.db2.gz RQJLFXRMVIIYMF-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086926929 1281948709 /nfs/dbraw/zinc/94/87/09/1281948709.db2.gz NUKKKJULCCMMRC-QGZVFWFLSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942393 1281972707 /nfs/dbraw/zinc/97/27/07/1281972707.db2.gz PQUBENDNOBEBQI-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092299859 1282547350 /nfs/dbraw/zinc/54/73/50/1282547350.db2.gz KDZDIFZQCLCZPA-NQIIRXRSSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092299859 1282547357 /nfs/dbraw/zinc/54/73/57/1282547357.db2.gz KDZDIFZQCLCZPA-NQIIRXRSSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717702 1283223877 /nfs/dbraw/zinc/22/38/77/1283223877.db2.gz ZUOWSADULDYTPZ-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717702 1283223883 /nfs/dbraw/zinc/22/38/83/1283223883.db2.gz ZUOWSADULDYTPZ-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717699 1283224317 /nfs/dbraw/zinc/22/43/17/1283224317.db2.gz ZUOWSADULDYTPZ-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717699 1283224321 /nfs/dbraw/zinc/22/43/21/1283224321.db2.gz ZUOWSADULDYTPZ-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120800 1283263285 /nfs/dbraw/zinc/26/32/85/1283263285.db2.gz NZNCZYCCNIQWOU-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120800 1283263295 /nfs/dbraw/zinc/26/32/95/1283263295.db2.gz NZNCZYCCNIQWOU-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519518 1283782534 /nfs/dbraw/zinc/78/25/34/1283782534.db2.gz ZYRIGRWNDJBUKQ-QUCCMNQESA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519518 1283782546 /nfs/dbraw/zinc/78/25/46/1283782546.db2.gz ZYRIGRWNDJBUKQ-QUCCMNQESA-N 1 3 347.547 2.881 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361540 1283783253 /nfs/dbraw/zinc/78/32/53/1283783253.db2.gz LPWXWOZHGXZKQG-RBUKOAKNSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361540 1283783262 /nfs/dbraw/zinc/78/32/62/1283783262.db2.gz LPWXWOZHGXZKQG-RBUKOAKNSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036854183 1284330538 /nfs/dbraw/zinc/33/05/38/1284330538.db2.gz HNQUTXORERSIAI-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036854183 1284330545 /nfs/dbraw/zinc/33/05/45/1284330545.db2.gz HNQUTXORERSIAI-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135913 1284850648 /nfs/dbraw/zinc/85/06/48/1284850648.db2.gz ZCSZENIWLIIJNL-DLBZAZTESA-N 1 3 332.492 2.773 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135710 1284850946 /nfs/dbraw/zinc/85/09/46/1284850946.db2.gz VTOVGLFIPGSHMU-IAGOWNOFSA-N 1 3 334.508 2.997 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135914 1284851063 /nfs/dbraw/zinc/85/10/63/1284851063.db2.gz ZCSZENIWLIIJNL-IAGOWNOFSA-N 1 3 332.492 2.773 20 30 EFEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133185464 1284950197 /nfs/dbraw/zinc/95/01/97/1284950197.db2.gz DJOBOHXDTRFQAQ-OALUTQOASA-N 1 3 335.536 2.596 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194935 1284972196 /nfs/dbraw/zinc/97/21/96/1284972196.db2.gz NEMNJMLTFCMRQO-RDJZCZTQSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194476 1284972214 /nfs/dbraw/zinc/97/22/14/1284972214.db2.gz GJYCGWDQKJVBDF-RTBURBONSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133196181 1284974022 /nfs/dbraw/zinc/97/40/22/1284974022.db2.gz TXZYGVWGZREOBS-RTBURBONSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413622 1285037407 /nfs/dbraw/zinc/03/74/07/1285037407.db2.gz GOPFEEIJNFKTDT-QWFCFKBJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413622 1285037412 /nfs/dbraw/zinc/03/74/12/1285037412.db2.gz GOPFEEIJNFKTDT-QWFCFKBJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902696 1285382137 /nfs/dbraw/zinc/38/21/37/1285382137.db2.gz OCPIGHYPOXJZPE-UXHICEINSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902696 1285382144 /nfs/dbraw/zinc/38/21/44/1285382144.db2.gz OCPIGHYPOXJZPE-UXHICEINSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902697 1285383428 /nfs/dbraw/zinc/38/34/28/1285383428.db2.gz OCPIGHYPOXJZPE-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902697 1285383439 /nfs/dbraw/zinc/38/34/39/1285383439.db2.gz OCPIGHYPOXJZPE-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N)N(C)C ZINC001171508582 1285615982 /nfs/dbraw/zinc/61/59/82/1285615982.db2.gz GIMHPVUNUDITCU-VQIMIIECSA-N 1 3 344.503 2.663 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086716638 1286281246 /nfs/dbraw/zinc/28/12/46/1286281246.db2.gz KGHOZHHDTWDKIF-GVDBMIGSSA-N 1 3 341.927 2.591 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716638 1286281256 /nfs/dbraw/zinc/28/12/56/1286281256.db2.gz KGHOZHHDTWDKIF-GVDBMIGSSA-N 1 3 341.927 2.591 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772759 1287170454 /nfs/dbraw/zinc/17/04/54/1287170454.db2.gz HJQWLZDMYBWAIL-ROUUACIJSA-N 1 3 343.515 2.641 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774258 1287171112 /nfs/dbraw/zinc/17/11/12/1287171112.db2.gz WWPJSWQRVWOBFT-JKSUJKDBSA-N 1 3 344.503 2.661 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773688 1287171723 /nfs/dbraw/zinc/17/17/23/1287171723.db2.gz QLKQSZXOTSNQSV-HOTGVXAUSA-N 1 3 344.503 2.661 20 30 EFEDHO C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CCC ZINC001176278872 1287920776 /nfs/dbraw/zinc/92/07/76/1287920776.db2.gz JUGUYSRLDYQEAB-AWEZNQCLSA-N 1 3 348.329 2.501 20 30 EFEDHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176279663 1287921435 /nfs/dbraw/zinc/92/14/35/1287921435.db2.gz PBEVJHARKCZQRL-QGZVFWFLSA-N 1 3 344.503 2.665 20 30 EFEDHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176284775 1287923616 /nfs/dbraw/zinc/92/36/16/1287923616.db2.gz KASNGEHGKVWSKG-QGZVFWFLSA-N 1 3 344.503 2.665 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001176737080 1288087506 /nfs/dbraw/zinc/08/75/06/1288087506.db2.gz HGPGDJDNPUBISL-ROUUACIJSA-N 1 3 335.536 2.642 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001176737081 1288087983 /nfs/dbraw/zinc/08/79/83/1288087983.db2.gz HGPGDJDNPUBISL-ZWKOTPCHSA-N 1 3 335.536 2.642 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC2CCCC2)CC1 ZINC001176738145 1288088939 /nfs/dbraw/zinc/08/89/39/1288088939.db2.gz PCOVMPGNKYIGKB-SFHVURJKSA-N 1 3 347.547 2.786 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+][C@H](C)CCC=C)CC1 ZINC001176738342 1288089187 /nfs/dbraw/zinc/08/91/87/1288089187.db2.gz QTAOSQSXSXNUKJ-MOPGFXCFSA-N 1 3 347.547 2.951 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCCC)CC1 ZINC001176738239 1288089318 /nfs/dbraw/zinc/08/93/18/1288089318.db2.gz PUACUNGLRRHJKS-SFHVURJKSA-N 1 3 335.536 2.786 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCCC=C)CC1 ZINC001176738227 1288089465 /nfs/dbraw/zinc/08/94/65/1288089465.db2.gz PTSPGZSBPKDJLG-SFHVURJKSA-N 1 3 333.520 2.562 20 30 EFEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCCC1 ZINC001177317478 1288385737 /nfs/dbraw/zinc/38/57/37/1288385737.db2.gz XMJRKSWYXNOUIU-UHFFFAOYSA-N 1 3 347.547 2.883 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1CCC ZINC001177336005 1288396667 /nfs/dbraw/zinc/39/66/67/1288396667.db2.gz PPOVBIXKTRAOBA-FQEVSTJZSA-N 1 3 347.547 2.883 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N(C)CC ZINC001177352765 1288415242 /nfs/dbraw/zinc/41/52/42/1288415242.db2.gz LDAGHSXOWBFWGT-UHFFFAOYSA-N 1 3 335.536 2.739 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CC(C)(C)C ZINC001177416203 1288424880 /nfs/dbraw/zinc/42/48/80/1288424880.db2.gz VQRMHNYMTDVXIR-UHFFFAOYSA-N 1 3 349.563 2.986 20 30 EFEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001177433440 1288438710 /nfs/dbraw/zinc/43/87/10/1288438710.db2.gz GBKLNUKWQSEMDR-FQEVSTJZSA-N 1 3 347.547 2.881 20 30 EFEDHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001179846607 1289284504 /nfs/dbraw/zinc/28/45/04/1289284504.db2.gz OXEJQWKSLCZFER-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926857 1312705800 /nfs/dbraw/zinc/70/58/00/1312705800.db2.gz GZBZTTWZCAVCDG-INIZCTEOSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926857 1312705804 /nfs/dbraw/zinc/70/58/04/1312705804.db2.gz GZBZTTWZCAVCDG-INIZCTEOSA-N 1 3 341.927 2.735 20 30 EFEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180203967 1289442762 /nfs/dbraw/zinc/44/27/62/1289442762.db2.gz FASURWOJEMLIFN-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)CN(CC)CC ZINC001171061069 1289735747 /nfs/dbraw/zinc/73/57/47/1289735747.db2.gz QCEXPQNOJIUHDK-HUUCEWRRSA-N 1 3 335.895 2.683 20 30 EFEDHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000719925776 1289931707 /nfs/dbraw/zinc/93/17/07/1289931707.db2.gz PWVDWGJCFDYRDX-RTBURBONSA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000719925776 1289931711 /nfs/dbraw/zinc/93/17/11/1289931711.db2.gz PWVDWGJCFDYRDX-RTBURBONSA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000719925776 1289931713 /nfs/dbraw/zinc/93/17/13/1289931713.db2.gz PWVDWGJCFDYRDX-RTBURBONSA-N 1 3 342.487 2.521 20 30 EFEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736225 1289938751 /nfs/dbraw/zinc/93/87/51/1289938751.db2.gz KITJDSFUUDOLTA-FUHIMQAGSA-N 1 3 335.536 2.900 20 30 EFEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662516 1290784416 /nfs/dbraw/zinc/78/44/16/1290784416.db2.gz LNUDMDXLLOWQEN-PIIMJCKOSA-N 1 3 335.536 2.878 20 30 EFEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662516 1290784422 /nfs/dbraw/zinc/78/44/22/1290784422.db2.gz LNUDMDXLLOWQEN-PIIMJCKOSA-N 1 3 335.536 2.878 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776471 1291019401 /nfs/dbraw/zinc/01/94/01/1291019401.db2.gz NXHCDPDIJLCZQU-QZTJIDSGSA-N 1 3 349.906 2.827 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776471 1291019410 /nfs/dbraw/zinc/01/94/10/1291019410.db2.gz NXHCDPDIJLCZQU-QZTJIDSGSA-N 1 3 349.906 2.827 20 30 EFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188086045 1291308821 /nfs/dbraw/zinc/30/88/21/1291308821.db2.gz WVDRIXVQJFODGN-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957602839 1291853701 /nfs/dbraw/zinc/85/37/01/1291853701.db2.gz HSUUFHQPPAAASY-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605899 1291860048 /nfs/dbraw/zinc/86/00/48/1291860048.db2.gz OUIYNEWIHDNARQ-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049466107 1312890755 /nfs/dbraw/zinc/89/07/55/1312890755.db2.gz ZJIGYAJHNNDEJJ-IPMKNSEASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049466107 1312890757 /nfs/dbraw/zinc/89/07/57/1312890757.db2.gz ZJIGYAJHNNDEJJ-IPMKNSEASA-N 1 3 333.520 2.891 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001190317083 1292104769 /nfs/dbraw/zinc/10/47/69/1292104769.db2.gz CLUCGERMAXDJNL-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001190317083 1292104771 /nfs/dbraw/zinc/10/47/71/1292104771.db2.gz CLUCGERMAXDJNL-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428326 1312922717 /nfs/dbraw/zinc/92/27/17/1312922717.db2.gz XXVGGYHKVAJPGE-DLBZAZTESA-N 1 3 335.536 2.948 20 30 EFEDHO C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507577 1312941447 /nfs/dbraw/zinc/94/14/47/1312941447.db2.gz SXUMLPMDHGBMNM-QZTJIDSGSA-N 1 3 333.520 2.539 20 30 EFEDHO CC#CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508573 1312941888 /nfs/dbraw/zinc/94/18/88/1312941888.db2.gz ZDYGIRCZLNVWAB-ROUUACIJSA-N 1 3 333.520 2.539 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203782302 1313013212 /nfs/dbraw/zinc/01/32/12/1313013212.db2.gz MZNKGZRGIOYUFH-HOTGVXAUSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016860492 1313015040 /nfs/dbraw/zinc/01/50/40/1313015040.db2.gz IHTNZPIFLWQEST-QZTJIDSGSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016922984 1313044060 /nfs/dbraw/zinc/04/40/60/1313044060.db2.gz GTHPZZIQDRQFFW-RBUKOAKNSA-N 1 3 345.531 2.635 20 30 EFEDHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(C#N)c(Cl)c1)CC2 ZINC001276435965 1313068057 /nfs/dbraw/zinc/06/80/57/1313068057.db2.gz HPJMSTDNTIISQC-UHFFFAOYSA-N 1 3 346.906 2.671 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccc(C)cc1 ZINC000303779881 1294579862 /nfs/dbraw/zinc/57/98/62/1294579862.db2.gz KXWFRUUDDPVUOW-QGZVFWFLSA-N 1 3 334.533 2.617 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)cc1OC ZINC000303893013 1294599321 /nfs/dbraw/zinc/59/93/21/1294599321.db2.gz NZHDDPJUCHFZMF-ZIAGYGMSSA-N 1 3 334.464 2.693 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640240 1313122090 /nfs/dbraw/zinc/12/20/90/1313122090.db2.gz UMRUXALXXLIOPL-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640240 1313122094 /nfs/dbraw/zinc/12/20/94/1313122094.db2.gz UMRUXALXXLIOPL-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCN[C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968539 1295366425 /nfs/dbraw/zinc/36/64/25/1295366425.db2.gz NLNPXVQCODIDLD-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)c1ccc(OC)cc1 ZINC000304750820 1295748838 /nfs/dbraw/zinc/74/88/38/1295748838.db2.gz ISKMERGLTOPGQF-NVXWUHKLSA-N 1 3 332.492 2.577 20 30 EFEDHO CCOc1cc(Cl)ccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000305179470 1295966959 /nfs/dbraw/zinc/96/69/59/1295966959.db2.gz BPJLDJGJPSQMPT-HNNXBMFYSA-N 1 3 338.883 2.627 20 30 EFEDHO CCSCC[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277914480 1313213546 /nfs/dbraw/zinc/21/35/46/1313213546.db2.gz VJKAOWBQTVSLLA-HDICACEKSA-N 1 3 346.544 2.794 20 30 EFEDHO CCSCC[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277914480 1313213549 /nfs/dbraw/zinc/21/35/49/1313213549.db2.gz VJKAOWBQTVSLLA-HDICACEKSA-N 1 3 346.544 2.794 20 30 EFEDHO C#Cc1ccc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)cc1 ZINC001275131429 1296238177 /nfs/dbraw/zinc/23/81/77/1296238177.db2.gz DONRBVNOJDGDDF-UHFFFAOYSA-N 1 3 334.467 2.879 20 30 EFEDHO CCCCCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235203928 1313262564 /nfs/dbraw/zinc/26/25/64/1313262564.db2.gz ABQWJJXQVVTAHD-UHFFFAOYSA-N 1 3 336.524 2.821 20 30 EFEDHO C=CCCCCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235205608 1313263560 /nfs/dbraw/zinc/26/35/60/1313263560.db2.gz OHRWIACPDBXLFP-UHFFFAOYSA-N 1 3 348.535 2.987 20 30 EFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1c1ccc(F)cc1 ZINC001205318402 1313269221 /nfs/dbraw/zinc/26/92/21/1313269221.db2.gz BTVGAKWJQQTRTM-RBUKOAKNSA-N 1 3 347.478 2.628 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205445898 1313290109 /nfs/dbraw/zinc/29/01/09/1313290109.db2.gz PJUKMMAKIJMSLA-RBUKOAKNSA-N 1 3 347.478 2.628 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452674 1313292207 /nfs/dbraw/zinc/29/22/07/1313292207.db2.gz NPBQMWRNUAEXEM-RBUKOAKNSA-N 1 3 347.478 2.628 20 30 EFEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339011 1313295855 /nfs/dbraw/zinc/29/58/55/1313295855.db2.gz WKQYDMPBCRWYMT-OALUTQOASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235339011 1313295859 /nfs/dbraw/zinc/29/58/59/1313295859.db2.gz WKQYDMPBCRWYMT-OALUTQOASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835541 1313365813 /nfs/dbraw/zinc/36/58/13/1313365813.db2.gz JSHWHSSQRRRVKG-OTWHNJEPSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835541 1313365818 /nfs/dbraw/zinc/36/58/18/1313365818.db2.gz JSHWHSSQRRRVKG-OTWHNJEPSA-N 1 3 333.520 2.892 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837742 1313369098 /nfs/dbraw/zinc/36/90/98/1313369098.db2.gz REMPXPIXSKZBBW-VAMGGRTRSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837742 1313369099 /nfs/dbraw/zinc/36/90/99/1313369099.db2.gz REMPXPIXSKZBBW-VAMGGRTRSA-N 1 3 345.531 2.730 20 30 EFEDHO [NH3+]C1CN([C@H]2CCCN(Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236076559 1313438584 /nfs/dbraw/zinc/43/85/84/1313438584.db2.gz BOARYJZUZZHPLL-QHCPKHFHSA-N 1 3 345.490 2.694 20 30 EFEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC001006444100 1298144387 /nfs/dbraw/zinc/14/43/87/1298144387.db2.gz RLVFTVDSHBVPCB-UHFFFAOYSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913487 1313475451 /nfs/dbraw/zinc/47/54/51/1313475451.db2.gz YKFWJEBVOROSSN-RTBURBONSA-N 1 3 327.472 2.613 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913487 1313475453 /nfs/dbraw/zinc/47/54/53/1313475453.db2.gz YKFWJEBVOROSSN-RTBURBONSA-N 1 3 327.472 2.613 20 30 EFEDHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961156611 1298222952 /nfs/dbraw/zinc/22/29/52/1298222952.db2.gz LGTQAWKEXPQKAG-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961156611 1298222961 /nfs/dbraw/zinc/22/29/61/1298222961.db2.gz LGTQAWKEXPQKAG-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961372295 1298636515 /nfs/dbraw/zinc/63/65/15/1298636515.db2.gz AVKAZQMIWOTQNL-VQTJNVASSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961372295 1298636526 /nfs/dbraw/zinc/63/65/26/1298636526.db2.gz AVKAZQMIWOTQNL-VQTJNVASSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961375032 1298640731 /nfs/dbraw/zinc/64/07/31/1298640731.db2.gz NZXYPMXTBLXRFQ-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961375032 1298640747 /nfs/dbraw/zinc/64/07/47/1298640747.db2.gz NZXYPMXTBLXRFQ-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961377576 1298649923 /nfs/dbraw/zinc/64/99/23/1298649923.db2.gz XNZMUJYKAXSIGW-PMACEKPBSA-N 1 3 347.547 2.547 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961377576 1298649936 /nfs/dbraw/zinc/64/99/36/1298649936.db2.gz XNZMUJYKAXSIGW-PMACEKPBSA-N 1 3 347.547 2.547 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412629 1298707842 /nfs/dbraw/zinc/70/78/42/1298707842.db2.gz UCPHZSAGVCOZFE-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412629 1298707852 /nfs/dbraw/zinc/70/78/52/1298707852.db2.gz UCPHZSAGVCOZFE-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC000961435357 1298743988 /nfs/dbraw/zinc/74/39/88/1298743988.db2.gz MIPGKKOHZSBISV-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC000961435357 1298743999 /nfs/dbraw/zinc/74/39/99/1298743999.db2.gz MIPGKKOHZSBISV-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001017835928 1313548269 /nfs/dbraw/zinc/54/82/69/1313548269.db2.gz VDKWHCCCNLWOGF-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017835928 1313548271 /nfs/dbraw/zinc/54/82/71/1313548271.db2.gz VDKWHCCCNLWOGF-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206949280 1313567060 /nfs/dbraw/zinc/56/70/60/1313567060.db2.gz XRRILHRPLFSPQJ-UHFFFAOYSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951278 1313568295 /nfs/dbraw/zinc/56/82/95/1313568295.db2.gz IVORAHOOSOQICQ-UHFFFAOYSA-N 1 3 329.488 2.766 20 30 EFEDHO C[NH+]1CCC(CN2CCN(Cc3cc(Cl)cc(C#N)c3)CC2)CC1 ZINC001237755514 1313702143 /nfs/dbraw/zinc/70/21/43/1313702143.db2.gz QEGYVSLKPUFOBZ-UHFFFAOYSA-N 1 3 346.906 2.671 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313536 1300574011 /nfs/dbraw/zinc/57/40/11/1300574011.db2.gz GCUIHVRUMCYGAZ-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313536 1300574015 /nfs/dbraw/zinc/57/40/15/1300574015.db2.gz GCUIHVRUMCYGAZ-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358194 1300679826 /nfs/dbraw/zinc/67/98/26/1300679826.db2.gz PCWNOXWQOREOTR-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358194 1300679830 /nfs/dbraw/zinc/67/98/30/1300679830.db2.gz PCWNOXWQOREOTR-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384582 1300742750 /nfs/dbraw/zinc/74/27/50/1300742750.db2.gz VHAFAMHRZVEINK-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384582 1300742761 /nfs/dbraw/zinc/74/27/61/1300742761.db2.gz VHAFAMHRZVEINK-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO N#Cc1ccc(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278166112 1313735093 /nfs/dbraw/zinc/73/50/93/1313735093.db2.gz FCXRDGOGVNLZMU-OYRHEFFESA-N 1 3 349.482 2.668 20 30 EFEDHO N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278166112 1313735097 /nfs/dbraw/zinc/73/50/97/1313735097.db2.gz FCXRDGOGVNLZMU-OYRHEFFESA-N 1 3 349.482 2.668 20 30 EFEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502222 1301644605 /nfs/dbraw/zinc/64/46/05/1301644605.db2.gz BMJVJHSZXPKCGN-IBGZPJMESA-N 1 3 339.499 2.746 20 30 EFEDHO C=CC[NH2+]C1CC2(CC(NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC000965933249 1303466866 /nfs/dbraw/zinc/46/68/66/1303466866.db2.gz VOAMRASVZMXJRO-UHFFFAOYSA-N 1 3 327.472 2.565 20 30 EFEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001037981409 1305576773 /nfs/dbraw/zinc/57/67/73/1305576773.db2.gz DXDLJSLZXOVZMV-IEBWSBKVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419531 1306289493 /nfs/dbraw/zinc/28/94/93/1306289493.db2.gz USGQTWFCRBUGML-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209263408 1314128120 /nfs/dbraw/zinc/12/81/20/1314128120.db2.gz KZOLPZAWPDRMAG-SFTDATJTSA-N 1 3 330.516 2.860 20 30 EFEDHO C#CCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209263408 1314128121 /nfs/dbraw/zinc/12/81/21/1314128121.db2.gz KZOLPZAWPDRMAG-SFTDATJTSA-N 1 3 330.516 2.860 20 30 EFEDHO C#CCCCN1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001209267119 1314128898 /nfs/dbraw/zinc/12/88/98/1314128898.db2.gz AOFQIUVFXYZCNK-UHFFFAOYSA-N 1 3 349.519 2.853 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672416 1306554726 /nfs/dbraw/zinc/55/47/26/1306554726.db2.gz CGRYDEKLAWNGQR-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672417 1306554951 /nfs/dbraw/zinc/55/49/51/1306554951.db2.gz CGRYDEKLAWNGQR-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683221 1306564857 /nfs/dbraw/zinc/56/48/57/1306564857.db2.gz ZVMWQJSLRWPNBL-MJGOQNOKSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683221 1306564861 /nfs/dbraw/zinc/56/48/61/1306564861.db2.gz ZVMWQJSLRWPNBL-MJGOQNOKSA-N 1 3 347.547 2.594 20 30 EFEDHO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC000968877317 1306749212 /nfs/dbraw/zinc/74/92/12/1306749212.db2.gz UARUYQGTROXCCA-KRWDZBQOSA-N 1 3 347.528 2.807 20 30 EFEDHO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC000968877317 1306749214 /nfs/dbraw/zinc/74/92/14/1306749214.db2.gz UARUYQGTROXCCA-KRWDZBQOSA-N 1 3 347.528 2.807 20 30 EFEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001045646131 1307498339 /nfs/dbraw/zinc/49/83/39/1307498339.db2.gz DTLXDWBCHMEUHQ-UHFFFAOYSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209644146 1314208667 /nfs/dbraw/zinc/20/86/67/1314208667.db2.gz ZBJMVGJKRKRWPA-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278199 1307956124 /nfs/dbraw/zinc/95/61/24/1307956124.db2.gz VZSHXZFSZAVFCT-HKUYNNGSSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278199 1307956127 /nfs/dbraw/zinc/95/61/27/1307956127.db2.gz VZSHXZFSZAVFCT-HKUYNNGSSA-N 1 3 333.520 2.940 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943064 1307956963 /nfs/dbraw/zinc/95/69/63/1307956963.db2.gz FVNCWNCWQVERRN-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943064 1307956965 /nfs/dbraw/zinc/95/69/65/1307956965.db2.gz FVNCWNCWQVERRN-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945162 1307962518 /nfs/dbraw/zinc/96/25/18/1307962518.db2.gz NUEVKUWBHCAZHS-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945162 1307962523 /nfs/dbraw/zinc/96/25/23/1307962523.db2.gz NUEVKUWBHCAZHS-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966977 1308023629 /nfs/dbraw/zinc/02/36/29/1308023629.db2.gz KMBFMIMUHVCAEH-FPOVZHCZSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966977 1308023635 /nfs/dbraw/zinc/02/36/35/1308023635.db2.gz KMBFMIMUHVCAEH-FPOVZHCZSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966978 1308024163 /nfs/dbraw/zinc/02/41/63/1308024163.db2.gz KMBFMIMUHVCAEH-PZJWPPBQSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966978 1308024168 /nfs/dbraw/zinc/02/41/68/1308024168.db2.gz KMBFMIMUHVCAEH-PZJWPPBQSA-N 1 3 347.547 2.999 20 30 EFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001045986538 1308088591 /nfs/dbraw/zinc/08/85/91/1308088591.db2.gz TXPRVDAGQOUYDE-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001045986538 1308088594 /nfs/dbraw/zinc/08/85/94/1308088594.db2.gz TXPRVDAGQOUYDE-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703212 1314311225 /nfs/dbraw/zinc/31/12/25/1314311225.db2.gz RGVXPKIVMJUJFF-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703212 1314311229 /nfs/dbraw/zinc/31/12/29/1314311229.db2.gz RGVXPKIVMJUJFF-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047244050 1310398939 /nfs/dbraw/zinc/39/89/39/1310398939.db2.gz PJGVSEAYLAHMSS-PMACEKPBSA-N 1 3 347.547 2.547 20 30 EFEDHO CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047253505 1310424314 /nfs/dbraw/zinc/42/43/14/1310424314.db2.gz AJTWHDJQAGBCFO-VQTJNVASSA-N 1 3 347.547 2.547 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047253633 1310424532 /nfs/dbraw/zinc/42/45/32/1310424532.db2.gz FCWJCCMBPKKZHC-RBUKOAKNSA-N 1 3 335.536 2.709 20 30 EFEDHO C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047254421 1310425974 /nfs/dbraw/zinc/42/59/74/1310425974.db2.gz PJGVSEAYLAHMSS-WOJBJXKFSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047257635 1310432920 /nfs/dbraw/zinc/43/29/20/1310432920.db2.gz SMKRDJNBHOMFGH-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848235 1311042331 /nfs/dbraw/zinc/04/23/31/1311042331.db2.gz FVSKSHQVVKRXCX-GUDVDZBRSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848235 1311042332 /nfs/dbraw/zinc/04/23/32/1311042332.db2.gz FVSKSHQVVKRXCX-GUDVDZBRSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001099490168 1311097235 /nfs/dbraw/zinc/09/72/35/1311097235.db2.gz QMTCGESUFOEAQA-NBYUQASBSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001099490168 1311097236 /nfs/dbraw/zinc/09/72/36/1311097236.db2.gz QMTCGESUFOEAQA-NBYUQASBSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001099490167 1311097353 /nfs/dbraw/zinc/09/73/53/1311097353.db2.gz QMTCGESUFOEAQA-LEAZDLGRSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001099490167 1311097356 /nfs/dbraw/zinc/09/73/56/1311097356.db2.gz QMTCGESUFOEAQA-LEAZDLGRSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489765 1311267916 /nfs/dbraw/zinc/26/79/16/1311267916.db2.gz VYDBHLPEVNHXDB-QRVBRYPASA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489765 1311267917 /nfs/dbraw/zinc/26/79/17/1311267917.db2.gz VYDBHLPEVNHXDB-QRVBRYPASA-N 1 3 335.536 2.996 20 30 EFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]21 ZINC001223901131 1311318558 /nfs/dbraw/zinc/31/85/58/1311318558.db2.gz RHNGQWKFWIBGOK-UXHICEINSA-N 1 3 347.547 2.835 20 30 EFEDHO C[NH+](C)CCC(C)(C)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001158760274 1311381617 /nfs/dbraw/zinc/38/16/17/1311381617.db2.gz NVMDCYBTUZVIQP-ZDUSSCGKSA-N 1 3 347.463 2.568 20 30 EFEDHO C=CCC[NH+]1CCC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224560599 1311407222 /nfs/dbraw/zinc/40/72/22/1311407222.db2.gz WMJGPBMVOKRIHF-LJQANCHMSA-N 1 3 339.499 2.603 20 30 EFEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913789 1311415707 /nfs/dbraw/zinc/41/57/07/1311415707.db2.gz DFVODYCSZOYHER-HXUWFJFHSA-N 1 3 341.499 2.698 20 30 EFEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913789 1311415709 /nfs/dbraw/zinc/41/57/09/1311415709.db2.gz DFVODYCSZOYHER-HXUWFJFHSA-N 1 3 341.499 2.698 20 30 EFEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCCC(C)C)CC2)CC1 ZINC001225563973 1311544268 /nfs/dbraw/zinc/54/42/68/1311544268.db2.gz OHUJJXAHKRQLIS-UHFFFAOYSA-N 1 3 347.547 2.596 20 30 EFEDHO C=CCCCCCCN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277160707 1311733356 /nfs/dbraw/zinc/73/33/56/1311733356.db2.gz VRCAPCZNJPAGJY-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C#C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)C(C)C ZINC001227164566 1311770666 /nfs/dbraw/zinc/77/06/66/1311770666.db2.gz KGMAUPIWABGWEF-FQEVSTJZSA-N 1 3 345.531 2.908 20 30 EFEDHO C=CCN1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160810660 1311786602 /nfs/dbraw/zinc/78/66/02/1311786602.db2.gz UGKVMIUAEUIUNM-UHFFFAOYSA-N 1 3 333.520 2.965 20 30 EFEDHO C=CCN1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160810660 1311786606 /nfs/dbraw/zinc/78/66/06/1311786606.db2.gz UGKVMIUAEUIUNM-UHFFFAOYSA-N 1 3 333.520 2.965 20 30 EFEDHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572230 1311919809 /nfs/dbraw/zinc/91/98/09/1311919809.db2.gz COFMLYRVJYZNPR-YRPNKDGESA-N 1 3 345.531 2.632 20 30 EFEDHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572230 1311919812 /nfs/dbraw/zinc/91/98/12/1311919812.db2.gz COFMLYRVJYZNPR-YRPNKDGESA-N 1 3 345.531 2.632 20 30 EFEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952334 1312011790 /nfs/dbraw/zinc/01/17/90/1312011790.db2.gz GPAILPUFEAJGJT-LJQANCHMSA-N 1 3 333.520 2.965 20 30 EFEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952334 1312011792 /nfs/dbraw/zinc/01/17/92/1312011792.db2.gz GPAILPUFEAJGJT-LJQANCHMSA-N 1 3 333.520 2.965 20 30 EFEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952975 1312012525 /nfs/dbraw/zinc/01/25/25/1312012525.db2.gz NPWJDCXDWJAEIZ-LJQANCHMSA-N 1 3 333.520 2.965 20 30 EFEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2CC)CC1 ZINC001161952975 1312012529 /nfs/dbraw/zinc/01/25/29/1312012529.db2.gz NPWJDCXDWJAEIZ-LJQANCHMSA-N 1 3 333.520 2.965 20 30 EFEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1CCCC ZINC001229615523 1312120166 /nfs/dbraw/zinc/12/01/66/1312120166.db2.gz NSFYULUXWDNGDT-GUDVDZBRSA-N 1 3 333.520 2.681 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048821420 1312165299 /nfs/dbraw/zinc/16/52/99/1312165299.db2.gz ZLOHXJCRPCVIMW-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048821420 1312165300 /nfs/dbraw/zinc/16/53/00/1312165300.db2.gz ZLOHXJCRPCVIMW-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162841096 1312187735 /nfs/dbraw/zinc/18/77/35/1312187735.db2.gz LRTKEFMYAYGFBT-LJQANCHMSA-N 1 3 331.504 2.564 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001162919370 1312204101 /nfs/dbraw/zinc/20/41/01/1312204101.db2.gz QSOGLKWSIGJDFW-HXUWFJFHSA-N 1 3 345.531 2.810 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001162928832 1312206104 /nfs/dbraw/zinc/20/61/04/1312206104.db2.gz OYZYSYXVLSTAHX-LJQANCHMSA-N 1 3 343.515 2.565 20 30 EFEDHO C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162934315 1312206580 /nfs/dbraw/zinc/20/65/80/1312206580.db2.gz AQHNRLRNULBTHA-FQEVSTJZSA-N 1 3 345.531 2.954 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001230256831 1312211404 /nfs/dbraw/zinc/21/14/04/1312211404.db2.gz BZBAZEUITJUCEK-HZPDHXFCSA-N 1 3 327.900 2.632 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537375 1312259862 /nfs/dbraw/zinc/25/98/62/1312259862.db2.gz FYWWRYJTNTXQSY-MOPGFXCFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537375 1312259864 /nfs/dbraw/zinc/25/98/64/1312259864.db2.gz FYWWRYJTNTXQSY-MOPGFXCFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610634 1312282092 /nfs/dbraw/zinc/28/20/92/1312282092.db2.gz FPYMELNDSLMVKR-KRWDZBQOSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610634 1312282093 /nfs/dbraw/zinc/28/20/93/1312282093.db2.gz FPYMELNDSLMVKR-KRWDZBQOSA-N 1 3 341.927 2.784 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618445 1312286352 /nfs/dbraw/zinc/28/63/52/1312286352.db2.gz ORHAHYVHLZNVFA-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618445 1312286363 /nfs/dbraw/zinc/28/63/63/1312286363.db2.gz ORHAHYVHLZNVFA-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783421 1312341541 /nfs/dbraw/zinc/34/15/41/1312341541.db2.gz IPTPWSUADLYDGI-LJQANCHMSA-N 1 3 346.519 2.696 20 30 EFEDHO C=CCCC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783421 1312341547 /nfs/dbraw/zinc/34/15/47/1312341547.db2.gz IPTPWSUADLYDGI-LJQANCHMSA-N 1 3 346.519 2.696 20 30 EFEDHO C=C(C)CC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230784042 1312342400 /nfs/dbraw/zinc/34/24/00/1312342400.db2.gz WCXJJHLNTIZCLO-LJQANCHMSA-N 1 3 346.519 2.696 20 30 EFEDHO C=C(C)CC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230784042 1312342403 /nfs/dbraw/zinc/34/24/03/1312342403.db2.gz WCXJJHLNTIZCLO-LJQANCHMSA-N 1 3 346.519 2.696 20 30 EFEDHO COC(C)(C)C[NH+]1CCC2(CCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277584604 1312584382 /nfs/dbraw/zinc/58/43/82/1312584382.db2.gz LUFULNSLECGEJA-UHFFFAOYSA-N 1 3 344.503 2.610 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052952012 1314511236 /nfs/dbraw/zinc/51/12/36/1314511236.db2.gz AEGLJKSSCUPWPU-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052952012 1314511242 /nfs/dbraw/zinc/51/12/42/1314511242.db2.gz AEGLJKSSCUPWPU-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958828 1314518266 /nfs/dbraw/zinc/51/82/66/1314518266.db2.gz PQTMOTYGRIWHPL-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958828 1314518271 /nfs/dbraw/zinc/51/82/71/1314518271.db2.gz PQTMOTYGRIWHPL-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO CCCCCCCCCCCC[C@@H](O)CNC[C@@H]1C[NH2+]CCN1 ZINC001246017196 1314567000 /nfs/dbraw/zinc/56/70/00/1314567000.db2.gz WVBHMADJPBTQNR-RBUKOAKNSA-N 1 3 327.557 2.809 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3CCN[C@@H](C)C3)cc(C#N)c21 ZINC001246329326 1314610768 /nfs/dbraw/zinc/61/07/68/1314610768.db2.gz VANDRVUWJUYAPG-CKFHNAJUSA-N 1 3 338.455 2.834 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)N[C@@H]3CC[NH2+][C@@H](C)C3)cc(C#N)c21 ZINC001246329326 1314610773 /nfs/dbraw/zinc/61/07/73/1314610773.db2.gz VANDRVUWJUYAPG-CKFHNAJUSA-N 1 3 338.455 2.834 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3CCN[C@H](C)C3)cc(C#N)c21 ZINC001246329323 1314611372 /nfs/dbraw/zinc/61/13/72/1314611372.db2.gz VANDRVUWJUYAPG-BIENJYKASA-N 1 3 338.455 2.834 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)N[C@@H]3CC[NH2+][C@H](C)C3)cc(C#N)c21 ZINC001246329323 1314611375 /nfs/dbraw/zinc/61/13/75/1314611375.db2.gz VANDRVUWJUYAPG-BIENJYKASA-N 1 3 338.455 2.834 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047039 1314631982 /nfs/dbraw/zinc/63/19/82/1314631982.db2.gz OZDCVVIYWTVHEY-PMACEKPBSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047039 1314631987 /nfs/dbraw/zinc/63/19/87/1314631987.db2.gz OZDCVVIYWTVHEY-PMACEKPBSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047042 1314632068 /nfs/dbraw/zinc/63/20/68/1314632068.db2.gz OZDCVVIYWTVHEY-WOJBJXKFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047042 1314632072 /nfs/dbraw/zinc/63/20/72/1314632072.db2.gz OZDCVVIYWTVHEY-WOJBJXKFSA-N 1 3 347.547 2.855 20 30 EFEDHO CCCCCCCCC[C@H](C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630078 1314660715 /nfs/dbraw/zinc/66/07/15/1314660715.db2.gz RLBSAMJYSRQJQR-FXAWDEMLSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCCC[C@H](C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630078 1314660719 /nfs/dbraw/zinc/66/07/19/1314660719.db2.gz RLBSAMJYSRQJQR-FXAWDEMLSA-N 1 3 335.536 2.927 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842991 1315014477 /nfs/dbraw/zinc/01/44/77/1315014477.db2.gz QVSJQVSEZUFGEV-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624008 1315049125 /nfs/dbraw/zinc/04/91/25/1315049125.db2.gz RQCNPGVIHJFYGN-RTBURBONSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624008 1315049129 /nfs/dbraw/zinc/04/91/29/1315049129.db2.gz RQCNPGVIHJFYGN-RTBURBONSA-N 1 3 333.520 2.940 20 30 EFEDHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@@H](N)c2ccc(C#N)cc2)cc1 ZINC001218895398 1315256025 /nfs/dbraw/zinc/25/60/25/1315256025.db2.gz PCAYFIVEZBBOQG-GOSISDBHSA-N 1 3 336.439 2.823 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129237 1315337608 /nfs/dbraw/zinc/33/76/08/1315337608.db2.gz MYRODSLPEVPJRV-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129237 1315337610 /nfs/dbraw/zinc/33/76/10/1315337610.db2.gz MYRODSLPEVPJRV-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143711 1315361034 /nfs/dbraw/zinc/36/10/34/1315361034.db2.gz IMVCUTNRWMHPHM-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143711 1315361038 /nfs/dbraw/zinc/36/10/38/1315361038.db2.gz IMVCUTNRWMHPHM-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCOc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220663300 1315438147 /nfs/dbraw/zinc/43/81/47/1315438147.db2.gz BSRLFXNKWJIKRU-AEFFLSMTSA-N 1 3 347.503 2.924 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209116 1315459252 /nfs/dbraw/zinc/45/92/52/1315459252.db2.gz JPWBEWBIDSWWFU-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209116 1315459258 /nfs/dbraw/zinc/45/92/58/1315459258.db2.gz JPWBEWBIDSWWFU-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226794 1315484808 /nfs/dbraw/zinc/48/48/08/1315484808.db2.gz ZRCYQXSANACRQU-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226794 1315484812 /nfs/dbraw/zinc/48/48/12/1315484812.db2.gz ZRCYQXSANACRQU-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134703 1315519781 /nfs/dbraw/zinc/51/97/81/1315519781.db2.gz UNPKJGUQIBOGGU-PMACEKPBSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134703 1315519786 /nfs/dbraw/zinc/51/97/86/1315519786.db2.gz UNPKJGUQIBOGGU-PMACEKPBSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137406 1315523694 /nfs/dbraw/zinc/52/36/94/1315523694.db2.gz NVGFQTNODGBDAC-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137406 1315523698 /nfs/dbraw/zinc/52/36/98/1315523698.db2.gz NVGFQTNODGBDAC-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163586 1315562286 /nfs/dbraw/zinc/56/22/86/1315562286.db2.gz CWOFCVAGJFURRY-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163586 1315562289 /nfs/dbraw/zinc/56/22/89/1315562289.db2.gz CWOFCVAGJFURRY-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165299 1315565268 /nfs/dbraw/zinc/56/52/68/1315565268.db2.gz MDMXANJUPZDYQR-FQEVSTJZSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165299 1315565270 /nfs/dbraw/zinc/56/52/70/1315565270.db2.gz MDMXANJUPZDYQR-FQEVSTJZSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180348 1315587709 /nfs/dbraw/zinc/58/77/09/1315587709.db2.gz PJNBGQLSOPDVAX-MOPGFXCFSA-N 1 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C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@H]1CC[C@@H](C#N)C1 ZINC001254646887 1315734896 /nfs/dbraw/zinc/73/48/96/1315734896.db2.gz PSEDQFTUQBRKBD-CVEARBPZSA-N 1 3 338.496 2.505 20 30 EFEDHO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@H]1CC[C@@H](C#N)C1 ZINC001254646887 1315734899 /nfs/dbraw/zinc/73/48/99/1315734899.db2.gz PSEDQFTUQBRKBD-CVEARBPZSA-N 1 3 338.496 2.505 20 30 EFEDHO C=C(C)C(=O)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255125959 1315779549 /nfs/dbraw/zinc/77/95/49/1315779549.db2.gz IQKNKPBMLAQMQU-REPLKXPHSA-N 1 3 328.456 2.891 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001039458488 1315805939 /nfs/dbraw/zinc/80/59/39/1315805939.db2.gz YLOQLRKLFIRUAS-UXHICEINSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H](C)CCN(CC)CC)C2 ZINC001255944156 1315883086 /nfs/dbraw/zinc/88/30/86/1315883086.db2.gz SCHVMEATEDBAOI-SJLPKXTDSA-N 1 3 331.504 2.602 20 30 EFEDHO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H](C)CCN(CC)CC)C2 ZINC001255944157 1315883567 /nfs/dbraw/zinc/88/35/67/1315883567.db2.gz SCHVMEATEDBAOI-WMZOPIPTSA-N 1 3 331.504 2.602 20 30 EFEDHO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H](C)CCN(CC)CC)CC2 ZINC001255955573 1315884694 /nfs/dbraw/zinc/88/46/94/1315884694.db2.gz BZUJSHNOVZNTLD-QGZVFWFLSA-N 1 3 337.508 2.827 20 30 EFEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464489 1316280702 /nfs/dbraw/zinc/28/07/02/1316280702.db2.gz NFVRFYAYAFZVKT-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464489 1316280703 /nfs/dbraw/zinc/28/07/03/1316280703.db2.gz NFVRFYAYAFZVKT-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726597 1316360646 /nfs/dbraw/zinc/36/06/46/1316360646.db2.gz LUQMNEHGLGUAGQ-IBGZPJMESA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726597 1316360649 /nfs/dbraw/zinc/36/06/49/1316360649.db2.gz LUQMNEHGLGUAGQ-IBGZPJMESA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001040953581 1316410186 /nfs/dbraw/zinc/41/01/86/1316410186.db2.gz PQXLBHFCHIRGSF-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723421 1316665803 /nfs/dbraw/zinc/66/58/03/1316665803.db2.gz HYSSHXNWEMORQN-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723421 1316665806 /nfs/dbraw/zinc/66/58/06/1316665806.db2.gz HYSSHXNWEMORQN-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042122641 1316894881 /nfs/dbraw/zinc/89/48/81/1316894881.db2.gz ACPWCVRWUNDVJU-SJLPKXTDSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042122641 1316894882 /nfs/dbraw/zinc/89/48/82/1316894882.db2.gz ACPWCVRWUNDVJU-SJLPKXTDSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21 ZINC001042162164 1316921946 /nfs/dbraw/zinc/92/19/46/1316921946.db2.gz GRPLJAXHENWDBY-UYAOXDASSA-N 1 3 341.499 2.513 20 30 EFEDHO C=CCCC[C@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001341585772 1332269545 /nfs/dbraw/zinc/26/95/45/1332269545.db2.gz RPUOOWWGJDBICO-INIZCTEOSA-N 1 3 330.476 2.815 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001343560729 1332357840 /nfs/dbraw/zinc/35/78/40/1332357840.db2.gz OWNOTBZQKXKUMJ-HKUYNNGSSA-N 1 3 329.488 2.793 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001480304865 1333596874 /nfs/dbraw/zinc/59/68/74/1333596874.db2.gz NCJOBLXPIAPSIH-KRWDZBQOSA-N 1 3 349.906 2.943 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001354474246 1334321177 /nfs/dbraw/zinc/32/11/77/1334321177.db2.gz HKWLQOIVFKRCEH-UHOSZYNNSA-N 1 3 329.488 2.554 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001354474246 1334321180 /nfs/dbraw/zinc/32/11/80/1334321180.db2.gz HKWLQOIVFKRCEH-UHOSZYNNSA-N 1 3 329.488 2.554 20 30 EFEDHO [NH2+]=C(NCC#Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849099655 1335552025 /nfs/dbraw/zinc/55/20/25/1335552025.db2.gz BBBZZPDYXOVUTL-UHFFFAOYSA-N 1 3 346.478 2.817 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001374571760 1342083927 /nfs/dbraw/zinc/08/39/27/1342083927.db2.gz RTJXMEXBVDBVRW-QZTJIDSGSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001379167894 1345638054 /nfs/dbraw/zinc/63/80/54/1345638054.db2.gz KFPWMFQOEVYMAW-LSDHHAIUSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001380672850 1347804292 /nfs/dbraw/zinc/80/42/92/1347804292.db2.gz FCWJBKUCPQUTFQ-YJBOKZPZSA-N 1 3 349.906 2.941 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001393155773 1356660587 /nfs/dbraw/zinc/66/05/87/1356660587.db2.gz FFSKSAGNSGCLPP-KRWDZBQOSA-N 1 3 329.916 2.545 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001393402934 1356822319 /nfs/dbraw/zinc/82/23/19/1356822319.db2.gz QYERVRKLQZRQCX-BZUAXINKSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001394430576 1357809603 /nfs/dbraw/zinc/80/96/03/1357809603.db2.gz TVPYFJLLDKFGGP-INIZCTEOSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001397142683 1359702788 /nfs/dbraw/zinc/70/27/88/1359702788.db2.gz YHBWWVAUFJLKRX-ULQDDVLXSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192882 1360368668 /nfs/dbraw/zinc/36/86/68/1360368668.db2.gz ARMHGGTUDRHGRY-DLBZAZTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN(CC1CC1)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001407023145 1368338956 /nfs/dbraw/zinc/33/89/56/1368338956.db2.gz QVICFQIFVJBPJO-UHFFFAOYSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)CN(CC1CC1)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001407023145 1368338964 /nfs/dbraw/zinc/33/89/64/1368338964.db2.gz QVICFQIFVJBPJO-UHFFFAOYSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174352 1368541383 /nfs/dbraw/zinc/54/13/83/1368541383.db2.gz QWPAHXHMWJNMDN-HZPDHXFCSA-N 1 3 329.916 2.590 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001421550217 1378795401 /nfs/dbraw/zinc/79/54/01/1378795401.db2.gz OITUJBKPTDALIP-DJIMGWMZSA-N 1 3 341.927 2.593 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001421580118 1378842005 /nfs/dbraw/zinc/84/20/05/1378842005.db2.gz RTFJMENJEUXMPH-WMLDXEAASA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001421580118 1378842010 /nfs/dbraw/zinc/84/20/10/1378842010.db2.gz RTFJMENJEUXMPH-WMLDXEAASA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CN[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001438833085 1388849149 /nfs/dbraw/zinc/84/91/49/1388849149.db2.gz GXKVOWBOBLRAMB-QGZVFWFLSA-N 1 3 341.927 2.591 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001495470154 1400007941 /nfs/dbraw/zinc/00/79/41/1400007941.db2.gz LLODVEHGPOHQMP-SHTZXODSSA-N 1 3 329.916 2.734 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001568157906 1416428724 /nfs/dbraw/zinc/42/87/24/1416428724.db2.gz HEFKFRDDCOHYRJ-MSOLQXFVSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001568157906 1416428727 /nfs/dbraw/zinc/42/87/27/1416428727.db2.gz HEFKFRDDCOHYRJ-MSOLQXFVSA-N 1 3 335.536 2.996 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC=C(C)C)CC1 ZINC000969155632 712942149 /nfs/dbraw/zinc/94/21/49/712942149.db2.gz CKEPNJJNVLFTTF-HXUWFJFHSA-N 1 3 345.531 2.659 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC=C(C)C)CC1 ZINC000969155632 712942153 /nfs/dbraw/zinc/94/21/53/712942153.db2.gz CKEPNJJNVLFTTF-HXUWFJFHSA-N 1 3 345.531 2.659 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2C[C@H](C)CC)CC1 ZINC000969156334 712944976 /nfs/dbraw/zinc/94/49/76/712944976.db2.gz PVYYZNOZGKAIIA-QUCCMNQESA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2C[C@H](C)CC)CC1 ZINC000969156334 712944977 /nfs/dbraw/zinc/94/49/77/712944977.db2.gz PVYYZNOZGKAIIA-QUCCMNQESA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039128329 713462882 /nfs/dbraw/zinc/46/28/82/713462882.db2.gz WKYXVBXYJFAGJC-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039128329 713462883 /nfs/dbraw/zinc/46/28/83/713462883.db2.gz WKYXVBXYJFAGJC-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039138244 713478484 /nfs/dbraw/zinc/47/84/84/713478484.db2.gz VBJKEXPGOHMMGN-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039138244 713478486 /nfs/dbraw/zinc/47/84/86/713478486.db2.gz VBJKEXPGOHMMGN-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604041 714164504 /nfs/dbraw/zinc/16/45/04/714164504.db2.gz AFJSPBKQYANXCF-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604041 714164507 /nfs/dbraw/zinc/16/45/07/714164507.db2.gz AFJSPBKQYANXCF-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604040 714164605 /nfs/dbraw/zinc/16/46/05/714164605.db2.gz AFJSPBKQYANXCF-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604040 714164608 /nfs/dbraw/zinc/16/46/08/714164608.db2.gz AFJSPBKQYANXCF-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671918 714275512 /nfs/dbraw/zinc/27/55/12/714275512.db2.gz XHFJZHZQESQBAS-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671918 714275513 /nfs/dbraw/zinc/27/55/13/714275513.db2.gz XHFJZHZQESQBAS-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739998 714403767 /nfs/dbraw/zinc/40/37/67/714403767.db2.gz PXULICSVHINRQP-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739998 714403768 /nfs/dbraw/zinc/40/37/68/714403768.db2.gz PXULICSVHINRQP-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251103 717980263 /nfs/dbraw/zinc/98/02/63/717980263.db2.gz FULBZSSOCAXMCA-YTQUADARSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251103 717980267 /nfs/dbraw/zinc/98/02/67/717980267.db2.gz FULBZSSOCAXMCA-YTQUADARSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009630469 715758503 /nfs/dbraw/zinc/75/85/03/715758503.db2.gz WJJTXNQITBIVQM-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009630469 715758506 /nfs/dbraw/zinc/75/85/06/715758506.db2.gz WJJTXNQITBIVQM-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957053 716014532 /nfs/dbraw/zinc/01/45/32/716014532.db2.gz IHGDCNDAWVIXDJ-XHSDSOJGSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001022957053 716014535 /nfs/dbraw/zinc/01/45/35/716014535.db2.gz IHGDCNDAWVIXDJ-XHSDSOJGSA-N 1 3 327.900 2.630 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001023128505 716164917 /nfs/dbraw/zinc/16/49/17/716164917.db2.gz HTDSXGBITYZPGR-BGYRXZFFSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803236 716455881 /nfs/dbraw/zinc/45/58/81/716455881.db2.gz YBPBHXHQWLHREQ-AKHDSKFASA-N 1 3 333.520 2.510 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803236 716455882 /nfs/dbraw/zinc/45/58/82/716455882.db2.gz YBPBHXHQWLHREQ-AKHDSKFASA-N 1 3 333.520 2.510 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979710172 717369937 /nfs/dbraw/zinc/36/99/37/717369937.db2.gz JSYYZZXSDRQWAZ-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979710172 717369940 /nfs/dbraw/zinc/36/99/40/717369940.db2.gz JSYYZZXSDRQWAZ-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441018 717740010 /nfs/dbraw/zinc/74/00/10/717740010.db2.gz XDHNFDGQIJFWEU-AZUAARDMSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441018 717740013 /nfs/dbraw/zinc/74/00/13/717740013.db2.gz XDHNFDGQIJFWEU-AZUAARDMSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441019 717740244 /nfs/dbraw/zinc/74/02/44/717740244.db2.gz XDHNFDGQIJFWEU-ICSRJNTNSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441019 717740248 /nfs/dbraw/zinc/74/02/48/717740248.db2.gz XDHNFDGQIJFWEU-ICSRJNTNSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024647974 718056234 /nfs/dbraw/zinc/05/62/34/718056234.db2.gz CHPAPIHBPVOCRA-HXUWFJFHSA-N 1 3 343.515 2.951 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751847 718134636 /nfs/dbraw/zinc/13/46/36/718134636.db2.gz LLWLARNTRASQPT-OALUTQOASA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751847 718134637 /nfs/dbraw/zinc/13/46/37/718134637.db2.gz LLWLARNTRASQPT-OALUTQOASA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811805 718175371 /nfs/dbraw/zinc/17/53/71/718175371.db2.gz ZSGKJEWQAZAZBR-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811805 718175373 /nfs/dbraw/zinc/17/53/73/718175373.db2.gz ZSGKJEWQAZAZBR-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094447 718727524 /nfs/dbraw/zinc/72/75/24/718727524.db2.gz ZVAUIKTUTBUMSA-MOPGFXCFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094447 718727526 /nfs/dbraw/zinc/72/75/26/718727526.db2.gz ZVAUIKTUTBUMSA-MOPGFXCFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981539810 718798642 /nfs/dbraw/zinc/79/86/42/718798642.db2.gz YLISTUYDASZDJN-ROUUACIJSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981539809 718798670 /nfs/dbraw/zinc/79/86/70/718798670.db2.gz YLISTUYDASZDJN-QZTJIDSGSA-N 1 3 329.488 2.955 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813958 719062901 /nfs/dbraw/zinc/06/29/01/719062901.db2.gz SGVQMADNTXSSSL-GOSISDBHSA-N 1 3 331.504 2.504 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813958 719062906 /nfs/dbraw/zinc/06/29/06/719062906.db2.gz SGVQMADNTXSSSL-GOSISDBHSA-N 1 3 331.504 2.504 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC000981861361 719139797 /nfs/dbraw/zinc/13/97/97/719139797.db2.gz NMIFWONNBCVHFC-UHFFFAOYSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC000981861361 719139800 /nfs/dbraw/zinc/13/98/00/719139800.db2.gz NMIFWONNBCVHFC-UHFFFAOYSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627682 719248579 /nfs/dbraw/zinc/24/85/79/719248579.db2.gz AWVSEDNQSOKNPZ-QUCCMNQESA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627682 719248583 /nfs/dbraw/zinc/24/85/83/719248583.db2.gz AWVSEDNQSOKNPZ-QUCCMNQESA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629319 719253514 /nfs/dbraw/zinc/25/35/14/719253514.db2.gz FSOYLICFVARAQH-ZWKOTPCHSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629319 719253516 /nfs/dbraw/zinc/25/35/16/719253516.db2.gz FSOYLICFVARAQH-ZWKOTPCHSA-N 1 3 341.499 2.602 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009164 719432680 /nfs/dbraw/zinc/43/26/80/719432680.db2.gz HYEDFBYJSVITEY-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009164 719432684 /nfs/dbraw/zinc/43/26/84/719432684.db2.gz HYEDFBYJSVITEY-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110458 719568548 /nfs/dbraw/zinc/56/85/48/719568548.db2.gz QFWSMKPXBRNKNA-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110458 719568551 /nfs/dbraw/zinc/56/85/51/719568551.db2.gz QFWSMKPXBRNKNA-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275433 719772985 /nfs/dbraw/zinc/77/29/85/719772985.db2.gz GRHLUBIKXPBNLA-RLLQIKCJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275433 719772988 /nfs/dbraw/zinc/77/29/88/719772988.db2.gz GRHLUBIKXPBNLA-RLLQIKCJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332883 720372577 /nfs/dbraw/zinc/37/25/77/720372577.db2.gz FSMICQNFEDUJGQ-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332883 720372582 /nfs/dbraw/zinc/37/25/82/720372582.db2.gz FSMICQNFEDUJGQ-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862403 721484242 /nfs/dbraw/zinc/48/42/42/721484242.db2.gz KAPAYQNZGPADCX-QZTJIDSGSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862403 721484244 /nfs/dbraw/zinc/48/42/44/721484244.db2.gz KAPAYQNZGPADCX-QZTJIDSGSA-N 1 3 333.520 2.654 20 30 EFEDHO CC[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000154634871 728832791 /nfs/dbraw/zinc/83/27/91/728832791.db2.gz HFJZZMLPFBWFNH-VQIMIIECSA-N 1 3 344.503 2.736 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992508330 725911579 /nfs/dbraw/zinc/91/15/79/725911579.db2.gz LUKKDBDMGFXCRN-UYAOXDASSA-N 1 3 327.472 2.661 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992508330 725911581 /nfs/dbraw/zinc/91/15/81/725911581.db2.gz LUKKDBDMGFXCRN-UYAOXDASSA-N 1 3 327.472 2.661 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057816 726188497 /nfs/dbraw/zinc/18/84/97/726188497.db2.gz ZGJUYXBXWHTDCH-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057816 726188502 /nfs/dbraw/zinc/18/85/02/726188502.db2.gz ZGJUYXBXWHTDCH-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992926437 726342584 /nfs/dbraw/zinc/34/25/84/726342584.db2.gz OFZMULDALDYDAN-XUVXKRRUSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630189 727348482 /nfs/dbraw/zinc/34/84/82/727348482.db2.gz KNSXLVKKULWFSV-FXAWDEMLSA-N 1 3 343.515 2.950 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994007534 727579057 /nfs/dbraw/zinc/57/90/57/727579057.db2.gz PMIJKUVITKADQR-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994007538 727579173 /nfs/dbraw/zinc/57/91/73/727579173.db2.gz PMIJKUVITKADQR-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000912419614 727710071 /nfs/dbraw/zinc/71/00/71/727710071.db2.gz RCCAQKYQKOJGLW-LJQANCHMSA-N 1 3 348.535 2.685 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994454965 727758061 /nfs/dbraw/zinc/75/80/61/727758061.db2.gz AFJKUDAFDSUZMY-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994454965 727758063 /nfs/dbraw/zinc/75/80/63/727758063.db2.gz AFJKUDAFDSUZMY-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489046 727769865 /nfs/dbraw/zinc/76/98/65/727769865.db2.gz SGZJOCOYTDCHIQ-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489049 727769903 /nfs/dbraw/zinc/76/99/03/727769903.db2.gz SGZJOCOYTDCHIQ-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493681 727770743 /nfs/dbraw/zinc/77/07/43/727770743.db2.gz FCIVEUSHRQDTFL-XLIONFOSSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493681 727770744 /nfs/dbraw/zinc/77/07/44/727770744.db2.gz FCIVEUSHRQDTFL-XLIONFOSSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493661 727770747 /nfs/dbraw/zinc/77/07/47/727770747.db2.gz FCIVEUSHRQDTFL-FXAWDEMLSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493661 727770748 /nfs/dbraw/zinc/77/07/48/727770748.db2.gz FCIVEUSHRQDTFL-FXAWDEMLSA-N 1 3 347.547 2.737 20 30 EFEDHO C=C(Cl)CN[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000939806957 729130147 /nfs/dbraw/zinc/13/01/47/729130147.db2.gz PWHFUZUAOVQTBH-CXAGYDPISA-N 1 3 335.879 2.551 20 30 EFEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001574849781 1088118897 /nfs/dbraw/zinc/11/88/97/1088118897.db2.gz QUTMHMMOCFHDNW-QZTJIDSGSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849781 1088118934 /nfs/dbraw/zinc/11/89/34/1088118934.db2.gz QUTMHMMOCFHDNW-QZTJIDSGSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849781 1088118950 /nfs/dbraw/zinc/11/89/50/1088118950.db2.gz QUTMHMMOCFHDNW-QZTJIDSGSA-N 1 3 349.906 2.968 20 30 EFEDHO CN(CCOCc1ccc(C#N)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001578476992 1090382516 /nfs/dbraw/zinc/38/25/16/1090382516.db2.gz FINPMTVOFKERPT-UHFFFAOYSA-N 1 3 335.451 2.853 20 30 EFEDHO COc1cc(C#N)ccc1CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001579139129 1090524456 /nfs/dbraw/zinc/52/44/56/1090524456.db2.gz MIDQOONLAVXOTD-IBGZPJMESA-N 1 3 325.456 2.921 20 30 EFEDHO N#Cc1cnc2ccccc2c1N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC001580081735 1090767090 /nfs/dbraw/zinc/76/70/90/1090767090.db2.gz PYGXFGUHWWXMIN-UHFFFAOYSA-N 1 3 349.482 2.618 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448193 1092754511 /nfs/dbraw/zinc/75/45/11/1092754511.db2.gz QESYUXWPXBAYKM-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448193 1092754521 /nfs/dbraw/zinc/75/45/21/1092754521.db2.gz QESYUXWPXBAYKM-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461923 1093334864 /nfs/dbraw/zinc/33/48/64/1093334864.db2.gz WTZCBOWNLCCILY-LJQANCHMSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461923 1093334869 /nfs/dbraw/zinc/33/48/69/1093334869.db2.gz WTZCBOWNLCCILY-LJQANCHMSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1ccccc1 ZINC001211625472 1094453712 /nfs/dbraw/zinc/45/37/12/1094453712.db2.gz IHHWKYFRSUUTOO-RBUKOAKNSA-N 1 3 343.515 2.877 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667647 1094570194 /nfs/dbraw/zinc/57/01/94/1094570194.db2.gz UMWYGABCMJVFEI-OIISXLGYSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529883 1094761623 /nfs/dbraw/zinc/76/16/23/1094761623.db2.gz TUGVGQRRRNJTSB-HBFSDRIKSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001087316934 1095303594 /nfs/dbraw/zinc/30/35/94/1095303594.db2.gz ZOEIWHIAHUGFQQ-AYOQOUSVSA-N 1 3 344.503 2.832 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001087316934 1095303607 /nfs/dbraw/zinc/30/36/07/1095303607.db2.gz ZOEIWHIAHUGFQQ-AYOQOUSVSA-N 1 3 344.503 2.832 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001481960145 1097009733 /nfs/dbraw/zinc/00/97/33/1097009733.db2.gz BKQIUYLGWCSQBM-RHSMWYFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832790 1098712802 /nfs/dbraw/zinc/71/28/02/1098712802.db2.gz UDMNDMOSOZCGRR-NVXWUHKLSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001104924083 1099047105 /nfs/dbraw/zinc/04/71/05/1099047105.db2.gz FWZMJQMRYDHLQB-GDBMZVCRSA-N 1 3 329.916 2.545 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573034 1100540559 /nfs/dbraw/zinc/54/05/59/1100540559.db2.gz QRUFHUDDVFVDRY-NZSAHSFTSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573034 1100540565 /nfs/dbraw/zinc/54/05/65/1100540565.db2.gz QRUFHUDDVFVDRY-NZSAHSFTSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395790 1100559262 /nfs/dbraw/zinc/55/92/62/1100559262.db2.gz FMDKYJZKNCUDOP-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395790 1100559268 /nfs/dbraw/zinc/55/92/68/1100559268.db2.gz FMDKYJZKNCUDOP-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087698403 1100677651 /nfs/dbraw/zinc/67/76/51/1100677651.db2.gz VYBRYELYPXTEBE-IPMKNSEASA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087698403 1100677656 /nfs/dbraw/zinc/67/76/56/1100677656.db2.gz VYBRYELYPXTEBE-IPMKNSEASA-N 1 3 333.520 2.939 20 30 EFEDHO C#CCOCCOCCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031523 1100934629 /nfs/dbraw/zinc/93/46/29/1100934629.db2.gz ZPSYHDASXNKDRS-OALUTQOASA-N 1 3 344.499 2.684 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385652 1101391974 /nfs/dbraw/zinc/39/19/74/1101391974.db2.gz MKRNLCJSDVLZCY-INIZCTEOSA-N 1 3 341.927 2.880 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130016 1101623384 /nfs/dbraw/zinc/62/33/84/1101623384.db2.gz RYVIKCBYXDQGML-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130016 1101623391 /nfs/dbraw/zinc/62/33/91/1101623391.db2.gz RYVIKCBYXDQGML-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212857 1101891964 /nfs/dbraw/zinc/89/19/64/1101891964.db2.gz WTDVBCLIJOIEOY-CEXWTWQISA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212857 1101891982 /nfs/dbraw/zinc/89/19/82/1101891982.db2.gz WTDVBCLIJOIEOY-CEXWTWQISA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240137 1102122894 /nfs/dbraw/zinc/12/28/94/1102122894.db2.gz CAMAMDCQABVSCM-UHFFFAOYSA-N 1 3 329.916 2.593 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482492783 1102267139 /nfs/dbraw/zinc/26/71/39/1102267139.db2.gz FHZCSWVKWDTURU-YOEHRIQHSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001101522138 1104143101 /nfs/dbraw/zinc/14/31/01/1104143101.db2.gz OAHIGZSVGGEITN-INIZCTEOSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569069 1104588512 /nfs/dbraw/zinc/58/85/12/1104588512.db2.gz GBMKIINOVRAXGF-AOIWGVFYSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569069 1104588520 /nfs/dbraw/zinc/58/85/20/1104588520.db2.gz GBMKIINOVRAXGF-AOIWGVFYSA-N 1 3 333.520 2.796 20 30 EFEDHO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542075 1105899739 /nfs/dbraw/zinc/89/97/39/1105899739.db2.gz OMMQNIPQAVRQBR-LJQANCHMSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105564214 1105934289 /nfs/dbraw/zinc/93/42/89/1105934289.db2.gz XZDBNVMOSYWDDG-OALUTQOASA-N 1 3 345.531 2.635 20 30 EFEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563291 1105941975 /nfs/dbraw/zinc/94/19/75/1105941975.db2.gz IWYNHMZHMKPJLO-ROUUACIJSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566922 1105945011 /nfs/dbraw/zinc/94/50/11/1105945011.db2.gz ZFFIBOJLWONNBQ-QGZVFWFLSA-N 1 3 330.476 2.669 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241574 1106493794 /nfs/dbraw/zinc/49/37/94/1106493794.db2.gz PJAGYGBTAJYMEW-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241574 1106493798 /nfs/dbraw/zinc/49/37/98/1106493798.db2.gz PJAGYGBTAJYMEW-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658879 1108624706 /nfs/dbraw/zinc/62/47/06/1108624706.db2.gz JXVQGXOIQVFJHE-YFVAEKQCSA-N 1 3 345.531 2.940 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658879 1108624712 /nfs/dbraw/zinc/62/47/12/1108624712.db2.gz JXVQGXOIQVFJHE-YFVAEKQCSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769975 1108726480 /nfs/dbraw/zinc/72/64/80/1108726480.db2.gz QKUDFJGHJCSQKG-APWZRJJASA-N 1 3 329.488 2.559 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106667938 1111712098 /nfs/dbraw/zinc/71/20/98/1111712098.db2.gz CYZBSDMLYOUWRA-KZNAEPCWSA-N 1 3 335.536 2.757 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486535 1112221506 /nfs/dbraw/zinc/22/15/06/1112221506.db2.gz ACGMLMTZSZQOCS-MSOLQXFVSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486535 1112221507 /nfs/dbraw/zinc/22/15/07/1112221507.db2.gz ACGMLMTZSZQOCS-MSOLQXFVSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509886 1112259987 /nfs/dbraw/zinc/25/99/87/1112259987.db2.gz KHTIORLFDUYLLB-RBUKOAKNSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509886 1112259989 /nfs/dbraw/zinc/25/99/89/1112259989.db2.gz KHTIORLFDUYLLB-RBUKOAKNSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089663659 1112607306 /nfs/dbraw/zinc/60/73/06/1112607306.db2.gz RSHRIMYXFOBJEJ-RTBURBONSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663659 1112607308 /nfs/dbraw/zinc/60/73/08/1112607308.db2.gz RSHRIMYXFOBJEJ-RTBURBONSA-N 1 3 347.547 2.737 20 30 EFEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089847113 1118249354 /nfs/dbraw/zinc/24/93/54/1118249354.db2.gz RNCQWTDHQGTJND-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089847113 1118249355 /nfs/dbraw/zinc/24/93/55/1118249355.db2.gz RNCQWTDHQGTJND-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CCC1 ZINC000183834520 1118786267 /nfs/dbraw/zinc/78/62/67/1118786267.db2.gz HSGNLWUJDFNKJW-INIZCTEOSA-N 1 3 344.503 2.506 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180111 1120649080 /nfs/dbraw/zinc/64/90/80/1120649080.db2.gz KOIGVJIHCICAFQ-MJGOQNOKSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180111 1120649084 /nfs/dbraw/zinc/64/90/84/1120649084.db2.gz KOIGVJIHCICAFQ-MJGOQNOKSA-N 1 3 347.547 2.594 20 30 EFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859759 234355846 /nfs/dbraw/zinc/35/58/46/234355846.db2.gz VSURJESLWGEGBG-SFTDATJTSA-N 1 3 340.515 2.985 20 30 EFEDHO C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262428721 240351030 /nfs/dbraw/zinc/35/10/30/240351030.db2.gz SCTKZVAZPLHCMZ-XUVXKRRUSA-N 1 3 340.515 2.753 20 30 EFEDHO CC/[NH+]=C(/N(C)C)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262483517 240357400 /nfs/dbraw/zinc/35/74/00/240357400.db2.gz SBAYHOUULVGOAT-GOBJLOIFSA-N 1 3 328.504 2.912 20 30 EFEDHO C[NH+]=C(NCC1(N2CCC(OC)CC2)CCCC1)NC1CCCC1 ZINC000262482898 240357311 /nfs/dbraw/zinc/35/73/11/240357311.db2.gz VKQDJIYWADWCGQ-UHFFFAOYSA-N 1 3 336.524 2.518 20 30 EFEDHO C[C@@H]1CCC[C@@](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)(N(C)C)C1 ZINC000262563934 240360485 /nfs/dbraw/zinc/36/04/85/240360485.db2.gz XFYVDJXCAGAPNI-OXFYSEKESA-N 1 3 344.503 2.925 20 30 EFEDHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000072725496 216300601 /nfs/dbraw/zinc/30/06/01/216300601.db2.gz WKRJYYXFYMPFOI-SFHVURJKSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000072725496 216300605 /nfs/dbraw/zinc/30/06/05/216300605.db2.gz WKRJYYXFYMPFOI-SFHVURJKSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000192706001 240059367 /nfs/dbraw/zinc/05/93/67/240059367.db2.gz XOWJEFJPZJQWGB-WOJBJXKFSA-N 1 3 326.488 2.606 20 30 EFEDHO Cc1nccn1C[C@@H](C)C[NH+]=C([O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000329302486 241345228 /nfs/dbraw/zinc/34/52/28/241345228.db2.gz WKYVGCJGEFUVPE-INIZCTEOSA-N 1 3 347.507 2.692 20 30 EFEDHO N#C[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000442708339 250103761 /nfs/dbraw/zinc/10/37/61/250103761.db2.gz FYQUBVVILRTBKB-LEWJYISDSA-N 1 3 340.515 2.866 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442709588 250105212 /nfs/dbraw/zinc/10/52/12/250105212.db2.gz OQZIASXRMOSJCO-XLIONFOSSA-N 1 3 326.488 2.606 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442709585 250105497 /nfs/dbraw/zinc/10/54/97/250105497.db2.gz OQZIASXRMOSJCO-PXNSSMCTSA-N 1 3 326.488 2.606 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000344171354 145384617 /nfs/dbraw/zinc/38/46/17/145384617.db2.gz RKAAPALOSMGZQI-GOSISDBHSA-N 1 3 328.504 2.969 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000344171354 145384618 /nfs/dbraw/zinc/38/46/18/145384618.db2.gz RKAAPALOSMGZQI-GOSISDBHSA-N 1 3 328.504 2.969 20 30 EFEDHO Cn1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1C#N ZINC000359726885 148173680 /nfs/dbraw/zinc/17/36/80/148173680.db2.gz YLLSGWUNFLJSDL-UHFFFAOYSA-N 1 3 338.455 2.661 20 30 EFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000281789948 266272770 /nfs/dbraw/zinc/27/27/70/266272770.db2.gz UIRVYOGGGSEFAJ-VQIMIIECSA-N 1 3 345.487 2.793 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850147 267179214 /nfs/dbraw/zinc/17/92/14/267179214.db2.gz IOONTUKDGPXEFZ-YSSFQJQWSA-N 1 3 327.472 2.977 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850140 267179662 /nfs/dbraw/zinc/17/96/62/267179662.db2.gz IOONTUKDGPXEFZ-CWFSZBLJSA-N 1 3 327.472 2.977 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960329 267179690 /nfs/dbraw/zinc/17/96/90/267179690.db2.gz QZUKNOVCHRBMHM-MJXNMMHHSA-N 1 3 331.435 2.726 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424138765 290393361 /nfs/dbraw/zinc/39/33/61/290393361.db2.gz UVHDVZLVZLPXIN-LPHOPBHVSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424138765 290393363 /nfs/dbraw/zinc/39/33/63/290393363.db2.gz UVHDVZLVZLPXIN-LPHOPBHVSA-N 1 3 342.487 2.698 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(F)c1 ZINC000580639814 324202678 /nfs/dbraw/zinc/20/26/78/324202678.db2.gz NWVADPJWGWTJLB-TVXGVJEUSA-N 1 3 328.435 2.539 20 30 EFEDHO CC(C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC1 ZINC000083030751 473315887 /nfs/dbraw/zinc/31/58/87/473315887.db2.gz FGTCSMAHNMSCGR-DLBZAZTESA-N 1 3 330.476 2.535 20 30 EFEDHO C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCC(C)CC1 ZINC000083033999 473317724 /nfs/dbraw/zinc/31/77/24/473317724.db2.gz NSJRHBUANNMSID-NVXWUHKLSA-N 1 3 330.476 2.535 20 30 EFEDHO N#Cc1ccccc1NC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000071185239 472543302 /nfs/dbraw/zinc/54/33/02/472543302.db2.gz HSRXAUKVPGYRBL-UHFFFAOYSA-N 1 3 340.471 2.695 20 30 EFEDHO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132894210 472761361 /nfs/dbraw/zinc/76/13/61/472761361.db2.gz OBHDHDKFPHUISM-MSOLQXFVSA-N 1 3 342.483 2.850 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000106257083 472835447 /nfs/dbraw/zinc/83/54/47/472835447.db2.gz LZVTUHHXFBEZNM-UHFFFAOYSA-N 1 3 344.503 2.588 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000106329211 472841198 /nfs/dbraw/zinc/84/11/98/472841198.db2.gz URVBBIIGIZNUCZ-KRWDZBQOSA-N 1 3 336.524 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000106329211 472841206 /nfs/dbraw/zinc/84/12/06/472841206.db2.gz URVBBIIGIZNUCZ-KRWDZBQOSA-N 1 3 336.524 2.591 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043475 472847494 /nfs/dbraw/zinc/84/74/94/472847494.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043475 472847497 /nfs/dbraw/zinc/84/74/97/472847497.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000092043475 472847503 /nfs/dbraw/zinc/84/75/03/472847503.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000092043475 472847508 /nfs/dbraw/zinc/84/75/08/472847508.db2.gz XJDNJSXKFBUICA-QUCCMNQESA-N 1 3 326.488 2.953 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)CC1 ZINC000048783005 472909836 /nfs/dbraw/zinc/90/98/36/472909836.db2.gz HXDYLBBDUCUZSC-UHFFFAOYSA-N 1 3 334.467 2.595 20 30 EFEDHO C=CC1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111256994 473200387 /nfs/dbraw/zinc/20/03/87/473200387.db2.gz VIVZRRYYJYXWQT-FXAWDEMLSA-N 1 3 341.499 2.664 20 30 EFEDHO C=CC1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111256994 473200389 /nfs/dbraw/zinc/20/03/89/473200389.db2.gz VIVZRRYYJYXWQT-FXAWDEMLSA-N 1 3 341.499 2.664 20 30 EFEDHO C=CC1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111257000 473200428 /nfs/dbraw/zinc/20/04/28/473200428.db2.gz VIVZRRYYJYXWQT-XLIONFOSSA-N 1 3 341.499 2.664 20 30 EFEDHO C=CC1CCN([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111257000 473200430 /nfs/dbraw/zinc/20/04/30/473200430.db2.gz VIVZRRYYJYXWQT-XLIONFOSSA-N 1 3 341.499 2.664 20 30 EFEDHO C=CC1CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111256996 473200605 /nfs/dbraw/zinc/20/06/05/473200605.db2.gz VIVZRRYYJYXWQT-YLJYHZDGSA-N 1 3 341.499 2.664 20 30 EFEDHO C=CC1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111256996 473200608 /nfs/dbraw/zinc/20/06/08/473200608.db2.gz VIVZRRYYJYXWQT-YLJYHZDGSA-N 1 3 341.499 2.664 20 30 EFEDHO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000185714814 473495667 /nfs/dbraw/zinc/49/56/67/473495667.db2.gz KVGRJVIMFYVWLP-APWZRJJASA-N 1 3 327.472 2.815 20 30 EFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192193959 473646060 /nfs/dbraw/zinc/64/60/60/473646060.db2.gz WNNHFEOYNJHMNA-DNVCBOLYSA-N 1 3 333.451 2.924 20 30 EFEDHO CC(C)N1CCN(CCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000192727277 473713970 /nfs/dbraw/zinc/71/39/70/473713970.db2.gz LQPLJQVSLXSDAT-UHFFFAOYSA-N 1 3 340.515 2.939 20 30 EFEDHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000192727277 473713977 /nfs/dbraw/zinc/71/39/77/473713977.db2.gz LQPLJQVSLXSDAT-UHFFFAOYSA-N 1 3 340.515 2.939 20 30 EFEDHO C[NH+](C)CCOc1ccc(CCNCc2ccc(C#N)cc2F)cc1 ZINC000269426700 473809380 /nfs/dbraw/zinc/80/93/80/473809380.db2.gz NQTOUKNEIVQYBO-UHFFFAOYSA-N 1 3 341.430 2.970 20 30 EFEDHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281812567 473845836 /nfs/dbraw/zinc/84/58/36/473845836.db2.gz WDMDYQVLIACQJJ-HOTGVXAUSA-N 1 3 331.460 2.546 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646288 473928412 /nfs/dbraw/zinc/92/84/12/473928412.db2.gz LGUMQFAESXWNHG-IERDGZPVSA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646288 473928418 /nfs/dbraw/zinc/92/84/18/473928418.db2.gz LGUMQFAESXWNHG-IERDGZPVSA-N 1 3 335.451 2.976 20 30 EFEDHO CN(C)CC(C)(C)CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264115348 473950569 /nfs/dbraw/zinc/95/05/69/473950569.db2.gz PTEMBAZNFDVAEJ-UHFFFAOYSA-N 1 3 332.370 2.900 20 30 EFEDHO C=CCN1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264467294 474003952 /nfs/dbraw/zinc/00/39/52/474003952.db2.gz HSANAIWJEIUOBE-UHFFFAOYSA-N 1 3 341.499 2.665 20 30 EFEDHO N#Cc1ccc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000182048959 474088544 /nfs/dbraw/zinc/08/85/44/474088544.db2.gz JPKNZHTYGQMJOQ-UHFFFAOYSA-N 1 3 339.439 2.958 20 30 EFEDHO N#C[C@@H]1CCC[C@@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248758533 474428230 /nfs/dbraw/zinc/42/82/30/474428230.db2.gz DAAGJEBNWNBPPJ-AHRSYUTCSA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@@H]1CCC[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248758533 474428233 /nfs/dbraw/zinc/42/82/33/474428233.db2.gz DAAGJEBNWNBPPJ-AHRSYUTCSA-N 1 3 327.472 2.815 20 30 EFEDHO C#Cc1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000290424859 474570531 /nfs/dbraw/zinc/57/05/31/474570531.db2.gz RGBHVJPZUBATEX-UHFFFAOYSA-N 1 3 334.463 2.914 20 30 EFEDHO C[C@H]1C[N@H+](CCCNCc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746884 474594726 /nfs/dbraw/zinc/59/47/26/474594726.db2.gz KLPGANVMBFCTIJ-SFHVURJKSA-N 1 3 344.503 2.627 20 30 EFEDHO C[C@H]1C[N@@H+](CCCNCc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746884 474594730 /nfs/dbraw/zinc/59/47/30/474594730.db2.gz KLPGANVMBFCTIJ-SFHVURJKSA-N 1 3 344.503 2.627 20 30 EFEDHO CCN(CC)C(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267295212 474640659 /nfs/dbraw/zinc/64/06/59/474640659.db2.gz JHHHHLSKUZNUED-UHFFFAOYSA-N 1 3 346.519 2.714 20 30 EFEDHO C=C(C)CNC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267373829 474664176 /nfs/dbraw/zinc/66/41/76/474664176.db2.gz UAOQTBORYZLWPU-UHFFFAOYSA-N 1 3 344.503 2.538 20 30 EFEDHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000273240349 474798389 /nfs/dbraw/zinc/79/83/89/474798389.db2.gz QCTNZRYNCHVODR-MRXNPFEDSA-N 1 3 344.503 2.615 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)C(C)C ZINC000279012874 474955732 /nfs/dbraw/zinc/95/57/32/474955732.db2.gz LSMSPJDHKNXABI-IBGZPJMESA-N 1 3 333.520 2.676 20 30 EFEDHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279461733 474977247 /nfs/dbraw/zinc/97/72/47/474977247.db2.gz GTSMOXLEVLHLNK-APWZRJJASA-N 1 3 340.471 2.867 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679599 474985426 /nfs/dbraw/zinc/98/54/26/474985426.db2.gz DVUYAEOVPPYCGE-VQIMIIECSA-N 1 3 338.455 2.621 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679599 474985434 /nfs/dbraw/zinc/98/54/34/474985434.db2.gz DVUYAEOVPPYCGE-VQIMIIECSA-N 1 3 338.455 2.621 20 30 EFEDHO COc1cc(C#N)ccc1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285424143 475015263 /nfs/dbraw/zinc/01/52/63/475015263.db2.gz GXEUCXNRUBHLHQ-SJPCQFCGSA-N 1 3 329.444 2.503 20 30 EFEDHO COc1cc(C#N)ccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000285424143 475015269 /nfs/dbraw/zinc/01/52/69/475015269.db2.gz GXEUCXNRUBHLHQ-SJPCQFCGSA-N 1 3 329.444 2.503 20 30 EFEDHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280918871 475056623 /nfs/dbraw/zinc/05/66/23/475056623.db2.gz ODJZVFYBKIRMEC-MOPGFXCFSA-N 1 3 338.455 2.621 20 30 EFEDHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280918871 475056637 /nfs/dbraw/zinc/05/66/37/475056637.db2.gz ODJZVFYBKIRMEC-MOPGFXCFSA-N 1 3 338.455 2.621 20 30 EFEDHO C#CCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268962784 475098342 /nfs/dbraw/zinc/09/83/42/475098342.db2.gz JOEVWJDODWDZNX-LEWJYISDSA-N 1 3 342.483 2.556 20 30 EFEDHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346117446 475560839 /nfs/dbraw/zinc/56/08/39/475560839.db2.gz KGPTUPMBXYOCTQ-BHIYHBOVSA-N 1 3 325.456 2.844 20 30 EFEDHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000348834920 475870818 /nfs/dbraw/zinc/87/08/18/475870818.db2.gz RVZOUZKEIWZQJX-UHFFFAOYSA-N 1 3 340.515 2.602 20 30 EFEDHO C=CCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OC ZINC000346843283 475905171 /nfs/dbraw/zinc/90/51/71/475905171.db2.gz XXMRMMKNUGNKCP-UHFFFAOYSA-N 1 3 334.460 2.590 20 30 EFEDHO C=CCOc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000349333075 475946998 /nfs/dbraw/zinc/94/69/98/475946998.db2.gz PZRDYGQWKJBPBA-SFHVURJKSA-N 1 3 343.515 2.852 20 30 EFEDHO C=CCOc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000349333075 475947005 /nfs/dbraw/zinc/94/70/05/475947005.db2.gz PZRDYGQWKJBPBA-SFHVURJKSA-N 1 3 343.515 2.852 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415135532 476909320 /nfs/dbraw/zinc/90/93/20/476909320.db2.gz WTFYABDNYCHJMC-VQTJNVASSA-N 1 3 330.472 2.970 20 30 EFEDHO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCNC1 ZINC000423218986 476967531 /nfs/dbraw/zinc/96/75/31/476967531.db2.gz SWMJMEMSLXDMGV-VQIMIIECSA-N 1 3 326.488 2.500 20 30 EFEDHO C[C@@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCNC1 ZINC000423351338 477002624 /nfs/dbraw/zinc/00/26/24/477002624.db2.gz YVDIHGYSEGSAEB-HXUWFJFHSA-N 1 3 326.488 2.502 20 30 EFEDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424142475 477306105 /nfs/dbraw/zinc/30/61/05/477306105.db2.gz YHJQCOMXABQZTJ-QFBILLFUSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424142475 477306112 /nfs/dbraw/zinc/30/61/12/477306112.db2.gz YHJQCOMXABQZTJ-QFBILLFUSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@H]([NH2+]C1(CNC(=O)[C@H](N)CCCC#N)CCCC1)c1ccccc1 ZINC000424149880 477310086 /nfs/dbraw/zinc/31/00/86/477310086.db2.gz XSTIHVGSVOLMBC-FUHWJXTLSA-N 1 3 342.487 2.787 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000424157596 477311286 /nfs/dbraw/zinc/31/12/86/477311286.db2.gz QAFKQVRHBWEUSC-LJQANCHMSA-N 1 3 342.487 2.700 20 30 EFEDHO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000435743473 477364475 /nfs/dbraw/zinc/36/44/75/477364475.db2.gz ACTRAJNZECJEIJ-TZIWHRDSSA-N 1 3 343.515 2.899 20 30 EFEDHO C[NH+](C)CCCOc1cnccc1CNC1CCC(C)(C#N)CC1 ZINC000449331061 477548787 /nfs/dbraw/zinc/54/87/87/477548787.db2.gz WXNPZEZFIALBHE-UHFFFAOYSA-N 1 3 330.476 2.974 20 30 EFEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821061 477887015 /nfs/dbraw/zinc/88/70/15/477887015.db2.gz RDJDSSXRWSQCBM-MAUKXSAKSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821061 477887018 /nfs/dbraw/zinc/88/70/18/477887018.db2.gz RDJDSSXRWSQCBM-MAUKXSAKSA-N 1 3 328.460 2.691 20 30 EFEDHO C=CCC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000438973766 477913661 /nfs/dbraw/zinc/91/36/61/477913661.db2.gz AMRJQZAOCFJGCB-FQEVSTJZSA-N 1 3 328.504 2.928 20 30 EFEDHO C=CCN1CCC(NC(=O)N(CC[NH+](CC)CC)CC(C)C)CC1 ZINC000517341930 478080857 /nfs/dbraw/zinc/08/08/57/478080857.db2.gz YTAHLWUKHSACTK-UHFFFAOYSA-N 1 3 338.540 2.646 20 30 EFEDHO Cc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)ccc1C#N ZINC000488326194 478139007 /nfs/dbraw/zinc/13/90/07/478139007.db2.gz LECDGHOOICTPNH-UHFFFAOYSA-N 1 3 340.515 2.716 20 30 EFEDHO C=C[C@@H]1CCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000570813021 478453110 /nfs/dbraw/zinc/45/31/10/478453110.db2.gz CPNVQZZLWHYJHA-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572052 478583030 /nfs/dbraw/zinc/58/30/30/478583030.db2.gz IRCDMDBSHUXWIA-HVFKPGDCSA-N 1 3 343.471 2.590 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000564853376 478832877 /nfs/dbraw/zinc/83/28/77/478832877.db2.gz BIQMVPCGROJZID-NXEWRWPSSA-N 1 3 344.499 2.760 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000564853376 478832889 /nfs/dbraw/zinc/83/28/89/478832889.db2.gz BIQMVPCGROJZID-NXEWRWPSSA-N 1 3 344.499 2.760 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565489267 479020253 /nfs/dbraw/zinc/02/02/53/479020253.db2.gz REKVKQXEUYILCV-IBGZPJMESA-N 1 3 341.499 2.665 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565489267 479020261 /nfs/dbraw/zinc/02/02/61/479020261.db2.gz REKVKQXEUYILCV-IBGZPJMESA-N 1 3 341.499 2.665 20 30 EFEDHO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000584166907 479036562 /nfs/dbraw/zinc/03/65/62/479036562.db2.gz PGVPSEHRDZWCQY-UAGQMJEPSA-N 1 3 330.451 2.644 20 30 EFEDHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316032 479037942 /nfs/dbraw/zinc/03/79/42/479037942.db2.gz XSRJYWZDJPBPOJ-HFTRVMKXSA-N 1 3 330.451 2.644 20 30 EFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)C(C)C ZINC000567776314 479114457 /nfs/dbraw/zinc/11/44/57/479114457.db2.gz WZNWWWOZZIBQDE-UXHICEINSA-N 1 3 341.499 2.688 20 30 EFEDHO Cn1cc(C[NH2+]C[C@H]2CCCCN(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000598993506 479118165 /nfs/dbraw/zinc/11/81/65/479118165.db2.gz CUTJKQIXIJZYBI-QGZVFWFLSA-N 1 3 337.471 2.780 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602515800 479377492 /nfs/dbraw/zinc/37/74/92/479377492.db2.gz YDRLTVCMOPZVFU-GOSISDBHSA-N 1 3 328.504 2.854 20 30 EFEDHO C[C@H](CCC#N)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665647 479460798 /nfs/dbraw/zinc/46/07/98/479460798.db2.gz WNTAIQUQIIKZQJ-TZIWHRDSSA-N 1 3 340.515 2.818 20 30 EFEDHO C[C@H](CCC#N)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665647 479460807 /nfs/dbraw/zinc/46/08/07/479460807.db2.gz WNTAIQUQIIKZQJ-TZIWHRDSSA-N 1 3 340.515 2.818 20 30 EFEDHO CN1CCN(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000619673847 479854085 /nfs/dbraw/zinc/85/40/85/479854085.db2.gz OGSZLZSBHJEVOG-IBGZPJMESA-N 1 3 326.488 2.551 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)C(C)C ZINC000667732714 481770437 /nfs/dbraw/zinc/77/04/37/481770437.db2.gz QAVGMFOWMZQUCX-GOSISDBHSA-N 1 3 330.476 2.965 20 30 EFEDHO C=CC[C@]1(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CCC[NH2+]1 ZINC000662678527 481930620 /nfs/dbraw/zinc/93/06/20/481930620.db2.gz GTQKZVBDFHHTGA-SJLPKXTDSA-N 1 3 335.517 2.946 20 30 EFEDHO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCCC1 ZINC000181534857 524736277 /nfs/dbraw/zinc/73/62/77/524736277.db2.gz RTQQTARAIMTCOD-SFHVURJKSA-N 1 3 340.515 2.844 20 30 EFEDHO C=C(C)C[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001752211342 1249360317 /nfs/dbraw/zinc/36/03/17/1249360317.db2.gz ARUVDRNVRCCOLJ-GOSISDBHSA-N 1 3 327.488 2.603 20 30 EFEDHO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001752211342 1249360321 /nfs/dbraw/zinc/36/03/21/1249360321.db2.gz ARUVDRNVRCCOLJ-GOSISDBHSA-N 1 3 327.488 2.603 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211695095 1249676495 /nfs/dbraw/zinc/67/64/95/1249676495.db2.gz KFEYZNMSDQOPBI-VQTJNVASSA-N 1 3 343.515 2.879 20 30 EFEDHO CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707222 1250832467 /nfs/dbraw/zinc/83/24/67/1250832467.db2.gz MVHLMPHUSCNTDO-PMACEKPBSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707222 1250832479 /nfs/dbraw/zinc/83/24/79/1250832479.db2.gz MVHLMPHUSCNTDO-PMACEKPBSA-N 1 3 347.547 2.835 20 30 EFEDHO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000719925775 1251377132 /nfs/dbraw/zinc/37/71/32/1251377132.db2.gz PWVDWGJCFDYRDX-RBUKOAKNSA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000719925775 1251377139 /nfs/dbraw/zinc/37/71/39/1251377139.db2.gz PWVDWGJCFDYRDX-RBUKOAKNSA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCC#N ZINC000719925775 1251377148 /nfs/dbraw/zinc/37/71/48/1251377148.db2.gz PWVDWGJCFDYRDX-RBUKOAKNSA-N 1 3 342.487 2.521 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089685868 1252171943 /nfs/dbraw/zinc/17/19/43/1252171943.db2.gz GEKZKTZHLXALLG-OKZBNKHCSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089685868 1252171948 /nfs/dbraw/zinc/17/19/48/1252171948.db2.gz GEKZKTZHLXALLG-OKZBNKHCSA-N 1 3 335.536 2.900 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CCC=C)CC1 ZINC001089735904 1252342087 /nfs/dbraw/zinc/34/20/87/1252342087.db2.gz QMQPLNUCPMJTEF-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC=C)CC1 ZINC001089735904 1252342090 /nfs/dbraw/zinc/34/20/90/1252342090.db2.gz QMQPLNUCPMJTEF-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107409327 1255757878 /nfs/dbraw/zinc/75/78/78/1255757878.db2.gz QBFGXGUBRBPBAI-WIYYLYMNSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107409327 1255757882 /nfs/dbraw/zinc/75/78/82/1255757882.db2.gz QBFGXGUBRBPBAI-WIYYLYMNSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098820236 1255817647 /nfs/dbraw/zinc/81/76/47/1255817647.db2.gz HBPKKRDGEUCTJG-ICSRJNTNSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485109 1255951830 /nfs/dbraw/zinc/95/18/30/1255951830.db2.gz KDEGPTRIBQAOFE-SFHLNBCPSA-N 1 3 345.531 2.798 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485109 1255951837 /nfs/dbraw/zinc/95/18/37/1255951837.db2.gz KDEGPTRIBQAOFE-SFHLNBCPSA-N 1 3 345.531 2.798 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533990 1256069880 /nfs/dbraw/zinc/06/98/80/1256069880.db2.gz QVSSYCFWAUNOHV-QWFCFKBJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533990 1256069886 /nfs/dbraw/zinc/06/98/86/1256069886.db2.gz QVSSYCFWAUNOHV-QWFCFKBJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406096 1257125990 /nfs/dbraw/zinc/12/59/90/1257125990.db2.gz VUBKLJULYYJYGU-WDSOQIARSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406096 1257125992 /nfs/dbraw/zinc/12/59/92/1257125992.db2.gz VUBKLJULYYJYGU-WDSOQIARSA-N 1 3 331.504 2.502 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CC=C(C)C)CC2)CC1 ZINC000997433465 1257578890 /nfs/dbraw/zinc/57/88/90/1257578890.db2.gz HNAOITJJTPVKDZ-GOSISDBHSA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538872 1258267132 /nfs/dbraw/zinc/26/71/32/1258267132.db2.gz WOWABOIHWDFOOO-OALUTQOASA-N 1 3 341.499 2.656 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102191 1259113533 /nfs/dbraw/zinc/11/35/33/1259113533.db2.gz LHSDOIAUTDRSQJ-PMACEKPBSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102191 1259113536 /nfs/dbraw/zinc/11/35/36/1259113536.db2.gz LHSDOIAUTDRSQJ-PMACEKPBSA-N 1 3 347.547 2.835 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000708530669 1259763717 /nfs/dbraw/zinc/76/37/17/1259763717.db2.gz UPBKKVIABGURSH-ZPMCFJSWSA-N 1 3 349.478 2.949 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000708530669 1259763725 /nfs/dbraw/zinc/76/37/25/1259763725.db2.gz UPBKKVIABGURSH-ZPMCFJSWSA-N 1 3 349.478 2.949 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901549 1260072075 /nfs/dbraw/zinc/07/20/75/1260072075.db2.gz MXGKBFUCNUFUOI-PCKAHOCUSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998901549 1260072084 /nfs/dbraw/zinc/07/20/84/1260072084.db2.gz MXGKBFUCNUFUOI-PCKAHOCUSA-N 1 3 327.900 2.581 20 30 EFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001112539998 1260402942 /nfs/dbraw/zinc/40/29/42/1260402942.db2.gz ALFACKMXCPVBJD-HBFSDRIKSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000999504320 1260693911 /nfs/dbraw/zinc/69/39/11/1260693911.db2.gz ZCGFBLJHSLXFFW-QQFBHYJXSA-N 1 3 327.900 2.582 20 30 EFEDHO N#Cc1cc(F)ccc1N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923415463 1261629221 /nfs/dbraw/zinc/62/92/21/1261629221.db2.gz QCUQOQUYWQWZOO-QNBRMCRTSA-N 1 3 342.462 2.740 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049705 1265030066 /nfs/dbraw/zinc/03/00/66/1265030066.db2.gz SXGZGXUBKSGCGL-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049705 1265030068 /nfs/dbraw/zinc/03/00/68/1265030068.db2.gz SXGZGXUBKSGCGL-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101204 1265143521 /nfs/dbraw/zinc/14/35/21/1265143521.db2.gz GIRCLOQTAWCABE-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083105 1266451306 /nfs/dbraw/zinc/45/13/06/1266451306.db2.gz XKTQBSCLZJWDKO-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083105 1266451308 /nfs/dbraw/zinc/45/13/08/1266451308.db2.gz XKTQBSCLZJWDKO-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592613 1266586916 /nfs/dbraw/zinc/58/69/16/1266586916.db2.gz SVBJJBWPAIMHQU-KDURUIRLSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592613 1266586918 /nfs/dbraw/zinc/58/69/18/1266586918.db2.gz SVBJJBWPAIMHQU-KDURUIRLSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001085284646 1267018310 /nfs/dbraw/zinc/01/83/10/1267018310.db2.gz FSZJQKLASDWELG-BRWVUGGUSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456326 1267083728 /nfs/dbraw/zinc/08/37/28/1267083728.db2.gz DLUMMOMSMFJEKK-WOJBJXKFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456326 1267083735 /nfs/dbraw/zinc/08/37/35/1267083735.db2.gz DLUMMOMSMFJEKK-WOJBJXKFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463429 1267088864 /nfs/dbraw/zinc/08/88/64/1267088864.db2.gz KCTWHRCAWFELPB-OALUTQOASA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463429 1267088873 /nfs/dbraw/zinc/08/88/73/1267088873.db2.gz KCTWHRCAWFELPB-OALUTQOASA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004459431 1267098350 /nfs/dbraw/zinc/09/83/50/1267098350.db2.gz QQQHVWQDCTYVJZ-IBGZPJMESA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004459431 1267098361 /nfs/dbraw/zinc/09/83/61/1267098361.db2.gz QQQHVWQDCTYVJZ-IBGZPJMESA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549421 1267275390 /nfs/dbraw/zinc/27/53/90/1267275390.db2.gz ZBOOISUMRKUSAW-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549421 1267275396 /nfs/dbraw/zinc/27/53/96/1267275396.db2.gz ZBOOISUMRKUSAW-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004619012 1267414499 /nfs/dbraw/zinc/41/44/99/1267414499.db2.gz ZEFQKASEAGJYGV-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004619012 1267414506 /nfs/dbraw/zinc/41/45/06/1267414506.db2.gz ZEFQKASEAGJYGV-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781750 1268503310 /nfs/dbraw/zinc/50/33/10/1268503310.db2.gz DMZLFFZHHBKTQJ-RBUKOAKNSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781750 1268503321 /nfs/dbraw/zinc/50/33/21/1268503321.db2.gz DMZLFFZHHBKTQJ-RBUKOAKNSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779097 1268505709 /nfs/dbraw/zinc/50/57/09/1268505709.db2.gz GHIRZRBQKFDUBO-GBESFXJTSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779097 1268505720 /nfs/dbraw/zinc/50/57/20/1268505720.db2.gz GHIRZRBQKFDUBO-GBESFXJTSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086106965 1269997906 /nfs/dbraw/zinc/99/79/06/1269997906.db2.gz GAZFDHMUWWDXRM-HLLBOEOZSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106965 1269997913 /nfs/dbraw/zinc/99/79/13/1269997913.db2.gz GAZFDHMUWWDXRM-HLLBOEOZSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989961 1270783070 /nfs/dbraw/zinc/78/30/70/1270783070.db2.gz RIJXRBIHDCQQCH-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CN1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329349 1271669542 /nfs/dbraw/zinc/66/95/42/1271669542.db2.gz GYBNGBZYJXYBCA-IBGZPJMESA-N 1 3 343.515 2.951 20 30 EFEDHO C=CCN1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332550 1271677726 /nfs/dbraw/zinc/67/77/26/1271677726.db2.gz ZRQQVCLTVFAHMR-GOSISDBHSA-N 1 3 329.488 2.561 20 30 EFEDHO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273136303 1272562339 /nfs/dbraw/zinc/56/23/39/1272562339.db2.gz LCSSUQNDPFHZAH-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273136303 1272562341 /nfs/dbraw/zinc/56/23/41/1272562341.db2.gz LCSSUQNDPFHZAH-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108687701 1273361678 /nfs/dbraw/zinc/36/16/78/1273361678.db2.gz IAOIFZCTCTWRDT-KSZLIROESA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086530279 1273736997 /nfs/dbraw/zinc/73/69/97/1273736997.db2.gz POCLEROIXJGBQB-BRWVUGGUSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530279 1273737001 /nfs/dbraw/zinc/73/70/01/1273737001.db2.gz POCLEROIXJGBQB-BRWVUGGUSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035705132 1274382635 /nfs/dbraw/zinc/38/26/35/1274382635.db2.gz VHRUWMKAGUOFDE-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035719805 1274404774 /nfs/dbraw/zinc/40/47/74/1274404774.db2.gz AYZSUOFODUJYOQ-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035719805 1274404776 /nfs/dbraw/zinc/40/47/76/1274404776.db2.gz AYZSUOFODUJYOQ-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)CC2 ZINC001035737102 1274428629 /nfs/dbraw/zinc/42/86/29/1274428629.db2.gz SVOUFHAKRDFUIL-UHFFFAOYSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035737102 1274428634 /nfs/dbraw/zinc/42/86/34/1274428634.db2.gz SVOUFHAKRDFUIL-UHFFFAOYSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836110 1274573510 /nfs/dbraw/zinc/57/35/10/1274573510.db2.gz GHXUOJUQTYEMEH-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548782 1275129556 /nfs/dbraw/zinc/12/95/56/1275129556.db2.gz RIOBRBZKPCKZDD-HBFSDRIKSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586433 1275312373 /nfs/dbraw/zinc/31/23/73/1275312373.db2.gz YUMHJRGHEBBAEW-HBFSDRIKSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036302546 1275383709 /nfs/dbraw/zinc/38/37/09/1275383709.db2.gz JIJUAGIGOWBIFQ-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036302550 1275384175 /nfs/dbraw/zinc/38/41/75/1275384175.db2.gz JIJUAGIGOWBIFQ-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036304871 1275388396 /nfs/dbraw/zinc/38/83/96/1275388396.db2.gz RINWGCOXARFSHI-KDOFPFPSSA-N 1 3 349.906 2.941 20 30 EFEDHO N#CCOc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919995 1276378531 /nfs/dbraw/zinc/37/85/31/1276378531.db2.gz YCLIZKMDQCXFNS-PZJWPPBQSA-N 1 3 349.434 2.934 20 30 EFEDHO N#Cc1ccc([C@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000818943075 1276554924 /nfs/dbraw/zinc/55/49/24/1276554924.db2.gz OXBDLVWIBYWNAF-OAQYLSRUSA-N 1 3 335.451 2.977 20 30 EFEDHO C=CCCCCCN1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071242 1276772890 /nfs/dbraw/zinc/77/28/90/1276772890.db2.gz MKDWPICCBOJBNH-UHFFFAOYSA-N 1 3 326.444 2.839 20 30 EFEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005988435 1277304665 /nfs/dbraw/zinc/30/46/65/1277304665.db2.gz VQXBNMMNPDLGJW-IBGZPJMESA-N 1 3 339.499 2.698 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114287399 1280128822 /nfs/dbraw/zinc/12/88/22/1280128822.db2.gz KNKQAHOTZPZADA-WNRNVDISSA-N 1 3 333.520 2.652 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114287399 1280128830 /nfs/dbraw/zinc/12/88/30/1280128830.db2.gz KNKQAHOTZPZADA-WNRNVDISSA-N 1 3 333.520 2.652 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148291628 1281496346 /nfs/dbraw/zinc/49/63/46/1281496346.db2.gz ATGNRGDZXSQISO-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148291628 1281496350 /nfs/dbraw/zinc/49/63/50/1281496350.db2.gz ATGNRGDZXSQISO-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941235 1281969625 /nfs/dbraw/zinc/96/96/25/1281969625.db2.gz NVMIHTZWXFJOJZ-GOSISDBHSA-N 1 3 347.547 2.997 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928150 1281989706 /nfs/dbraw/zinc/98/97/06/1281989706.db2.gz WPQXSODELVMYSK-OALUTQOASA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928150 1281989710 /nfs/dbraw/zinc/98/97/10/1281989710.db2.gz WPQXSODELVMYSK-OALUTQOASA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025055 1283165379 /nfs/dbraw/zinc/16/53/79/1283165379.db2.gz OUVBPZJOHMKEFN-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025055 1283165385 /nfs/dbraw/zinc/16/53/85/1283165385.db2.gz OUVBPZJOHMKEFN-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717701 1283223786 /nfs/dbraw/zinc/22/37/86/1283223786.db2.gz ZUOWSADULDYTPZ-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717701 1283223792 /nfs/dbraw/zinc/22/37/92/1283223792.db2.gz ZUOWSADULDYTPZ-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC/C=C\CC)C2)CC1 ZINC001132518640 1283777535 /nfs/dbraw/zinc/77/75/35/1283777535.db2.gz MBUNGTBRALHSIV-CWHLKURSSA-N 1 3 345.531 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC/C=C\CC)C2)CC1 ZINC001132518640 1283777544 /nfs/dbraw/zinc/77/75/44/1283777544.db2.gz MBUNGTBRALHSIV-CWHLKURSSA-N 1 3 345.531 2.657 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093371652 1283808430 /nfs/dbraw/zinc/80/84/30/1283808430.db2.gz AMFANZCPEAUADU-RTBURBONSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093371652 1283808439 /nfs/dbraw/zinc/80/84/39/1283808439.db2.gz AMFANZCPEAUADU-RTBURBONSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379675 1283840089 /nfs/dbraw/zinc/84/00/89/1283840089.db2.gz FYCLTMXLORKAEO-RBUKOAKNSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379675 1283840098 /nfs/dbraw/zinc/84/00/98/1283840098.db2.gz FYCLTMXLORKAEO-RBUKOAKNSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132823662 1284334518 /nfs/dbraw/zinc/33/45/18/1284334518.db2.gz KBSDKZONBXTBBL-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132932648 1284485342 /nfs/dbraw/zinc/48/53/42/1284485342.db2.gz KOWNKXLUWVOPAK-ZFWWWQNUSA-N 1 3 329.916 2.543 20 30 EFEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135916 1284851190 /nfs/dbraw/zinc/85/11/90/1284851190.db2.gz ZCSZENIWLIIJNL-SJORKVTESA-N 1 3 332.492 2.773 20 30 EFEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133185668 1284952614 /nfs/dbraw/zinc/95/26/14/1284952614.db2.gz HBFQPCBMEPYFDZ-OALUTQOASA-N 1 3 335.536 2.596 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133336818 1285214126 /nfs/dbraw/zinc/21/41/26/1285214126.db2.gz GBULPOXNAVAJRL-QFBILLFUSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C1CC1)N(C)C ZINC001133398379 1285316029 /nfs/dbraw/zinc/31/60/29/1285316029.db2.gz SUEYVIWDLFEICG-GOSISDBHSA-N 1 3 349.906 2.784 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036903102 1285385135 /nfs/dbraw/zinc/38/51/35/1285385135.db2.gz VOPCOCFVGGXIQZ-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036903102 1285385146 /nfs/dbraw/zinc/38/51/46/1285385146.db2.gz VOPCOCFVGGXIQZ-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161478 1285500487 /nfs/dbraw/zinc/50/04/87/1285500487.db2.gz GVTRSEUASRHHPE-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161478 1285500495 /nfs/dbraw/zinc/50/04/95/1285500495.db2.gz GVTRSEUASRHHPE-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001171509420 1285618168 /nfs/dbraw/zinc/61/81/68/1285618168.db2.gz PNADWIWKQZOTBQ-QFBILLFUSA-N 1 3 344.503 2.663 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCCC#N)cc2)CC1 ZINC001172482702 1286145010 /nfs/dbraw/zinc/14/50/10/1286145010.db2.gz JMZFKZKWAPXBTH-GOSISDBHSA-N 1 3 328.504 2.996 20 30 EFEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095061309 1286471308 /nfs/dbraw/zinc/47/13/08/1286471308.db2.gz SZCAGYIGTQMMPW-WDSOQIARSA-N 1 3 327.472 2.517 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095063244 1286473306 /nfs/dbraw/zinc/47/33/06/1286473306.db2.gz VRIPEVNWJNRSNC-WDSOQIARSA-N 1 3 341.499 2.907 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC)CC1 ZINC001176737078 1288087782 /nfs/dbraw/zinc/08/77/82/1288087782.db2.gz HGPGDJDNPUBISL-MSOLQXFVSA-N 1 3 335.536 2.642 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086783606 1288392558 /nfs/dbraw/zinc/39/25/58/1288392558.db2.gz IFXZRPIQPMAQKJ-GVDBMIGSSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783606 1288392564 /nfs/dbraw/zinc/39/25/64/1288392564.db2.gz IFXZRPIQPMAQKJ-GVDBMIGSSA-N 1 3 341.927 2.735 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1CCC ZINC001177336006 1288396955 /nfs/dbraw/zinc/39/69/55/1288396955.db2.gz PPOVBIXKTRAOBA-HXUWFJFHSA-N 1 3 347.547 2.883 20 30 EFEDHO C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431116 1288437938 /nfs/dbraw/zinc/43/79/38/1288437938.db2.gz KPWQHQLJYXCNJD-UHFFFAOYSA-N 1 3 332.492 2.917 20 30 EFEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H](F)CN(CC)CC ZINC001178612342 1288838037 /nfs/dbraw/zinc/83/80/37/1288838037.db2.gz WJUKPLKRUKLHSH-HNNXBMFYSA-N 1 3 335.895 2.685 20 30 EFEDHO CC(C)OCC[NH+]1CCC2(CCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277657215 1312690167 /nfs/dbraw/zinc/69/01/67/1312690167.db2.gz FEPXWEWDMVGIIO-UHFFFAOYSA-N 1 3 344.503 2.610 20 30 EFEDHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001179609702 1289198246 /nfs/dbraw/zinc/19/82/46/1289198246.db2.gz YFZLKXQWCGSIEA-IBGZPJMESA-N 1 3 344.503 2.665 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC2CC(C)C2)CC1 ZINC001180360308 1289495384 /nfs/dbraw/zinc/49/53/84/1289495384.db2.gz CGZOSQWHGSPCCW-UHFFFAOYSA-N 1 3 347.547 2.644 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)CN(CC)CC ZINC001171061068 1289736151 /nfs/dbraw/zinc/73/61/51/1289736151.db2.gz QCEXPQNOJIUHDK-GJZGRUSLSA-N 1 3 335.895 2.683 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185360968 1290650847 /nfs/dbraw/zinc/65/08/47/1290650847.db2.gz RHRNADYIPIROJC-RTBURBONSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185360967 1290650915 /nfs/dbraw/zinc/65/09/15/1290650915.db2.gz RHRNADYIPIROJC-RBUKOAKNSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185381831 1290663237 /nfs/dbraw/zinc/66/32/37/1290663237.db2.gz SIIVUKMOSMZVKA-RBUKOAKNSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185749734 1290762669 /nfs/dbraw/zinc/76/26/69/1290762669.db2.gz DYFIBBJBERLMBS-IRXDYDNUSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687790 1312820502 /nfs/dbraw/zinc/82/05/02/1312820502.db2.gz ZXKQSTPGDWHWSO-MAUKXSAKSA-N 1 3 327.488 2.650 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000249114950 1291308827 /nfs/dbraw/zinc/30/88/27/1291308827.db2.gz DLWKNWGDWDHRDG-LSDHHAIUSA-N 1 3 342.409 2.721 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312564 1291669627 /nfs/dbraw/zinc/66/96/27/1291669627.db2.gz VQMMAHIMAZMKJA-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312564 1291669634 /nfs/dbraw/zinc/66/96/34/1291669634.db2.gz VQMMAHIMAZMKJA-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517135 1291697829 /nfs/dbraw/zinc/69/78/29/1291697829.db2.gz KESHFELGHLAIAR-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517171 1291697937 /nfs/dbraw/zinc/69/79/37/1291697937.db2.gz LHVROZMSBCBLTE-MRXNPFEDSA-N 1 3 339.911 2.538 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559352 1291765575 /nfs/dbraw/zinc/76/55/75/1291765575.db2.gz GKPOBWZJWSUWJW-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC000957568586 1291780587 /nfs/dbraw/zinc/78/05/87/1291780587.db2.gz LXINEQHAOUVJJA-MRXNPFEDSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016611745 1312880987 /nfs/dbraw/zinc/88/09/87/1312880987.db2.gz FSRBFKLECKKBRD-ROUUACIJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000957603771 1291857438 /nfs/dbraw/zinc/85/74/38/1291857438.db2.gz YHOZELAOIOFBKA-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605445 1291860655 /nfs/dbraw/zinc/86/06/55/1291860655.db2.gz CCRYAHPHTZZQEH-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475743 1312903467 /nfs/dbraw/zinc/90/34/67/1312903467.db2.gz ARHOODDAGLKMOS-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475743 1312903470 /nfs/dbraw/zinc/90/34/70/1312903470.db2.gz ARHOODDAGLKMOS-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428330 1312922367 /nfs/dbraw/zinc/92/23/67/1312922367.db2.gz XXVGGYHKVAJPGE-SJORKVTESA-N 1 3 335.536 2.948 20 30 EFEDHO C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016709635 1312938969 /nfs/dbraw/zinc/93/89/69/1312938969.db2.gz NNNPYPCUIJWRNW-MRXNPFEDSA-N 1 3 344.846 2.671 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525825 1312966964 /nfs/dbraw/zinc/96/69/64/1312966964.db2.gz RFXYAEWJIBWANI-OTWHNJEPSA-N 1 3 331.504 2.645 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049525825 1312966967 /nfs/dbraw/zinc/96/69/67/1312966967.db2.gz RFXYAEWJIBWANI-OTWHNJEPSA-N 1 3 331.504 2.645 20 30 EFEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001203771804 1313011401 /nfs/dbraw/zinc/01/14/01/1313011401.db2.gz PAXZYIFJLTZBRO-MOPGFXCFSA-N 1 3 341.499 2.955 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862000 1313015888 /nfs/dbraw/zinc/01/58/88/1313015888.db2.gz RLOWQKUMUXIXOY-QZTJIDSGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCCCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196162828 1294153790 /nfs/dbraw/zinc/15/37/90/1294153790.db2.gz BBHNBEJNVKNICQ-LJQANCHMSA-N 1 3 333.520 2.894 20 30 EFEDHO C=CCCCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196162828 1294153793 /nfs/dbraw/zinc/15/37/93/1294153793.db2.gz BBHNBEJNVKNICQ-LJQANCHMSA-N 1 3 333.520 2.894 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](Nc1ccccc1)C(C)C ZINC000303774867 1294577306 /nfs/dbraw/zinc/57/73/06/1294577306.db2.gz GGPLLHQVDBPJGE-ROUUACIJSA-N 1 3 331.508 2.512 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000303881936 1294598343 /nfs/dbraw/zinc/59/83/43/1294598343.db2.gz HYBQWMZISHJDAB-KBPBESRZSA-N 1 3 334.464 2.551 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC(C)C ZINC000303885111 1294598518 /nfs/dbraw/zinc/59/85/18/1294598518.db2.gz MZBHTBRPRCNSPA-KRWDZBQOSA-N 1 3 332.492 2.610 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)cc1OC ZINC000303893012 1294600130 /nfs/dbraw/zinc/60/01/30/1294600130.db2.gz NZHDDPJUCHFZMF-UONOGXRCSA-N 1 3 334.464 2.693 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1OC ZINC000303898717 1294600654 /nfs/dbraw/zinc/60/06/54/1294600654.db2.gz VQOYFMBXCIMDSS-LIRRHRJNSA-N 1 3 348.491 2.941 20 30 EFEDHO CCCCOc1ccc(CCNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000303902335 1294601470 /nfs/dbraw/zinc/60/14/70/1294601470.db2.gz TVVYQJINEIAGTJ-GOSISDBHSA-N 1 3 346.519 2.797 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615347 1313089161 /nfs/dbraw/zinc/08/91/61/1313089161.db2.gz JEFBECOAAQJPAU-GUDVDZBRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615347 1313089165 /nfs/dbraw/zinc/08/91/65/1313089165.db2.gz JEFBECOAAQJPAU-GUDVDZBRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615348 1313089282 /nfs/dbraw/zinc/08/92/82/1313089282.db2.gz JEFBECOAAQJPAU-IPMKNSEASA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615348 1313089287 /nfs/dbraw/zinc/08/92/87/1313089287.db2.gz JEFBECOAAQJPAU-IPMKNSEASA-N 1 3 331.504 2.502 20 30 EFEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345897 1313109101 /nfs/dbraw/zinc/10/91/01/1313109101.db2.gz NRXZZJPHKRLPEE-MOPGFXCFSA-N 1 3 335.536 2.831 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CCCCCC=C)CC2)CC1 ZINC001198236636 1294948811 /nfs/dbraw/zinc/94/88/11/1294948811.db2.gz QFLNRSMJBWEWRF-UHFFFAOYSA-N 1 3 345.531 2.612 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CCCCCC=C)CC2)CC1 ZINC001198236636 1294948817 /nfs/dbraw/zinc/94/88/17/1294948817.db2.gz QFLNRSMJBWEWRF-UHFFFAOYSA-N 1 3 345.531 2.612 20 30 EFEDHO C=CCCN[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766750 1295240627 /nfs/dbraw/zinc/24/06/27/1295240627.db2.gz HCDPDSWMPWSETQ-MJGOQNOKSA-N 1 3 347.503 2.604 20 30 EFEDHO C=CCCCN[C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198864529 1295276699 /nfs/dbraw/zinc/27/66/99/1295276699.db2.gz BKZZCBQKKZAHNO-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCC1(C#N)CCOCC1 ZINC000887134156 1295288141 /nfs/dbraw/zinc/28/81/41/1295288141.db2.gz DCMIIKXERQWSOB-QGZVFWFLSA-N 1 3 328.460 2.693 20 30 EFEDHO C=CCC[NH2+][C@H](CNC(=O)CN1CCC[C@@H]1C)c1ccccc1OC ZINC001198902860 1295303579 /nfs/dbraw/zinc/30/35/79/1295303579.db2.gz QWCKFDSFBWVYON-FUHWJXTLSA-N 1 3 345.487 2.503 20 30 EFEDHO C=C(C)CCN[C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865452 1295306336 /nfs/dbraw/zinc/30/63/36/1295306336.db2.gz KXFKRCCEACTKGE-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)cc1OC ZINC000104181365 1295733149 /nfs/dbraw/zinc/73/31/49/1295733149.db2.gz NIYDDEDBPPKFQJ-AWEZNQCLSA-N 1 3 334.464 2.551 20 30 EFEDHO CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)Oc1cccc(C)c1 ZINC000304759202 1295750970 /nfs/dbraw/zinc/75/09/70/1295750970.db2.gz QXYRMOLYPOXVEY-IRXDYDNUSA-N 1 3 332.492 2.541 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(Cl)c2)CC1 ZINC000304754092 1295751232 /nfs/dbraw/zinc/75/12/32/1295751232.db2.gz LOUYYHRHBCWTAK-INIZCTEOSA-N 1 3 334.895 2.760 20 30 EFEDHO CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCCN2CC)C12CCCCC2 ZINC000304805969 1295761076 /nfs/dbraw/zinc/76/10/76/1295761076.db2.gz RSTXQOBAWYGTNO-IXDOHACOSA-N 1 3 336.524 2.503 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717936 1313220022 /nfs/dbraw/zinc/22/00/22/1313220022.db2.gz HQKJUKSDZGIJBY-WOJBJXKFSA-N 1 3 341.499 2.656 20 30 EFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325929 1313270193 /nfs/dbraw/zinc/27/01/93/1313270193.db2.gz JBGSOBKOWPMDDM-RBUKOAKNSA-N 1 3 347.478 2.626 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768698 1313279304 /nfs/dbraw/zinc/27/93/04/1313279304.db2.gz YQMAGFLXRPOMED-GBESFXJTSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768698 1313279305 /nfs/dbraw/zinc/27/93/05/1313279305.db2.gz YQMAGFLXRPOMED-GBESFXJTSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000960297817 1296715198 /nfs/dbraw/zinc/71/51/98/1296715198.db2.gz XVSHVIAMXVCVQR-RTBURBONSA-N 1 3 341.499 2.809 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201411037 1296783823 /nfs/dbraw/zinc/78/38/23/1296783823.db2.gz NDOPRWBAWIIGRS-MSOLQXFVSA-N 1 3 341.540 2.504 20 30 EFEDHO CN(C)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428172 1313318840 /nfs/dbraw/zinc/31/88/40/1313318840.db2.gz PGQRFWPMKSPSOI-CVEARBPZSA-N 1 3 344.478 2.975 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835538 1313365545 /nfs/dbraw/zinc/36/55/45/1313365545.db2.gz JSHWHSSQRRRVKG-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835538 1313365548 /nfs/dbraw/zinc/36/55/48/1313365548.db2.gz JSHWHSSQRRRVKG-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837744 1313369066 /nfs/dbraw/zinc/36/90/66/1313369066.db2.gz REMPXPIXSKZBBW-XUVXKRRUSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1CCCC ZINC001049837744 1313369071 /nfs/dbraw/zinc/36/90/71/1313369071.db2.gz REMPXPIXSKZBBW-XUVXKRRUSA-N 1 3 345.531 2.730 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549754 1313408917 /nfs/dbraw/zinc/40/89/17/1313408917.db2.gz LRKOCHYKAGHMBC-HCXYKTFWSA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549754 1313408920 /nfs/dbraw/zinc/40/89/20/1313408920.db2.gz LRKOCHYKAGHMBC-HCXYKTFWSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555652 1313412020 /nfs/dbraw/zinc/41/20/20/1313412020.db2.gz RZSRTXIDPHHMDC-YSIASYRMSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555652 1313412023 /nfs/dbraw/zinc/41/20/23/1313412023.db2.gz RZSRTXIDPHHMDC-YSIASYRMSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206287396 1313431930 /nfs/dbraw/zinc/43/19/30/1313431930.db2.gz CAWCMRFCYTXHNS-UHFFFAOYSA-N 1 3 329.916 2.545 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915368 1313479716 /nfs/dbraw/zinc/47/97/16/1313479716.db2.gz UJROZUWIKQUIMC-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189203 1298275996 /nfs/dbraw/zinc/27/59/96/1298275996.db2.gz YKLNGVGRVNAGRF-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189203 1298276004 /nfs/dbraw/zinc/27/60/04/1298276004.db2.gz YKLNGVGRVNAGRF-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961340399 1298579743 /nfs/dbraw/zinc/57/97/43/1298579743.db2.gz KNRBCAZFGORTFR-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961340399 1298579748 /nfs/dbraw/zinc/57/97/48/1298579748.db2.gz KNRBCAZFGORTFR-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCc2cc(OC)ccc21 ZINC000305793249 1298869042 /nfs/dbraw/zinc/86/90/42/1298869042.db2.gz MHEGAJJRCSTSTQ-SJORKVTESA-N 1 3 344.503 2.504 20 30 EFEDHO C=C(C)C[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951485 1313568635 /nfs/dbraw/zinc/56/86/35/1313568635.db2.gz TWCMQFXMEIVCJO-UHFFFAOYSA-N 1 3 329.488 2.766 20 30 EFEDHO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963307039 1300559496 /nfs/dbraw/zinc/55/94/96/1300559496.db2.gz VWIWNHVFTFSXQZ-RTBURBONSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963307039 1300559503 /nfs/dbraw/zinc/55/95/03/1300559503.db2.gz VWIWNHVFTFSXQZ-RTBURBONSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315246 1300579824 /nfs/dbraw/zinc/57/98/24/1300579824.db2.gz SBYVUVJSLRISCY-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315246 1300579835 /nfs/dbraw/zinc/57/98/35/1300579835.db2.gz SBYVUVJSLRISCY-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360162 1300684807 /nfs/dbraw/zinc/68/48/07/1300684807.db2.gz KYKSOURSPDEPOH-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360162 1300684808 /nfs/dbraw/zinc/68/48/08/1300684808.db2.gz KYKSOURSPDEPOH-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176918 1313728350 /nfs/dbraw/zinc/72/83/50/1313728350.db2.gz SMUGCUGJXSVPIH-MKXGPGLRSA-N 1 3 333.520 2.748 20 30 EFEDHO C[NH+]1CCC(CN2CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC001238083983 1313757684 /nfs/dbraw/zinc/75/76/84/1313757684.db2.gz DYJAVKOOBBTQDP-UHFFFAOYSA-N 1 3 346.906 2.671 20 30 EFEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114368691 1302880000 /nfs/dbraw/zinc/88/00/00/1302880000.db2.gz QZAXADDXTJVTHU-ZSYWTGECSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114368691 1302880009 /nfs/dbraw/zinc/88/00/09/1302880009.db2.gz QZAXADDXTJVTHU-ZSYWTGECSA-N 1 3 333.520 2.654 20 30 EFEDHO CCCCCCCCNC(=S)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001239461964 1313941168 /nfs/dbraw/zinc/94/11/68/1313941168.db2.gz ZMWVUHTXUQTNEN-KRWDZBQOSA-N 1 3 342.597 2.837 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486137 1304009445 /nfs/dbraw/zinc/00/94/45/1304009445.db2.gz CKMLQLNIIFGMOL-GOEBONIOSA-N 1 3 335.517 2.826 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486137 1304009450 /nfs/dbraw/zinc/00/94/50/1304009450.db2.gz CKMLQLNIIFGMOL-GOEBONIOSA-N 1 3 335.517 2.826 20 30 EFEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1CC ZINC001037983142 1305589288 /nfs/dbraw/zinc/58/92/88/1305589288.db2.gz MBPWSKFMVQINHK-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC ZINC001037983143 1305589911 /nfs/dbraw/zinc/58/99/11/1305589911.db2.gz MBPWSKFMVQINHK-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968518068 1306424276 /nfs/dbraw/zinc/42/42/76/1306424276.db2.gz XMONMHLQHOMSFJ-QFBILLFUSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097579918 1314132374 /nfs/dbraw/zinc/13/23/74/1314132374.db2.gz KPWACPMUAIRLIS-YRXWBPOGSA-N 1 3 331.504 2.549 20 30 EFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097579918 1314132375 /nfs/dbraw/zinc/13/23/75/1314132375.db2.gz KPWACPMUAIRLIS-YRXWBPOGSA-N 1 3 331.504 2.549 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673212 1306555825 /nfs/dbraw/zinc/55/58/25/1306555825.db2.gz JBIRCOYYJODGHV-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673212 1306555830 /nfs/dbraw/zinc/55/58/30/1306555830.db2.gz JBIRCOYYJODGHV-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681090 1306563506 /nfs/dbraw/zinc/56/35/06/1306563506.db2.gz GQERGRDZTSLJJV-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCN(CCN1CCC2(CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276635598 1314144942 /nfs/dbraw/zinc/14/49/42/1314144942.db2.gz QBLBVAFYDLPVCY-UHFFFAOYSA-N 1 3 337.508 2.827 20 30 EFEDHO C=CCN(CCN1CCC2(CC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276635598 1314144943 /nfs/dbraw/zinc/14/49/43/1314144943.db2.gz QBLBVAFYDLPVCY-UHFFFAOYSA-N 1 3 337.508 2.827 20 30 EFEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CC(CC)CC)CC2)CC1 ZINC001045645719 1307496671 /nfs/dbraw/zinc/49/66/71/1307496671.db2.gz AAADPEJMWBMXEK-UHFFFAOYSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938299 1307940125 /nfs/dbraw/zinc/94/01/25/1307940125.db2.gz XAZYSOOQMZINRP-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938299 1307940127 /nfs/dbraw/zinc/94/01/27/1307940127.db2.gz XAZYSOOQMZINRP-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938302 1307940541 /nfs/dbraw/zinc/94/05/41/1307940541.db2.gz XAZYSOOQMZINRP-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938302 1307940546 /nfs/dbraw/zinc/94/05/46/1307940546.db2.gz XAZYSOOQMZINRP-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938300 1307941059 /nfs/dbraw/zinc/94/10/59/1307941059.db2.gz XAZYSOOQMZINRP-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938300 1307941062 /nfs/dbraw/zinc/94/10/62/1307941062.db2.gz XAZYSOOQMZINRP-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943894 1307959220 /nfs/dbraw/zinc/95/92/20/1307959220.db2.gz QVNYANRVSNOEJN-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943894 1307959224 /nfs/dbraw/zinc/95/92/24/1307959224.db2.gz QVNYANRVSNOEJN-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958876 1308001616 /nfs/dbraw/zinc/00/16/16/1308001616.db2.gz YTTSMMIWORPEFZ-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958876 1308001621 /nfs/dbraw/zinc/00/16/21/1308001621.db2.gz YTTSMMIWORPEFZ-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965046 1308018789 /nfs/dbraw/zinc/01/87/89/1308018789.db2.gz BRONPGHNGMABIL-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965046 1308018792 /nfs/dbraw/zinc/01/87/92/1308018792.db2.gz BRONPGHNGMABIL-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966846 1308023681 /nfs/dbraw/zinc/02/36/81/1308023681.db2.gz HXKSRTFPFPOMEC-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966846 1308023686 /nfs/dbraw/zinc/02/36/86/1308023686.db2.gz HXKSRTFPFPOMEC-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966847 1308023954 /nfs/dbraw/zinc/02/39/54/1308023954.db2.gz HXKSRTFPFPOMEC-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966847 1308023958 /nfs/dbraw/zinc/02/39/58/1308023958.db2.gz HXKSRTFPFPOMEC-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045973505 1308043544 /nfs/dbraw/zinc/04/35/44/1308043544.db2.gz SCOKBLHBPIUSAM-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045973505 1308043548 /nfs/dbraw/zinc/04/35/48/1308043548.db2.gz SCOKBLHBPIUSAM-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045973859 1308044807 /nfs/dbraw/zinc/04/48/07/1308044807.db2.gz VZPLZPAEMFHEKM-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097854509 1314274253 /nfs/dbraw/zinc/27/42/53/1314274253.db2.gz IQSXZJHRPRSBNI-AQNXPRMDSA-N 1 3 341.499 2.702 20 30 EFEDHO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046996814 1309885294 /nfs/dbraw/zinc/88/52/94/1309885294.db2.gz XQUPSRTXIRKSOW-HZPDHXFCSA-N 1 3 343.462 2.510 20 30 EFEDHO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046996814 1309885300 /nfs/dbraw/zinc/88/53/00/1309885300.db2.gz XQUPSRTXIRKSOW-HZPDHXFCSA-N 1 3 343.462 2.510 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047244141 1310400108 /nfs/dbraw/zinc/40/01/08/1310400108.db2.gz QGOOKTRPVVXRLK-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244666 1310401599 /nfs/dbraw/zinc/40/15/99/1310401599.db2.gz UIMJHWGPXNHSGX-UXHICEINSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259238 1310438455 /nfs/dbraw/zinc/43/84/55/1310438455.db2.gz MUELMFOSFAHWIZ-SFHVURJKSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714206 1311018398 /nfs/dbraw/zinc/01/83/98/1311018398.db2.gz SDEUSWRYELVMPL-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221714206 1311018399 /nfs/dbraw/zinc/01/83/99/1311018399.db2.gz SDEUSWRYELVMPL-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CC/C=C\CC)CC2)CC1 ZINC001225557979 1311543165 /nfs/dbraw/zinc/54/31/65/1311543165.db2.gz XTMHOEIHWGZCHT-WAYWQWQTSA-N 1 3 345.531 2.516 20 30 EFEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990472 1311830323 /nfs/dbraw/zinc/83/03/23/1311830323.db2.gz AXLBAXXYTAPYNC-FQEVSTJZSA-N 1 3 343.515 2.555 20 30 EFEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990472 1311830326 /nfs/dbraw/zinc/83/03/26/1311830326.db2.gz AXLBAXXYTAPYNC-FQEVSTJZSA-N 1 3 343.515 2.555 20 30 EFEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048530060 1311867570 /nfs/dbraw/zinc/86/75/70/1311867570.db2.gz DYROYOUARMQWOP-RDGPPVDQSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048530060 1311867573 /nfs/dbraw/zinc/86/75/73/1311867573.db2.gz DYROYOUARMQWOP-RDGPPVDQSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161391869 1311877765 /nfs/dbraw/zinc/87/77/65/1311877765.db2.gz XRZUDHCQQQIAAS-LJQANCHMSA-N 1 3 333.520 2.964 20 30 EFEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001161391869 1311877768 /nfs/dbraw/zinc/87/77/68/1311877768.db2.gz XRZUDHCQQQIAAS-LJQANCHMSA-N 1 3 333.520 2.964 20 30 EFEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001228602617 1311968536 /nfs/dbraw/zinc/96/85/36/1311968536.db2.gz IFAUABVAXWVKCV-GPMSIDNRSA-N 1 3 339.499 2.792 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@H+](CCCCC)CC2)CC1 ZINC001161946825 1312010844 /nfs/dbraw/zinc/01/08/44/1312010844.db2.gz GMWRZISEQHNLPD-UHFFFAOYSA-N 1 3 345.531 2.660 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@@H+](CCCCC)CC2)CC1 ZINC001161946825 1312010848 /nfs/dbraw/zinc/01/08/48/1312010848.db2.gz GMWRZISEQHNLPD-UHFFFAOYSA-N 1 3 345.531 2.660 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952671 1312012131 /nfs/dbraw/zinc/01/21/31/1312012131.db2.gz IIQGKLREULPEHW-FQEVSTJZSA-N 1 3 345.531 2.659 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161952672 1312012480 /nfs/dbraw/zinc/01/24/80/1312012480.db2.gz IIQGKLREULPEHW-HXUWFJFHSA-N 1 3 345.531 2.659 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162831650 1312186295 /nfs/dbraw/zinc/18/62/95/1312186295.db2.gz AGKALQRGFCHTAO-UHFFFAOYSA-N 1 3 343.515 2.708 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)N(C)C ZINC001162832659 1312186841 /nfs/dbraw/zinc/18/68/41/1312186841.db2.gz YLUGLMBHCWVLSS-FQEVSTJZSA-N 1 3 343.515 2.564 20 30 EFEDHO C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162840864 1312188007 /nfs/dbraw/zinc/18/80/07/1312188007.db2.gz FHFJAJUEWNIMTD-HXUWFJFHSA-N 1 3 345.531 2.954 20 30 EFEDHO C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162934395 1312206565 /nfs/dbraw/zinc/20/65/65/1312206565.db2.gz FHFJAJUEWNIMTD-FQEVSTJZSA-N 1 3 345.531 2.954 20 30 EFEDHO C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960430 1312212260 /nfs/dbraw/zinc/21/22/60/1312212260.db2.gz SICVMIPRXHHGIZ-UHFFFAOYSA-N 1 3 345.531 2.955 20 30 EFEDHO CCN(CC)CCNC(=[NH2+])Nc1cc(C#C[Si](C)(C)C)ccn1 ZINC001163128684 1312246646 /nfs/dbraw/zinc/24/66/46/1312246646.db2.gz AZBSSPLWKHLIFM-UHFFFAOYSA-N 1 3 331.540 2.589 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001230598554 1312278681 /nfs/dbraw/zinc/27/86/81/1312278681.db2.gz SIBWYQHQPZQOTA-OALUTQOASA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001230598554 1312278684 /nfs/dbraw/zinc/27/86/84/1312278684.db2.gz SIBWYQHQPZQOTA-OALUTQOASA-N 1 3 335.536 2.996 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230605460 1312280410 /nfs/dbraw/zinc/28/04/10/1312280410.db2.gz NQAYMWGFVBCGIG-LJQANCHMSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230605460 1312280414 /nfs/dbraw/zinc/28/04/14/1312280414.db2.gz NQAYMWGFVBCGIG-LJQANCHMSA-N 1 3 347.547 2.691 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610820 1312283315 /nfs/dbraw/zinc/28/33/15/1312283315.db2.gz IFVBMEHVTKXAKY-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610820 1312283317 /nfs/dbraw/zinc/28/33/17/1312283317.db2.gz IFVBMEHVTKXAKY-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052956275 1314516929 /nfs/dbraw/zinc/51/69/29/1314516929.db2.gz RAYCVCIQEMZNCS-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052956275 1314516934 /nfs/dbraw/zinc/51/69/34/1314516934.db2.gz RAYCVCIQEMZNCS-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC(C)C)CC1 ZINC001052989381 1314545725 /nfs/dbraw/zinc/54/57/25/1314545725.db2.gz CKWXAAXQTCGODJ-KDURUIRLSA-N 1 3 347.547 2.994 20 30 EFEDHO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC(C)C)CC1 ZINC001052989381 1314545730 /nfs/dbraw/zinc/54/57/30/1314545730.db2.gz CKWXAAXQTCGODJ-KDURUIRLSA-N 1 3 347.547 2.994 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042426 1314623495 /nfs/dbraw/zinc/62/34/95/1314623495.db2.gz PWEQNNYZKVNQTD-MOPGFXCFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042426 1314623499 /nfs/dbraw/zinc/62/34/99/1314623499.db2.gz PWEQNNYZKVNQTD-MOPGFXCFSA-N 1 3 347.547 2.855 20 30 EFEDHO N#Cc1ccc(N2CCN([C@H]3CCC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC001246863898 1314698649 /nfs/dbraw/zinc/69/86/49/1314698649.db2.gz GUMLMTRXLMEIRS-KRWDZBQOSA-N 1 3 342.462 2.742 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248076 1314817694 /nfs/dbraw/zinc/81/76/94/1314817694.db2.gz LUGDPFQKNBTLBB-PKOBYXMFSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248076 1314817698 /nfs/dbraw/zinc/81/76/98/1314817698.db2.gz LUGDPFQKNBTLBB-PKOBYXMFSA-N 1 3 333.520 2.798 20 30 EFEDHO N#C[C@@H]1CNC[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834369 1315116241 /nfs/dbraw/zinc/11/62/41/1315116241.db2.gz WZULTFURAYJFKE-APWZRJJASA-N 1 3 325.457 2.851 20 30 EFEDHO N#C[C@@H]1CNC[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834374 1315116294 /nfs/dbraw/zinc/11/62/94/1315116294.db2.gz WZULTFURAYJFKE-VQIMIIECSA-N 1 3 325.457 2.851 20 30 EFEDHO N#C[C@H]1CNC[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217833214 1315116420 /nfs/dbraw/zinc/11/64/20/1315116420.db2.gz RMIDCYASVJGKCT-AZUAARDMSA-N 1 3 343.471 2.570 20 30 EFEDHO CCc1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc(CC)c1C#N ZINC001219112610 1315282305 /nfs/dbraw/zinc/28/23/05/1315282305.db2.gz OBJFMDFHIBRQKS-SFHVURJKSA-N 1 3 330.476 2.681 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054156824 1315383363 /nfs/dbraw/zinc/38/33/63/1315383363.db2.gz YOVQXHJDASSUDZ-NRFANRHFSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156824 1315383368 /nfs/dbraw/zinc/38/33/68/1315383368.db2.gz YOVQXHJDASSUDZ-NRFANRHFSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197794 1315442365 /nfs/dbraw/zinc/44/23/65/1315442365.db2.gz ISFWJCHAJTUHSN-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197794 1315442370 /nfs/dbraw/zinc/44/23/70/1315442370.db2.gz ISFWJCHAJTUHSN-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCOC[C@H](O)C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001252460526 1315452570 /nfs/dbraw/zinc/45/25/70/1315452570.db2.gz CPCNZBKGKKOOPE-IEBWSBKVSA-N 1 3 348.487 2.520 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209115 1315459434 /nfs/dbraw/zinc/45/94/34/1315459434.db2.gz JPWBEWBIDSWWFU-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209115 1315459437 /nfs/dbraw/zinc/45/94/37/1315459437.db2.gz JPWBEWBIDSWWFU-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209630 1315460285 /nfs/dbraw/zinc/46/02/85/1315460285.db2.gz UIVTYOZHOWLGGV-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209630 1315460288 /nfs/dbraw/zinc/46/02/88/1315460288.db2.gz UIVTYOZHOWLGGV-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209881 1315462014 /nfs/dbraw/zinc/46/20/14/1315462014.db2.gz ZVIPDBSEJOWCIS-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209881 1315462018 /nfs/dbraw/zinc/46/20/18/1315462018.db2.gz ZVIPDBSEJOWCIS-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244405 1315515676 /nfs/dbraw/zinc/51/56/76/1315515676.db2.gz FCYPBDRIVNCQMR-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244405 1315515680 /nfs/dbraw/zinc/51/56/80/1315515680.db2.gz FCYPBDRIVNCQMR-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244828 1315515760 /nfs/dbraw/zinc/51/57/60/1315515760.db2.gz JEYVVVOVCWKEOQ-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244828 1315515765 /nfs/dbraw/zinc/51/57/65/1315515765.db2.gz JEYVVVOVCWKEOQ-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166496 1315566423 /nfs/dbraw/zinc/56/64/23/1315566423.db2.gz ZFKHVXKNDMOKKB-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166496 1315566427 /nfs/dbraw/zinc/56/64/27/1315566427.db2.gz ZFKHVXKNDMOKKB-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182497 1315589823 /nfs/dbraw/zinc/58/98/23/1315589823.db2.gz PBURGQDMGQHXBE-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182497 1315589825 /nfs/dbraw/zinc/58/98/25/1315589825.db2.gz PBURGQDMGQHXBE-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278747243 1315650327 /nfs/dbraw/zinc/65/03/27/1315650327.db2.gz JGJVOKKMUXVAHT-JKSUJKDBSA-N 1 3 345.478 2.612 20 30 EFEDHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278747243 1315650330 /nfs/dbraw/zinc/65/03/30/1315650330.db2.gz JGJVOKKMUXVAHT-JKSUJKDBSA-N 1 3 345.478 2.612 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236860 1315661401 /nfs/dbraw/zinc/66/14/01/1315661401.db2.gz FVVJWAXJRJOLBO-AEFFLSMTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236860 1315661403 /nfs/dbraw/zinc/66/14/03/1315661403.db2.gz FVVJWAXJRJOLBO-AEFFLSMTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@@H]1C ZINC001039298086 1315707165 /nfs/dbraw/zinc/70/71/65/1315707165.db2.gz JKKGVKXAHWNMPJ-XYTVBORESA-N 1 3 339.911 2.725 20 30 EFEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039302172 1315709253 /nfs/dbraw/zinc/70/92/53/1315709253.db2.gz ZHOSVZKQBUOGCP-IPQPSQTFSA-N 1 3 333.520 2.937 20 30 EFEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001039304352 1315709840 /nfs/dbraw/zinc/70/98/40/1315709840.db2.gz GRPQUQZCIDQOJS-YQQQUEKLSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H](C)CCN(CC)CC)CC2 ZINC001255955572 1315884644 /nfs/dbraw/zinc/88/46/44/1315884644.db2.gz BZUJSHNOVZNTLD-KRWDZBQOSA-N 1 3 337.508 2.827 20 30 EFEDHO C=CCN1C(=O)CCC12CC[NH+](C1CCN(C(C)(C)C)CC1)CC2 ZINC001256574503 1315962103 /nfs/dbraw/zinc/96/21/03/1315962103.db2.gz XHWBJIIWRLECII-UHFFFAOYSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014117 1316110053 /nfs/dbraw/zinc/11/00/53/1316110053.db2.gz CJOXUBICOOJFDK-UXHICEINSA-N 1 3 336.520 2.933 20 30 EFEDHO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014117 1316110056 /nfs/dbraw/zinc/11/00/56/1316110056.db2.gz CJOXUBICOOJFDK-UXHICEINSA-N 1 3 336.520 2.933 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040211388 1316146149 /nfs/dbraw/zinc/14/61/49/1316146149.db2.gz ZIKKAJUYOASZNB-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040211388 1316146150 /nfs/dbraw/zinc/14/61/50/1316146150.db2.gz ZIKKAJUYOASZNB-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCOC(=O)N1CCC2(C[NH+](C3CCN(CCC)CC3)C2)CC1 ZINC001258771829 1316176535 /nfs/dbraw/zinc/17/65/35/1316176535.db2.gz WXMMSNCNPYGPHF-UHFFFAOYSA-N 1 3 335.492 2.581 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464712 1316280179 /nfs/dbraw/zinc/28/01/79/1316280179.db2.gz PFBQHLJZKVCRKI-NRFANRHFSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464712 1316280181 /nfs/dbraw/zinc/28/01/81/1316280181.db2.gz PFBQHLJZKVCRKI-NRFANRHFSA-N 1 3 347.547 2.999 20 30 EFEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487717 1316289624 /nfs/dbraw/zinc/28/96/24/1316289624.db2.gz GNAZEIRBSJSWAY-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487717 1316289626 /nfs/dbraw/zinc/28/96/26/1316289626.db2.gz GNAZEIRBSJSWAY-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001040875120 1316395018 /nfs/dbraw/zinc/39/50/18/1316395018.db2.gz RYIUCXSCEDQCEP-LJQANCHMSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040895356 1316399943 /nfs/dbraw/zinc/39/99/43/1316399943.db2.gz VQDKRMRFYGTLDP-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285693 1316502558 /nfs/dbraw/zinc/50/25/58/1316502558.db2.gz GJWIHWJHOSDIBH-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285693 1316502560 /nfs/dbraw/zinc/50/25/60/1316502560.db2.gz GJWIHWJHOSDIBH-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723419 1316665700 /nfs/dbraw/zinc/66/57/00/1316665700.db2.gz HYSSHXNWEMORQN-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723419 1316665702 /nfs/dbraw/zinc/66/57/02/1316665702.db2.gz HYSSHXNWEMORQN-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724339 1316666311 /nfs/dbraw/zinc/66/63/11/1316666311.db2.gz VJNLGOWJYBGRLI-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724339 1316666314 /nfs/dbraw/zinc/66/63/14/1316666314.db2.gz VJNLGOWJYBGRLI-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782186 1316696484 /nfs/dbraw/zinc/69/64/84/1316696484.db2.gz SMQFBSALZVWMRN-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782186 1316696486 /nfs/dbraw/zinc/69/64/86/1316696486.db2.gz SMQFBSALZVWMRN-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO N#Cc1ccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279145006 1317198260 /nfs/dbraw/zinc/19/82/60/1317198260.db2.gz FYXFHIOERPXETQ-UHFFFAOYSA-N 1 3 349.482 2.743 20 30 EFEDHO N#Cc1ccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc1 ZINC001279145006 1317198264 /nfs/dbraw/zinc/19/82/64/1317198264.db2.gz FYXFHIOERPXETQ-UHFFFAOYSA-N 1 3 349.482 2.743 20 30 EFEDHO C#Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)c1 ZINC001279302072 1317230139 /nfs/dbraw/zinc/23/01/39/1317230139.db2.gz VKEFTSZUUAWBBE-JOCHJYFZSA-N 1 3 348.494 2.853 20 30 EFEDHO C#Cc1cccc(C[N@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)c1 ZINC001279302072 1317230148 /nfs/dbraw/zinc/23/01/48/1317230148.db2.gz VKEFTSZUUAWBBE-JOCHJYFZSA-N 1 3 348.494 2.853 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001381259707 1348169115 /nfs/dbraw/zinc/16/91/15/1348169115.db2.gz UIMYFNJMPZLSME-NVXWUHKLSA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001381259707 1348169117 /nfs/dbraw/zinc/16/91/17/1348169117.db2.gz UIMYFNJMPZLSME-NVXWUHKLSA-N 1 3 341.927 2.640 20 30 EFEDHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134362 1330671973 /nfs/dbraw/zinc/67/19/73/1330671973.db2.gz JTXJOEGZYHUWGE-QGZVFWFLSA-N 1 3 328.460 2.597 20 30 EFEDHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134362 1330671981 /nfs/dbraw/zinc/67/19/81/1330671981.db2.gz JTXJOEGZYHUWGE-QGZVFWFLSA-N 1 3 328.460 2.597 20 30 EFEDHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134360 1330672094 /nfs/dbraw/zinc/67/20/94/1330672094.db2.gz JTXJOEGZYHUWGE-KRWDZBQOSA-N 1 3 328.460 2.597 20 30 EFEDHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329134360 1330672096 /nfs/dbraw/zinc/67/20/96/1330672096.db2.gz JTXJOEGZYHUWGE-KRWDZBQOSA-N 1 3 328.460 2.597 20 30 EFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC001335985999 1331424348 /nfs/dbraw/zinc/42/43/48/1331424348.db2.gz HYUDIZMDKMQSKV-QGZVFWFLSA-N 1 3 340.389 2.816 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001343560730 1332357900 /nfs/dbraw/zinc/35/79/00/1332357900.db2.gz OWNOTBZQKXKUMJ-IEBWSBKVSA-N 1 3 329.488 2.793 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001344584737 1332465022 /nfs/dbraw/zinc/46/50/22/1332465022.db2.gz VEJMRIJZNOSEPG-ZCNNSNEGSA-N 1 3 341.499 2.651 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001344584737 1332465025 /nfs/dbraw/zinc/46/50/25/1332465025.db2.gz VEJMRIJZNOSEPG-ZCNNSNEGSA-N 1 3 341.499 2.651 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001480304866 1333596883 /nfs/dbraw/zinc/59/68/83/1333596883.db2.gz NCJOBLXPIAPSIH-QGZVFWFLSA-N 1 3 349.906 2.943 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001100536371 1334235239 /nfs/dbraw/zinc/23/52/39/1334235239.db2.gz WQXJHYRLNVXWQE-UHFFFAOYSA-N 1 3 341.927 2.735 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001354474247 1334321281 /nfs/dbraw/zinc/32/12/81/1334321281.db2.gz HKWLQOIVFKRCEH-WDSOQIARSA-N 1 3 329.488 2.554 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001354474247 1334321287 /nfs/dbraw/zinc/32/12/87/1334321287.db2.gz HKWLQOIVFKRCEH-WDSOQIARSA-N 1 3 329.488 2.554 20 30 EFEDHO CC[C@@H](C#N)Oc1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848532803 1334779771 /nfs/dbraw/zinc/77/97/71/1334779771.db2.gz BAIUXLDWSDTTTO-MOPGFXCFSA-N 1 3 343.471 2.710 20 30 EFEDHO c1ccc(NC(=[NH+]C[C@@H]2CN3CCC[C@@H]3CO2)N2CCCCC2)cc1 ZINC000849073968 1335069687 /nfs/dbraw/zinc/06/96/87/1335069687.db2.gz SHJFOXQNDKZQCE-RTBURBONSA-N 1 3 342.487 2.804 20 30 EFEDHO C#Cc1cccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849117026 1335555282 /nfs/dbraw/zinc/55/52/82/1335555282.db2.gz QETXOMSXSRIILJ-UHFFFAOYSA-N 1 3 346.478 2.946 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001375174556 1342490345 /nfs/dbraw/zinc/49/03/45/1342490345.db2.gz FVFTYYPHCMTLML-JKSUJKDBSA-N 1 3 343.943 2.981 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001375292900 1342600330 /nfs/dbraw/zinc/60/03/30/1342600330.db2.gz YWADZBRALDQTGO-JKSUJKDBSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001380672836 1347804095 /nfs/dbraw/zinc/80/40/95/1347804095.db2.gz FCWJBKUCPQUTFQ-CRAIPNDOSA-N 1 3 349.906 2.941 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001381262902 1348171982 /nfs/dbraw/zinc/17/19/82/1348171982.db2.gz SRZAOSDTTVOCHQ-HNNXBMFYSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001381262902 1348171986 /nfs/dbraw/zinc/17/19/86/1348171986.db2.gz SRZAOSDTTVOCHQ-HNNXBMFYSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001381462208 1348291876 /nfs/dbraw/zinc/29/18/76/1348291876.db2.gz XNUNSKBABPRRLR-GPANFISMSA-N 1 3 329.916 2.684 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001381462209 1348291771 /nfs/dbraw/zinc/29/17/71/1348291771.db2.gz XNUNSKBABPRRLR-UYSNPLJNSA-N 1 3 329.916 2.684 20 30 EFEDHO C=C(Cl)CN[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001389695325 1353561394 /nfs/dbraw/zinc/56/13/94/1353561394.db2.gz RRGDEEKNUNZSMQ-QGZVFWFLSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390616229 1354211961 /nfs/dbraw/zinc/21/19/61/1354211961.db2.gz QAKNJFAFYRCXSX-LSDHHAIUSA-N 1 3 329.916 2.734 20 30 EFEDHO C=C(Cl)CN[C@@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001390683095 1354275889 /nfs/dbraw/zinc/27/58/89/1354275889.db2.gz BDTMHBFARFCKKI-HNNXBMFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667717 1387275338 /nfs/dbraw/zinc/27/53/38/1387275338.db2.gz MZQSQJLHIVTGTA-NVXWUHKLSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667724 1387275515 /nfs/dbraw/zinc/27/55/15/1387275515.db2.gz MZQSQJLHIVTGTA-WBVHZDCISA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197656 1355853828 /nfs/dbraw/zinc/85/38/28/1355853828.db2.gz RDRJTBUEJNQYHF-HOCLYGCPSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197656 1355853834 /nfs/dbraw/zinc/85/38/34/1355853834.db2.gz RDRJTBUEJNQYHF-HOCLYGCPSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001438430877 1388592492 /nfs/dbraw/zinc/59/24/92/1388592492.db2.gz DNXZFXARFTVJEE-KBXCAEBGSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045773 1379537724 /nfs/dbraw/zinc/53/77/24/1379537724.db2.gz FKGYVVARFZNNDU-DLBZAZTESA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)C(C)C ZINC001422660041 1380520917 /nfs/dbraw/zinc/52/09/17/1380520917.db2.gz DMUUWBGGGMSXMR-HNNXBMFYSA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001425963301 1383902589 /nfs/dbraw/zinc/90/25/89/1383902589.db2.gz VGJRCWVUHLPEKJ-GJZGRUSLSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001496885749 1401076763 /nfs/dbraw/zinc/07/67/63/1401076763.db2.gz DXNIKDOUKWHQHL-HZPDHXFCSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001567744151 1416268816 /nfs/dbraw/zinc/26/88/16/1416268816.db2.gz CXPVRVAETJYUGN-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001567744151 1416268817 /nfs/dbraw/zinc/26/88/17/1416268817.db2.gz CXPVRVAETJYUGN-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153826 712940565 /nfs/dbraw/zinc/94/05/65/712940565.db2.gz PZPGNVVFMYAGOC-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153826 712940567 /nfs/dbraw/zinc/94/05/67/712940567.db2.gz PZPGNVVFMYAGOC-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC(C)C)CC1 ZINC000969155979 712942337 /nfs/dbraw/zinc/94/23/37/712942337.db2.gz GKSQZWNRIBHDBL-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)C)CC1 ZINC000969155979 712942339 /nfs/dbraw/zinc/94/23/39/712942339.db2.gz GKSQZWNRIBHDBL-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132664 713468224 /nfs/dbraw/zinc/46/82/24/713468224.db2.gz AUQHMKWWYYZCAS-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132664 713468225 /nfs/dbraw/zinc/46/82/25/713468225.db2.gz AUQHMKWWYYZCAS-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669951 714271496 /nfs/dbraw/zinc/27/14/96/714271496.db2.gz IYUICCCBCOPWKE-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669951 714271498 /nfs/dbraw/zinc/27/14/98/714271498.db2.gz IYUICCCBCOPWKE-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669941 714271615 /nfs/dbraw/zinc/27/16/15/714271615.db2.gz IPXYXTSLJJMWIO-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669941 714271618 /nfs/dbraw/zinc/27/16/18/714271618.db2.gz IPXYXTSLJJMWIO-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022081788 714734896 /nfs/dbraw/zinc/73/48/96/714734896.db2.gz NKIAWNMOFNLLHD-HRCADAONSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022081788 714734899 /nfs/dbraw/zinc/73/48/99/714734899.db2.gz NKIAWNMOFNLLHD-HRCADAONSA-N 1 3 339.911 2.630 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978955550 716601400 /nfs/dbraw/zinc/60/14/00/716601400.db2.gz ZRLLVFFCAOONGR-OKYOBFRVSA-N 1 3 333.520 2.511 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978955550 716601401 /nfs/dbraw/zinc/60/14/01/716601401.db2.gz ZRLLVFFCAOONGR-OKYOBFRVSA-N 1 3 333.520 2.511 20 30 EFEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553257 716616987 /nfs/dbraw/zinc/61/69/87/716616987.db2.gz YKRYGWCDRFQAGX-AZUAARDMSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023553257 716616992 /nfs/dbraw/zinc/61/69/92/716616992.db2.gz YKRYGWCDRFQAGX-AZUAARDMSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761704 716974189 /nfs/dbraw/zinc/97/41/89/716974189.db2.gz HAYNVQAIAUTAID-SFHVURJKSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761704 716974191 /nfs/dbraw/zinc/97/41/91/716974191.db2.gz HAYNVQAIAUTAID-SFHVURJKSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763547 716976293 /nfs/dbraw/zinc/97/62/93/716976293.db2.gz RWEXPHNGFUMXIZ-QGZVFWFLSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763547 716976299 /nfs/dbraw/zinc/97/62/99/716976299.db2.gz RWEXPHNGFUMXIZ-QGZVFWFLSA-N 1 3 329.488 2.766 20 30 EFEDHO CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260581 718488207 /nfs/dbraw/zinc/48/82/07/718488207.db2.gz YNDCDUYOSJPVOX-OALUTQOASA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260711 718488638 /nfs/dbraw/zinc/48/86/38/718488638.db2.gz YWJBBGAZVWISGM-RTBURBONSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260711 718488639 /nfs/dbraw/zinc/48/86/39/718488639.db2.gz YWJBBGAZVWISGM-RTBURBONSA-N 1 3 345.531 2.730 20 30 EFEDHO C=C(C)CCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981330193 718631801 /nfs/dbraw/zinc/63/18/01/718631801.db2.gz ADBHDPIWSAAQIO-IBGZPJMESA-N 1 3 333.520 2.894 20 30 EFEDHO C=C(C)CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981330193 718631802 /nfs/dbraw/zinc/63/18/02/718631802.db2.gz ADBHDPIWSAAQIO-IBGZPJMESA-N 1 3 333.520 2.894 20 30 EFEDHO C=C(C)CCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981330196 718632054 /nfs/dbraw/zinc/63/20/54/718632054.db2.gz ADBHDPIWSAAQIO-LJQANCHMSA-N 1 3 333.520 2.894 20 30 EFEDHO C=C(C)CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981330196 718632057 /nfs/dbraw/zinc/63/20/57/718632057.db2.gz ADBHDPIWSAAQIO-LJQANCHMSA-N 1 3 333.520 2.894 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538713 718797741 /nfs/dbraw/zinc/79/77/41/718797741.db2.gz RQNSTHIJVQPUOC-MOPGFXCFSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472927 718958435 /nfs/dbraw/zinc/95/84/35/718958435.db2.gz WDNYYFVWTATIBD-GOEBONIOSA-N 1 3 346.862 2.917 20 30 EFEDHO C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472929 718958494 /nfs/dbraw/zinc/95/84/94/718958494.db2.gz WDNYYFVWTATIBD-ZBFHGGJFSA-N 1 3 346.862 2.917 20 30 EFEDHO C=CCCN1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981814616 719064047 /nfs/dbraw/zinc/06/40/47/719064047.db2.gz JXJMBWLUCKJRRL-LJQANCHMSA-N 1 3 333.520 2.894 20 30 EFEDHO C=CCCN1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981814616 719064053 /nfs/dbraw/zinc/06/40/53/719064053.db2.gz JXJMBWLUCKJRRL-LJQANCHMSA-N 1 3 333.520 2.894 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631341 719259303 /nfs/dbraw/zinc/25/93/03/719259303.db2.gz ZRYQZMIEAXOLBW-QUCCMNQESA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001025631341 719259305 /nfs/dbraw/zinc/25/93/05/719259305.db2.gz ZRYQZMIEAXOLBW-QUCCMNQESA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301533 719856755 /nfs/dbraw/zinc/85/67/55/719856755.db2.gz REMFFKBTEYCQEM-YSIASYRMSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301533 719856765 /nfs/dbraw/zinc/85/67/65/719856765.db2.gz REMFFKBTEYCQEM-YSIASYRMSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333386 720373135 /nfs/dbraw/zinc/37/31/35/720373135.db2.gz IVKNPVBHQICLRD-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333386 720373141 /nfs/dbraw/zinc/37/31/41/720373141.db2.gz IVKNPVBHQICLRD-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618301 720953488 /nfs/dbraw/zinc/95/34/88/720953488.db2.gz UPBPPOVFDDBZMM-SESVDKBCSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618301 720953493 /nfs/dbraw/zinc/95/34/93/720953493.db2.gz UPBPPOVFDDBZMM-SESVDKBCSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618729 720953790 /nfs/dbraw/zinc/95/37/90/720953790.db2.gz ZWYZFSAYXSMBDR-SESVDKBCSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618729 720953792 /nfs/dbraw/zinc/95/37/92/720953792.db2.gz ZWYZFSAYXSMBDR-SESVDKBCSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982624000 720959819 /nfs/dbraw/zinc/95/98/19/720959819.db2.gz NWODZZKVRNMYDJ-NRSPTQNISA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982624000 720959821 /nfs/dbraw/zinc/95/98/21/720959821.db2.gz NWODZZKVRNMYDJ-NRSPTQNISA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677645 721270825 /nfs/dbraw/zinc/27/08/25/721270825.db2.gz FTWUFXFRTGOPQD-MSOLQXFVSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677645 721270828 /nfs/dbraw/zinc/27/08/28/721270828.db2.gz FTWUFXFRTGOPQD-MSOLQXFVSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830848 721301530 /nfs/dbraw/zinc/30/15/30/721301530.db2.gz BCBFCAHOEVPXJB-TZRIAGMCSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830848 721301533 /nfs/dbraw/zinc/30/15/33/721301533.db2.gz BCBFCAHOEVPXJB-TZRIAGMCSA-N 1 3 333.520 2.606 20 30 EFEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCCC[C@H]1C ZINC000262025043 722728744 /nfs/dbraw/zinc/72/87/44/722728744.db2.gz ZFJXPDUCUXVMIJ-HUUCEWRRSA-N 1 3 346.475 2.837 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009007 725459873 /nfs/dbraw/zinc/45/98/73/725459873.db2.gz FIOLDUJAUATEAY-CMKODMSKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009007 725459877 /nfs/dbraw/zinc/45/98/77/725459877.db2.gz FIOLDUJAUATEAY-CMKODMSKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992694189 726115381 /nfs/dbraw/zinc/11/53/81/726115381.db2.gz RGPUSHSQQPQQGO-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057808 726181204 /nfs/dbraw/zinc/18/12/04/726181204.db2.gz ZGJUYXBXWHTDCH-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057808 726181207 /nfs/dbraw/zinc/18/12/07/726181207.db2.gz ZGJUYXBXWHTDCH-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992860598 726309932 /nfs/dbraw/zinc/30/99/32/726309932.db2.gz OANKJQYPWHEJLG-GBESFXJTSA-N 1 3 333.520 2.511 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992929053 726344793 /nfs/dbraw/zinc/34/47/93/726344793.db2.gz DPQVKIGZOHMYHB-YZGWKJHDSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993811549 727527847 /nfs/dbraw/zinc/52/78/47/727527847.db2.gz ZJYFEYZCGJRWDF-XLIONFOSSA-N 1 3 343.515 2.950 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993811554 727527954 /nfs/dbraw/zinc/52/79/54/727527954.db2.gz ZJYFEYZCGJRWDF-YLJYHZDGSA-N 1 3 343.515 2.950 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994454964 727758020 /nfs/dbraw/zinc/75/80/20/727758020.db2.gz AFJKUDAFDSUZMY-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994454964 727758022 /nfs/dbraw/zinc/75/80/22/727758022.db2.gz AFJKUDAFDSUZMY-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503550 727772891 /nfs/dbraw/zinc/77/28/91/727772891.db2.gz WDXWTPNCQIHFNE-MJGOQNOKSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503550 727772892 /nfs/dbraw/zinc/77/28/92/727772892.db2.gz WDXWTPNCQIHFNE-MJGOQNOKSA-N 1 3 347.547 2.737 20 30 EFEDHO COc1ccccc1CNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000170909621 728494296 /nfs/dbraw/zinc/49/42/96/728494296.db2.gz OQXNMELUQXLKGF-BEFAXECRSA-N 1 3 332.492 2.610 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829348 728530695 /nfs/dbraw/zinc/53/06/95/728530695.db2.gz LAAQCRIIUKUKBM-RBUKOAKNSA-N 1 3 333.520 2.586 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829348 728530696 /nfs/dbraw/zinc/53/06/96/728530696.db2.gz LAAQCRIIUKUKBM-RBUKOAKNSA-N 1 3 333.520 2.586 20 30 EFEDHO C=C(Cl)CN[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000939806958 729130044 /nfs/dbraw/zinc/13/00/44/729130044.db2.gz PWHFUZUAOVQTBH-DYVFJYSZSA-N 1 3 335.879 2.551 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000948069852 729466646 /nfs/dbraw/zinc/46/66/46/729466646.db2.gz LAZWPDRVPRSGJA-PKOBYXMFSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000948069852 729466648 /nfs/dbraw/zinc/46/66/48/729466648.db2.gz LAZWPDRVPRSGJA-PKOBYXMFSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000948069845 729467809 /nfs/dbraw/zinc/46/78/09/729467809.db2.gz LAZWPDRVPRSGJA-IEBWSBKVSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000948069845 729467811 /nfs/dbraw/zinc/46/78/11/729467811.db2.gz LAZWPDRVPRSGJA-IEBWSBKVSA-N 1 3 347.547 2.737 20 30 EFEDHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](N)CCCCC#N ZINC001579691840 1090662896 /nfs/dbraw/zinc/66/28/96/1090662896.db2.gz JHYKKRUOZQMBJT-KRWDZBQOSA-N 1 3 328.460 2.941 20 30 EFEDHO Cn1cc(CN2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961669 1090733311 /nfs/dbraw/zinc/73/33/11/1090733311.db2.gz PRMSDQGMKNGCCS-PZJWPPBQSA-N 1 3 349.482 2.910 20 30 EFEDHO Cn1cc(CN2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961670 1090733786 /nfs/dbraw/zinc/73/37/86/1090733786.db2.gz PRMSDQGMKNGCCS-TZIWHRDSSA-N 1 3 349.482 2.910 20 30 EFEDHO N#Cc1c(NC(=O)CCN[C@H](C[NH3+])C2CCCC2)sc2c1CCC2 ZINC001580057467 1090757405 /nfs/dbraw/zinc/75/74/05/1090757405.db2.gz WHIHXUWAMKKGFX-OAHLLOKOSA-N 1 3 346.500 2.544 20 30 EFEDHO CC1(C)CC(NCCC(=O)Nc2cccc(C#N)c2)CC(C)(C)[NH2+]1 ZINC001649840548 1092732541 /nfs/dbraw/zinc/73/25/41/1092732541.db2.gz FOSBQHBGIHJYBQ-UHFFFAOYSA-N 1 3 328.460 2.786 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454480 1093046548 /nfs/dbraw/zinc/04/65/48/1093046548.db2.gz VMFQAUZEEUSXJV-PKOBYXMFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454480 1093046555 /nfs/dbraw/zinc/04/65/55/1093046555.db2.gz VMFQAUZEEUSXJV-PKOBYXMFSA-N 1 3 335.536 2.853 20 30 EFEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454361 1093048975 /nfs/dbraw/zinc/04/89/75/1093048975.db2.gz RPNDMYBNUDDOMH-ICSRJNTNSA-N 1 3 347.547 2.547 20 30 EFEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454361 1093048983 /nfs/dbraw/zinc/04/89/83/1093048983.db2.gz RPNDMYBNUDDOMH-ICSRJNTNSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458490 1093231029 /nfs/dbraw/zinc/23/10/29/1093231029.db2.gz HNTLBNBBQHKGJO-QGZVFWFLSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458490 1093231043 /nfs/dbraw/zinc/23/10/43/1093231043.db2.gz HNTLBNBBQHKGJO-QGZVFWFLSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458489 1093231901 /nfs/dbraw/zinc/23/19/01/1093231901.db2.gz HNTLBNBBQHKGJO-KRWDZBQOSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458489 1093231909 /nfs/dbraw/zinc/23/19/09/1093231909.db2.gz HNTLBNBBQHKGJO-KRWDZBQOSA-N 1 3 344.503 2.869 20 30 EFEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458873 1093237722 /nfs/dbraw/zinc/23/77/22/1093237722.db2.gz RPNDMYBNUDDOMH-AZUAARDMSA-N 1 3 347.547 2.547 20 30 EFEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458873 1093237730 /nfs/dbraw/zinc/23/77/30/1093237730.db2.gz RPNDMYBNUDDOMH-AZUAARDMSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529769 1094754168 /nfs/dbraw/zinc/75/41/68/1094754168.db2.gz OMCLHRCERABJFP-BJLQDIEVSA-N 1 3 333.520 2.513 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957184 1095779282 /nfs/dbraw/zinc/77/92/82/1095779282.db2.gz FUPCEHXGWNXTFA-LJQANCHMSA-N 1 3 339.499 2.699 20 30 EFEDHO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957184 1095779293 /nfs/dbraw/zinc/77/92/93/1095779293.db2.gz FUPCEHXGWNXTFA-LJQANCHMSA-N 1 3 339.499 2.699 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732511 1096632561 /nfs/dbraw/zinc/63/25/61/1096632561.db2.gz LNPLQBMFBHANJS-VQTJNVASSA-N 1 3 343.515 2.877 20 30 EFEDHO C=C(Cl)CNC[C@@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001481949741 1096987890 /nfs/dbraw/zinc/98/78/90/1096987890.db2.gz AJYYRZMPCSMENN-LJQANCHMSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(NC(=O)CN(C)C2CCC2)CCCC[C@H]1C ZINC001481956639 1096994714 /nfs/dbraw/zinc/99/47/14/1096994714.db2.gz BAWCJTQLHPOMRT-RDTXWAMCSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105395592 1100555435 /nfs/dbraw/zinc/55/54/35/1100555435.db2.gz AQIDTHDUIDLPPD-HXUWFJFHSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105395592 1100555439 /nfs/dbraw/zinc/55/54/39/1100555439.db2.gz AQIDTHDUIDLPPD-HXUWFJFHSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840512 1100855923 /nfs/dbraw/zinc/85/59/23/1100855923.db2.gz AHRMKQBBSWVBBE-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840512 1100855931 /nfs/dbraw/zinc/85/59/31/1100855931.db2.gz AHRMKQBBSWVBBE-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C#CCOCCOCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031521 1100933799 /nfs/dbraw/zinc/93/37/99/1100933799.db2.gz ZPSYHDASXNKDRS-CEQLMSFQSA-N 1 3 344.499 2.684 20 30 EFEDHO C#CCOCCOCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031521 1100933806 /nfs/dbraw/zinc/93/38/06/1100933806.db2.gz ZPSYHDASXNKDRS-CEQLMSFQSA-N 1 3 344.499 2.684 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476824 1102230506 /nfs/dbraw/zinc/23/05/06/1102230506.db2.gz OVAVVPNPZMFUHL-MRXNPFEDSA-N 1 3 343.943 2.981 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482492777 1102267259 /nfs/dbraw/zinc/26/72/59/1102267259.db2.gz FHZCSWVKWDTURU-WMLDXEAASA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311850 1102841788 /nfs/dbraw/zinc/84/17/88/1102841788.db2.gz IKOXEJJUKFMQLD-IAGOWNOFSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311850 1102841807 /nfs/dbraw/zinc/84/18/07/1102841807.db2.gz IKOXEJJUKFMQLD-IAGOWNOFSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311849 1102842942 /nfs/dbraw/zinc/84/29/42/1102842942.db2.gz IKOXEJJUKFMQLD-DLBZAZTESA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311849 1102842957 /nfs/dbraw/zinc/84/29/57/1102842957.db2.gz IKOXEJJUKFMQLD-DLBZAZTESA-N 1 3 341.927 2.973 20 30 EFEDHO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294720 1102879761 /nfs/dbraw/zinc/87/97/61/1102879761.db2.gz YOWFBAQGCSWVNA-FGTMMUONSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088329902 1102942030 /nfs/dbraw/zinc/94/20/30/1102942030.db2.gz KAVHGDZSZVDRBG-IAGOWNOFSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329902 1102942037 /nfs/dbraw/zinc/94/20/37/1102942037.db2.gz KAVHGDZSZVDRBG-IAGOWNOFSA-N 1 3 341.927 2.974 20 30 EFEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001088430002 1103575208 /nfs/dbraw/zinc/57/52/08/1103575208.db2.gz FWVAOKYJOUJNIP-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001105427457 1103751830 /nfs/dbraw/zinc/75/18/30/1103751830.db2.gz MVTIDYBKFAZDSM-IRFCIJBXSA-N 1 3 343.515 2.565 20 30 EFEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001105438646 1104098787 /nfs/dbraw/zinc/09/87/87/1104098787.db2.gz MVTIDYBKFAZDSM-SBHAEUEKSA-N 1 3 343.515 2.565 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001168200935 1104476007 /nfs/dbraw/zinc/47/60/07/1104476007.db2.gz YMWAEYUOAAXTDU-UHFFFAOYSA-N 1 3 341.927 2.881 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622007 1105522865 /nfs/dbraw/zinc/52/28/65/1105522865.db2.gz CVAFWAWIBVXUGJ-NZSAHSFTSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1C ZINC001088622007 1105522871 /nfs/dbraw/zinc/52/28/71/1105522871.db2.gz CVAFWAWIBVXUGJ-NZSAHSFTSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105560878 1105938391 /nfs/dbraw/zinc/93/83/91/1105938391.db2.gz FBCQGSBESFYYSE-ZWKOTPCHSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC/C=C/CC)CC2)CC1 ZINC001168307905 1106522378 /nfs/dbraw/zinc/52/23/78/1106522378.db2.gz MDOSGHUEQOETIB-AATRIKPKSA-N 1 3 345.531 2.564 20 30 EFEDHO C=C(C)CC[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730004 1106602925 /nfs/dbraw/zinc/60/29/25/1106602925.db2.gz JKABRFYFRXGRLK-UHFFFAOYSA-N 1 3 329.488 2.862 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730004 1106602929 /nfs/dbraw/zinc/60/29/29/1106602929.db2.gz JKABRFYFRXGRLK-UHFFFAOYSA-N 1 3 329.488 2.862 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393365 1108316990 /nfs/dbraw/zinc/31/69/90/1108316990.db2.gz AZBRIISYRYXSPF-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393365 1108317006 /nfs/dbraw/zinc/31/70/06/1108317006.db2.gz AZBRIISYRYXSPF-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658868 1108624514 /nfs/dbraw/zinc/62/45/14/1108624514.db2.gz JXVQGXOIQVFJHE-SLYNCCJLSA-N 1 3 345.531 2.940 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658868 1108624519 /nfs/dbraw/zinc/62/45/19/1108624519.db2.gz JXVQGXOIQVFJHE-SLYNCCJLSA-N 1 3 345.531 2.940 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729171 1111770673 /nfs/dbraw/zinc/77/06/73/1111770673.db2.gz LCJRVVXCECGEHA-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386987 1112052049 /nfs/dbraw/zinc/05/20/49/1112052049.db2.gz WFLIMJPMHYGVTD-GOSISDBHSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386987 1112052054 /nfs/dbraw/zinc/05/20/54/1112052054.db2.gz WFLIMJPMHYGVTD-GOSISDBHSA-N 1 3 347.547 2.881 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486537 1112221357 /nfs/dbraw/zinc/22/13/57/1112221357.db2.gz ACGMLMTZSZQOCS-ROUUACIJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486537 1112221361 /nfs/dbraw/zinc/22/13/61/1112221361.db2.gz ACGMLMTZSZQOCS-ROUUACIJSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509889 1112259681 /nfs/dbraw/zinc/25/96/81/1112259681.db2.gz KHTIORLFDUYLLB-RTBURBONSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509889 1112259685 /nfs/dbraw/zinc/25/96/85/1112259685.db2.gz KHTIORLFDUYLLB-RTBURBONSA-N 1 3 347.547 2.881 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548760 1112294588 /nfs/dbraw/zinc/29/45/88/1112294588.db2.gz QDDLYRCQEDDLMJ-MRXNPFEDSA-N 1 3 332.492 2.834 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548760 1112294593 /nfs/dbraw/zinc/29/45/93/1112294593.db2.gz QDDLYRCQEDDLMJ-MRXNPFEDSA-N 1 3 332.492 2.834 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641782 1112434966 /nfs/dbraw/zinc/43/49/66/1112434966.db2.gz SPFVDUOZZFMXEF-ROUUACIJSA-N 1 3 333.520 2.511 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089663657 1112607467 /nfs/dbraw/zinc/60/74/67/1112607467.db2.gz RSHRIMYXFOBJEJ-OALUTQOASA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663657 1112607469 /nfs/dbraw/zinc/60/74/69/1112607469.db2.gz RSHRIMYXFOBJEJ-OALUTQOASA-N 1 3 347.547 2.737 20 30 EFEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089806631 1113060389 /nfs/dbraw/zinc/06/03/89/1113060389.db2.gz RIPNZEHWZDPTAV-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089806631 1113060394 /nfs/dbraw/zinc/06/03/94/1113060394.db2.gz RIPNZEHWZDPTAV-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484830221 1117748775 /nfs/dbraw/zinc/74/87/75/1117748775.db2.gz NXYXWXZUTYISNF-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484830221 1117748780 /nfs/dbraw/zinc/74/87/80/1117748780.db2.gz NXYXWXZUTYISNF-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO CN(C)C1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000083029802 1120739003 /nfs/dbraw/zinc/73/90/03/1120739003.db2.gz KMORETSJZRDNDN-MRXNPFEDSA-N 1 3 330.476 2.679 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000181418372 234178570 /nfs/dbraw/zinc/17/85/70/234178570.db2.gz RVKWCBUCMNJPTQ-UHFFFAOYSA-N 1 3 326.488 2.598 20 30 EFEDHO C[NH+]=C(NC[C@@H]1C[C@@H]1C)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000262448770 240353820 /nfs/dbraw/zinc/35/38/20/240353820.db2.gz VQZNNIPGQMRYAW-JKQORVJESA-N 1 3 334.533 2.952 20 30 EFEDHO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000185714774 239614185 /nfs/dbraw/zinc/61/41/85/239614185.db2.gz KVGRJVIMFYVWLP-LPHOPBHVSA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000192834318 240067429 /nfs/dbraw/zinc/06/74/29/240067429.db2.gz JRVKEQHTBPPKSC-MOPGFXCFSA-N 1 3 327.472 2.815 20 30 EFEDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OCCCC#N ZINC000237412587 240243382 /nfs/dbraw/zinc/24/33/82/240243382.db2.gz HFECVWQUSIXQOQ-KRWDZBQOSA-N 1 3 343.471 2.952 20 30 EFEDHO C[NH+]=C(NCC(F)F)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000246535694 240269708 /nfs/dbraw/zinc/26/97/08/240269708.db2.gz VCCPADNCVCVIHK-SMDDNHRTSA-N 1 3 330.448 2.561 20 30 EFEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCC[C@H](C)C1 ZINC000262018517 240341646 /nfs/dbraw/zinc/34/16/46/240341646.db2.gz WWFQOFWDPDGHRU-LSDHHAIUSA-N 1 3 346.475 2.695 20 30 EFEDHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000359877699 242171461 /nfs/dbraw/zinc/17/14/61/242171461.db2.gz QEYVKJDVGWAFJK-QGZVFWFLSA-N 1 3 336.524 2.581 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417059154 245000651 /nfs/dbraw/zinc/00/06/51/245000651.db2.gz HKXWSWCRADZBNQ-FGTMMUONSA-N 1 3 336.524 2.502 20 30 EFEDHO CN(C(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000170594105 258071277 /nfs/dbraw/zinc/07/12/77/258071277.db2.gz BNHRNPYBZNCOGB-UHFFFAOYSA-N 1 3 334.895 2.961 20 30 EFEDHO CC[NH+](CC)CCOC1CCN(CCOc2ccccc2C#N)CC1 ZINC000342099110 145062139 /nfs/dbraw/zinc/06/21/39/145062139.db2.gz PQOXBAOBRJACAU-UHFFFAOYSA-N 1 3 345.487 2.760 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(C#N)c(C)c1 ZINC000344148468 145379712 /nfs/dbraw/zinc/37/97/12/145379712.db2.gz QZXZEIXRZMZKRY-UHFFFAOYSA-N 1 3 328.504 2.716 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C#N)c(C)c1 ZINC000344148468 145379714 /nfs/dbraw/zinc/37/97/14/145379714.db2.gz QZXZEIXRZMZKRY-UHFFFAOYSA-N 1 3 328.504 2.716 20 30 EFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079195 146048956 /nfs/dbraw/zinc/04/89/56/146048956.db2.gz SFTWPPSGZGMKIT-HXUWFJFHSA-N 1 3 328.504 2.715 20 30 EFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079195 146048958 /nfs/dbraw/zinc/04/89/58/146048958.db2.gz SFTWPPSGZGMKIT-HXUWFJFHSA-N 1 3 328.504 2.715 20 30 EFEDHO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000373253591 151142058 /nfs/dbraw/zinc/14/20/58/151142058.db2.gz AYFXYHBHPZRIPS-GOSISDBHSA-N 1 3 340.515 2.969 20 30 EFEDHO COc1cc(C#N)ccc1OCCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172643 151295637 /nfs/dbraw/zinc/29/56/37/151295637.db2.gz GCKUSLCXQOGEOL-UHFFFAOYSA-N 1 3 343.471 2.753 20 30 EFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000281789940 266274164 /nfs/dbraw/zinc/27/41/64/266274164.db2.gz UIRVYOGGGSEFAJ-LPHOPBHVSA-N 1 3 345.487 2.793 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000264086203 276170426 /nfs/dbraw/zinc/17/04/26/276170426.db2.gz JIGREJNCGAPOCJ-GUDVDZBRSA-N 1 3 344.503 2.543 20 30 EFEDHO C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCC[C@@H](C)C1 ZINC000262492937 279240764 /nfs/dbraw/zinc/24/07/64/279240764.db2.gz JOMCELUAHARSOO-BFYDXBDKSA-N 1 3 330.476 2.535 20 30 EFEDHO CC[NH+]1CCN(c2ccccc2CN2CCC(C)(C#N)CC2)CC1 ZINC000356948375 279374949 /nfs/dbraw/zinc/37/49/49/279374949.db2.gz PQXKEWJLBBNHDY-UHFFFAOYSA-N 1 3 326.488 2.954 20 30 EFEDHO CCN1CCN(c2ccccc2C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000356948375 279374951 /nfs/dbraw/zinc/37/49/51/279374951.db2.gz PQXKEWJLBBNHDY-UHFFFAOYSA-N 1 3 326.488 2.954 20 30 EFEDHO C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCC(C)CC1 ZINC000083033995 473317362 /nfs/dbraw/zinc/31/73/62/473317362.db2.gz NSJRHBUANNMSID-DOTOQJQBSA-N 1 3 330.476 2.535 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000073640451 472844559 /nfs/dbraw/zinc/84/45/59/472844559.db2.gz JJPYTDYKAHWSFE-IBGZPJMESA-N 1 3 335.536 2.922 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000073895218 472895091 /nfs/dbraw/zinc/89/50/91/472895091.db2.gz CVGSFDUIIAVMLO-HXUWFJFHSA-N 1 3 346.515 2.959 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000073895218 472895093 /nfs/dbraw/zinc/89/50/93/472895093.db2.gz CVGSFDUIIAVMLO-HXUWFJFHSA-N 1 3 346.515 2.959 20 30 EFEDHO CCc1cccc(NC(=[NH2+])NCc2ccnc(OCCN(C)C)c2)c1 ZINC000134551170 472927818 /nfs/dbraw/zinc/92/78/18/472927818.db2.gz FPRWRWXATCJAHG-UHFFFAOYSA-N 1 3 341.459 2.511 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000074130178 472948328 /nfs/dbraw/zinc/94/83/28/472948328.db2.gz YYFARBCPUSLQMP-SFHVURJKSA-N 1 3 336.524 2.543 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074130178 472948336 /nfs/dbraw/zinc/94/83/36/472948336.db2.gz YYFARBCPUSLQMP-SFHVURJKSA-N 1 3 336.524 2.543 20 30 EFEDHO C[N@@H+]1CCCC[C@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000075110471 473127390 /nfs/dbraw/zinc/12/73/90/473127390.db2.gz CZFKXKNYKGXECZ-NRFANRHFSA-N 1 3 340.515 2.940 20 30 EFEDHO C[N@H+]1CCCC[C@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000075110471 473127396 /nfs/dbraw/zinc/12/73/96/473127396.db2.gz CZFKXKNYKGXECZ-NRFANRHFSA-N 1 3 340.515 2.940 20 30 EFEDHO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185697060 473491588 /nfs/dbraw/zinc/49/15/88/473491588.db2.gz PHYRUFBBZAGJCJ-ZTNFWEORSA-N 1 3 327.472 2.834 20 30 EFEDHO C#CCOc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000172116523 473527250 /nfs/dbraw/zinc/52/72/50/473527250.db2.gz LCGFZCZYAZKKTF-ROUUACIJSA-N 1 3 330.472 2.678 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954871 473557526 /nfs/dbraw/zinc/55/75/26/473557526.db2.gz DLWKNWGDWDHRDG-CABCVRRESA-N 1 3 342.409 2.721 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000172584507 473649131 /nfs/dbraw/zinc/64/91/31/473649131.db2.gz GXYSMQBMJWVINQ-UHFFFAOYSA-N 1 3 348.535 2.687 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172584507 473649133 /nfs/dbraw/zinc/64/91/33/473649133.db2.gz GXYSMQBMJWVINQ-UHFFFAOYSA-N 1 3 348.535 2.687 20 30 EFEDHO [NH2+]=C(NCC1CCN(c2ccncc2)CC1)NC1CCCCCC1 ZINC000179738677 473715193 /nfs/dbraw/zinc/71/51/93/473715193.db2.gz IZLIJLDHLBOJID-UHFFFAOYSA-N 1 3 329.492 2.925 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681251 473731904 /nfs/dbraw/zinc/73/19/04/473731904.db2.gz LRJLLXUQDPAKLZ-QFBILLFUSA-N 1 3 344.503 2.627 20 30 EFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180280542 473845245 /nfs/dbraw/zinc/84/52/45/473845245.db2.gz AYJIUBMWQKMDNR-RTBURBONSA-N 1 3 337.471 2.921 20 30 EFEDHO C=CCCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000180698739 473944648 /nfs/dbraw/zinc/94/46/48/473944648.db2.gz VNOSROSDQLHSNX-MRXNPFEDSA-N 1 3 336.524 2.589 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCc2cccc(CN(C)C)c2)cc1OC ZINC000264083991 473948638 /nfs/dbraw/zinc/94/86/38/473948638.db2.gz IIXUMTOTKRAZHQ-UHFFFAOYSA-N 1 3 342.443 2.692 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000181720297 474058914 /nfs/dbraw/zinc/05/89/14/474058914.db2.gz QKTUSOQMSUTLRS-QGZVFWFLSA-N 1 3 336.524 2.591 20 30 EFEDHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774198 474062337 /nfs/dbraw/zinc/06/23/37/474062337.db2.gz SQSHEYOAEUOYIN-IRXDYDNUSA-N 1 3 343.471 2.740 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622875 474219216 /nfs/dbraw/zinc/21/92/16/474219216.db2.gz VAHXIDVIFXXFSR-IRXDYDNUSA-N 1 3 348.535 2.589 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622875 474219220 /nfs/dbraw/zinc/21/92/20/474219220.db2.gz VAHXIDVIFXXFSR-IRXDYDNUSA-N 1 3 348.535 2.589 20 30 EFEDHO C=CCOc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289422043 474264301 /nfs/dbraw/zinc/26/43/01/474264301.db2.gz JICDNLQWJWIBPU-UHFFFAOYSA-N 1 3 343.515 2.711 20 30 EFEDHO C=CCCN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000276500107 474565463 /nfs/dbraw/zinc/56/54/63/474565463.db2.gz WCWQASHCCOXLCS-QGZVFWFLSA-N 1 3 329.488 2.664 20 30 EFEDHO CN1CCC(Oc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000284092972 474569439 /nfs/dbraw/zinc/56/94/39/474569439.db2.gz RRDORGSRORWINA-UHFFFAOYSA-N 1 3 330.476 2.507 20 30 EFEDHO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)CN(C)C ZINC000291707685 474654755 /nfs/dbraw/zinc/65/47/55/474654755.db2.gz LAJPDZFRHSSJRH-MRXNPFEDSA-N 1 3 325.460 2.751 20 30 EFEDHO C=CCN1CC[C@@H](N2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1=O ZINC000337180731 474761368 /nfs/dbraw/zinc/76/13/68/474761368.db2.gz MBFOMROUSWLFPJ-LJQANCHMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCN1CC[C@@H](N2CCC(CC[N@H+](CC)CC(C)C)CC2)C1=O ZINC000337180731 474761373 /nfs/dbraw/zinc/76/13/73/474761373.db2.gz MBFOMROUSWLFPJ-LJQANCHMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCN1CC[C@H](N2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1=O ZINC000337180730 474761583 /nfs/dbraw/zinc/76/15/83/474761583.db2.gz MBFOMROUSWLFPJ-IBGZPJMESA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCN1CC[C@H](N2CCC(CC[N@H+](CC)CC(C)C)CC2)C1=O ZINC000337180730 474761592 /nfs/dbraw/zinc/76/15/92/474761592.db2.gz MBFOMROUSWLFPJ-IBGZPJMESA-N 1 3 335.536 2.853 20 30 EFEDHO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279461736 474976221 /nfs/dbraw/zinc/97/62/21/474976221.db2.gz GTSMOXLEVLHLNK-LPHOPBHVSA-N 1 3 340.471 2.867 20 30 EFEDHO CC(C)(C)[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279665645 474986011 /nfs/dbraw/zinc/98/60/11/474986011.db2.gz ZENHWLDTSJEJOB-KRWDZBQOSA-N 1 3 338.455 2.620 20 30 EFEDHO CC(C)[NH+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280336655 475019686 /nfs/dbraw/zinc/01/96/86/475019686.db2.gz JOSZQOPOQORRKD-IBGZPJMESA-N 1 3 340.471 2.866 20 30 EFEDHO CCCC[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280897348 475056725 /nfs/dbraw/zinc/05/67/25/475056725.db2.gz MQOYEOJWNLGPEK-GOSISDBHSA-N 1 3 338.455 2.621 20 30 EFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000268969400 475103957 /nfs/dbraw/zinc/10/39/57/475103957.db2.gz MMJPKGUHHHBBKB-LEWJYISDSA-N 1 3 342.483 2.556 20 30 EFEDHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346117458 475561214 /nfs/dbraw/zinc/56/12/14/475561214.db2.gz KGPTUPMBXYOCTQ-NZSAHSFTSA-N 1 3 325.456 2.844 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000346306436 475582148 /nfs/dbraw/zinc/58/21/48/475582148.db2.gz NDQOEPWBJUITRD-RTBURBONSA-N 1 3 325.456 2.846 20 30 EFEDHO CC(C)[NH+](CCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000348394007 475638519 /nfs/dbraw/zinc/63/85/19/475638519.db2.gz BYDZKLHVKKNEJF-LJQANCHMSA-N 1 3 340.471 2.818 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000369581471 476426868 /nfs/dbraw/zinc/42/68/68/476426868.db2.gz CKTUSEMUSJQOFS-RBUKOAKNSA-N 1 3 348.535 2.565 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000369581471 476426875 /nfs/dbraw/zinc/42/68/75/476426875.db2.gz CKTUSEMUSJQOFS-RBUKOAKNSA-N 1 3 348.535 2.565 20 30 EFEDHO C=CCOc1ccccc1CN[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422913591 476843433 /nfs/dbraw/zinc/84/34/33/476843433.db2.gz QJADZIQBMIQTJL-MRXNPFEDSA-N 1 3 346.471 2.662 20 30 EFEDHO C=CCOc1ccccc1CN[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422913590 476843773 /nfs/dbraw/zinc/84/37/73/476843773.db2.gz QJADZIQBMIQTJL-INIZCTEOSA-N 1 3 346.471 2.662 20 30 EFEDHO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCCN1 ZINC000422980542 476877325 /nfs/dbraw/zinc/87/73/25/476877325.db2.gz QFSDDDAHFFNKJX-LESCRADOSA-N 1 3 330.451 2.786 20 30 EFEDHO N#Cc1ccccc1CSCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422986954 476879886 /nfs/dbraw/zinc/87/98/86/476879886.db2.gz HPVCYVQVVHDLLC-GUDVDZBRSA-N 1 3 345.512 2.538 20 30 EFEDHO N#Cc1ccccc1CSCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422986952 476880040 /nfs/dbraw/zinc/88/00/40/476880040.db2.gz HPVCYVQVVHDLLC-CEXWTWQISA-N 1 3 345.512 2.538 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415135531 476909558 /nfs/dbraw/zinc/90/95/58/476909558.db2.gz WTFYABDNYCHJMC-UXHICEINSA-N 1 3 330.472 2.970 20 30 EFEDHO C=CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708523 476944628 /nfs/dbraw/zinc/94/46/28/476944628.db2.gz QBGPLKUDJBJPFD-GHTZIAJQSA-N 1 3 343.515 2.709 20 30 EFEDHO C=CCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708523 476944637 /nfs/dbraw/zinc/94/46/37/476944637.db2.gz QBGPLKUDJBJPFD-GHTZIAJQSA-N 1 3 343.515 2.709 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430968158 476954085 /nfs/dbraw/zinc/95/40/85/476954085.db2.gz XGFHPGFGOXXVIF-HUUCEWRRSA-N 1 3 335.517 2.710 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424132551 477302231 /nfs/dbraw/zinc/30/22/31/477302231.db2.gz KWPJQZXEXQVTIW-VQIMIIECSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424132551 477302236 /nfs/dbraw/zinc/30/22/36/477302236.db2.gz KWPJQZXEXQVTIW-VQIMIIECSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424138767 477305122 /nfs/dbraw/zinc/30/51/22/477305122.db2.gz UVHDVZLVZLPXIN-QFBILLFUSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424138767 477305133 /nfs/dbraw/zinc/30/51/33/477305133.db2.gz UVHDVZLVZLPXIN-QFBILLFUSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424139350 477305419 /nfs/dbraw/zinc/30/54/19/477305419.db2.gz VDJBNPCBCDIDRQ-APWZRJJASA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424139350 477305426 /nfs/dbraw/zinc/30/54/26/477305426.db2.gz VDJBNPCBCDIDRQ-APWZRJJASA-N 1 3 342.487 2.556 20 30 EFEDHO CC1CC[NH+](Cc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)CC1 ZINC000424141233 477305922 /nfs/dbraw/zinc/30/59/22/477305922.db2.gz WYHLYAODIHKQQL-GOSISDBHSA-N 1 3 328.460 2.878 20 30 EFEDHO N#CCCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000424157594 477311715 /nfs/dbraw/zinc/31/17/15/477311715.db2.gz QAFKQVRHBWEUSC-IBGZPJMESA-N 1 3 342.487 2.700 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160157 477313608 /nfs/dbraw/zinc/31/36/08/477313608.db2.gz TUUPYKDMLMGCTQ-YTQUADARSA-N 1 3 342.487 2.692 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160157 477313613 /nfs/dbraw/zinc/31/36/13/477313613.db2.gz TUUPYKDMLMGCTQ-YTQUADARSA-N 1 3 342.487 2.692 20 30 EFEDHO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)CC1 ZINC000424165537 477314418 /nfs/dbraw/zinc/31/44/18/477314418.db2.gz DWEMBWIOTKTFSX-IBGZPJMESA-N 1 3 342.487 2.921 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449083416 477429582 /nfs/dbraw/zinc/42/95/82/477429582.db2.gz UBJIEKNDMKUCLY-UHFFFAOYSA-N 1 3 340.515 2.996 20 30 EFEDHO CC1(C#N)CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000449109465 477444112 /nfs/dbraw/zinc/44/41/12/477444112.db2.gz WZEBBJFKQOFMEQ-UHFFFAOYSA-N 1 3 341.503 2.656 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000417545055 477456202 /nfs/dbraw/zinc/45/62/02/477456202.db2.gz WVFAQFDLEYFZKV-UHFFFAOYSA-N 1 3 344.503 2.588 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417541917 477456348 /nfs/dbraw/zinc/45/63/48/477456348.db2.gz SETMTZWAJMLLOL-IBGZPJMESA-N 1 3 344.503 2.806 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417539748 477456448 /nfs/dbraw/zinc/45/64/48/477456448.db2.gz ONAHZBXMPIGXIL-MJGOQNOKSA-N 1 3 348.535 2.591 20 30 EFEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821060 477887651 /nfs/dbraw/zinc/88/76/51/477887651.db2.gz RDJDSSXRWSQCBM-CRAIPNDOSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821060 477887665 /nfs/dbraw/zinc/88/76/65/477887665.db2.gz RDJDSSXRWSQCBM-CRAIPNDOSA-N 1 3 328.460 2.691 20 30 EFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000421373715 478062430 /nfs/dbraw/zinc/06/24/30/478062430.db2.gz MWWQGGDZPMBFMQ-UHFFFAOYSA-N 1 3 332.517 2.612 20 30 EFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000421373715 478062437 /nfs/dbraw/zinc/06/24/37/478062437.db2.gz MWWQGGDZPMBFMQ-UHFFFAOYSA-N 1 3 332.517 2.612 20 30 EFEDHO CCOC(=O)C1([C@@H](C)NCc2ccc(C#N)c(Cl)c2)CC[NH2+]CC1 ZINC000591573347 478583502 /nfs/dbraw/zinc/58/35/02/478583502.db2.gz PJSFTDQHYJCNPN-CYBMUJFWSA-N 1 3 349.862 2.623 20 30 EFEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595904 478918964 /nfs/dbraw/zinc/91/89/64/478918964.db2.gz PFWWEYDPKDYUKD-OALUTQOASA-N 1 3 329.488 2.741 20 30 EFEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595904 478918970 /nfs/dbraw/zinc/91/89/70/478918970.db2.gz PFWWEYDPKDYUKD-OALUTQOASA-N 1 3 329.488 2.741 20 30 EFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)C(C)C ZINC000567776316 479114517 /nfs/dbraw/zinc/11/45/17/479114517.db2.gz WZNWWWOZZIBQDE-WOJBJXKFSA-N 1 3 341.499 2.688 20 30 EFEDHO C[C@H](C[C@@H]1CCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322628 479295286 /nfs/dbraw/zinc/29/52/86/479295286.db2.gz OGRMXBDVQJRVPD-UZLBHIALSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322625 479295453 /nfs/dbraw/zinc/29/54/53/479295453.db2.gz OGRMXBDVQJRVPD-JXFKEZNVSA-N 1 3 326.488 2.643 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000593324708 479296152 /nfs/dbraw/zinc/29/61/52/479296152.db2.gz YSIKPKZGYVTGPF-VQTJNVASSA-N 1 3 326.488 2.772 20 30 EFEDHO N#Cc1cccc(CN2CCC(N[C@@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000593324708 479296158 /nfs/dbraw/zinc/29/61/58/479296158.db2.gz YSIKPKZGYVTGPF-VQTJNVASSA-N 1 3 326.488 2.772 20 30 EFEDHO C[C@@H](CCC#N)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000602468161 479349198 /nfs/dbraw/zinc/34/91/98/479349198.db2.gz JSLQRVOHABFUQS-SFHVURJKSA-N 1 3 344.503 2.689 20 30 EFEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592006 479413357 /nfs/dbraw/zinc/41/33/57/479413357.db2.gz GHVJVJZOZSNXFI-OALUTQOASA-N 1 3 342.487 2.569 20 30 EFEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592006 479413365 /nfs/dbraw/zinc/41/33/65/479413365.db2.gz GHVJVJZOZSNXFI-OALUTQOASA-N 1 3 342.487 2.569 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000578979470 479642906 /nfs/dbraw/zinc/64/29/06/479642906.db2.gz GRIKLGSNCBWCNL-HXUWFJFHSA-N 1 3 346.515 2.865 20 30 EFEDHO C=CC[C@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000617779194 480361286 /nfs/dbraw/zinc/36/12/86/480361286.db2.gz WZRRKHFHTCFVIL-SFHVURJKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000644532014 480421902 /nfs/dbraw/zinc/42/19/02/480421902.db2.gz QQYJHAPOZKBXSZ-UYAOXDASSA-N 1 3 346.515 2.865 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)C(C)C ZINC000667732715 481770450 /nfs/dbraw/zinc/77/04/50/481770450.db2.gz QAVGMFOWMZQUCX-SFHVURJKSA-N 1 3 330.476 2.965 20 30 EFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c(s1)CCNC2)C(C)C ZINC000662380682 481771923 /nfs/dbraw/zinc/77/19/23/481771923.db2.gz NYKLAUSMIBOKEI-MRXNPFEDSA-N 1 3 347.528 2.822 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660598397 482042246 /nfs/dbraw/zinc/04/22/46/482042246.db2.gz YCAHNTQBMFJWSR-GOSISDBHSA-N 1 3 348.535 2.733 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660598397 482042251 /nfs/dbraw/zinc/04/22/51/482042251.db2.gz YCAHNTQBMFJWSR-GOSISDBHSA-N 1 3 348.535 2.733 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000660598398 482042336 /nfs/dbraw/zinc/04/23/36/482042336.db2.gz YCAHNTQBMFJWSR-SFHVURJKSA-N 1 3 348.535 2.733 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660598398 482042344 /nfs/dbraw/zinc/04/23/44/482042344.db2.gz YCAHNTQBMFJWSR-SFHVURJKSA-N 1 3 348.535 2.733 20 30 EFEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177531584 526430445 /nfs/dbraw/zinc/43/04/45/526430445.db2.gz VWEYFEZBRYKUPO-UHFFFAOYSA-N 1 3 348.535 2.733 20 30 EFEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000171711672 526431993 /nfs/dbraw/zinc/43/19/93/526431993.db2.gz XRNUPYORIYTMPI-UHFFFAOYSA-N 1 3 336.524 2.591 20 30 EFEDHO C=CCN1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000171711672 526432001 /nfs/dbraw/zinc/43/20/01/526432001.db2.gz XRNUPYORIYTMPI-UHFFFAOYSA-N 1 3 336.524 2.591 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1oc2ccc(F)cc2c1C ZINC000262005389 535550101 /nfs/dbraw/zinc/55/01/01/535550101.db2.gz REPBEHODDBLLIY-CQSZACIVSA-N 1 3 332.423 2.769 20 30 EFEDHO N#Cc1ccc([C@@H](O)CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000763232234 576368531 /nfs/dbraw/zinc/36/85/31/576368531.db2.gz SHPWIVMLNXIRCX-NRFANRHFSA-N 1 3 335.451 2.630 20 30 EFEDHO N#Cc1ccc([C@@H](O)CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000763232234 576368533 /nfs/dbraw/zinc/36/85/33/576368533.db2.gz SHPWIVMLNXIRCX-NRFANRHFSA-N 1 3 335.451 2.630 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(=C)C)CC1 ZINC001089735537 1252341263 /nfs/dbraw/zinc/34/12/63/1252341263.db2.gz MZRSDPUIGKNIAX-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(=C)C)CC1 ZINC001089735537 1252341268 /nfs/dbraw/zinc/34/12/68/1252341268.db2.gz MZRSDPUIGKNIAX-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098819621 1255723558 /nfs/dbraw/zinc/72/35/58/1255723558.db2.gz BSZOHPWOEUJPPW-ICSRJNTNSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439303 1255823053 /nfs/dbraw/zinc/82/30/53/1255823053.db2.gz VGVCXSWOYGGREP-QWFCFKBJSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439303 1255823064 /nfs/dbraw/zinc/82/30/64/1255823064.db2.gz VGVCXSWOYGGREP-QWFCFKBJSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567566 1256157594 /nfs/dbraw/zinc/15/75/94/1256157594.db2.gz ZHXJMQNJIFBICJ-QWFCFKBJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567566 1256157597 /nfs/dbraw/zinc/15/75/97/1256157597.db2.gz ZHXJMQNJIFBICJ-QWFCFKBJSA-N 1 3 333.520 2.798 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581720 1256198715 /nfs/dbraw/zinc/19/87/15/1256198715.db2.gz KCMUGZYHIQSMSB-TZIWHRDSSA-N 1 3 347.547 2.883 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581720 1256198720 /nfs/dbraw/zinc/19/87/20/1256198720.db2.gz KCMUGZYHIQSMSB-TZIWHRDSSA-N 1 3 347.547 2.883 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997136439 1257037985 /nfs/dbraw/zinc/03/79/85/1257037985.db2.gz GBISEKDWFIBWHF-XLIONFOSSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997136439 1257037995 /nfs/dbraw/zinc/03/79/95/1257037995.db2.gz GBISEKDWFIBWHF-XLIONFOSSA-N 1 3 345.531 2.633 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997360714 1257436990 /nfs/dbraw/zinc/43/69/90/1257436990.db2.gz QYDQYRMYNJDPHU-UHFFFAOYSA-N 1 3 335.879 2.695 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997790837 1258417335 /nfs/dbraw/zinc/41/73/35/1258417335.db2.gz JCPDPUKLOKJXNH-KRWDZBQOSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC000997829568 1258503441 /nfs/dbraw/zinc/50/34/41/1258503441.db2.gz QWKJZHCKTIDRFS-ICSRJNTNSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005802 1258935681 /nfs/dbraw/zinc/93/56/81/1258935681.db2.gz RRDVMSRUJDLPTE-MOPGFXCFSA-N 1 3 333.520 2.586 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005802 1258935695 /nfs/dbraw/zinc/93/56/95/1258935695.db2.gz RRDVMSRUJDLPTE-MOPGFXCFSA-N 1 3 333.520 2.586 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102199 1259113306 /nfs/dbraw/zinc/11/33/06/1259113306.db2.gz LHSDOIAUTDRSQJ-VQTJNVASSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102199 1259113310 /nfs/dbraw/zinc/11/33/10/1259113310.db2.gz LHSDOIAUTDRSQJ-VQTJNVASSA-N 1 3 347.547 2.835 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902378 1261662477 /nfs/dbraw/zinc/66/24/77/1261662477.db2.gz MWKZKGZRLKUQOM-ZCNNSNEGSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902378 1261662483 /nfs/dbraw/zinc/66/24/83/1261662483.db2.gz MWKZKGZRLKUQOM-ZCNNSNEGSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699978 1262178307 /nfs/dbraw/zinc/17/83/07/1262178307.db2.gz DYMMZHVVAIJOQH-CABCVRRESA-N 1 3 339.911 2.630 20 30 EFEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819064 1262362217 /nfs/dbraw/zinc/36/22/17/1262362217.db2.gz IDHZTMXBJKVNEL-ZWKOTPCHSA-N 1 3 327.472 2.565 20 30 EFEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078820655 1262365301 /nfs/dbraw/zinc/36/53/01/1262365301.db2.gz YLMQPGMKNOCQEF-QZTJIDSGSA-N 1 3 327.472 2.565 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603746 1264068803 /nfs/dbraw/zinc/06/88/03/1264068803.db2.gz JIWZUVMLEUGTSX-MISYRCLQSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603746 1264068810 /nfs/dbraw/zinc/06/88/10/1264068810.db2.gz JIWZUVMLEUGTSX-MISYRCLQSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853536 1264540486 /nfs/dbraw/zinc/54/04/86/1264540486.db2.gz XVHKASOLCZERMY-VAMGGRTRSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853536 1264540490 /nfs/dbraw/zinc/54/04/90/1264540490.db2.gz XVHKASOLCZERMY-VAMGGRTRSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004370031 1266789038 /nfs/dbraw/zinc/78/90/38/1266789038.db2.gz HBDPCOOAKJBZNQ-DLBZAZTESA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004370031 1266789045 /nfs/dbraw/zinc/78/90/45/1266789045.db2.gz HBDPCOOAKJBZNQ-DLBZAZTESA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224510 1266859853 /nfs/dbraw/zinc/85/98/53/1266859853.db2.gz ISVWWMBNEONTPR-GVDBMIGSSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085224510 1266859868 /nfs/dbraw/zinc/85/98/68/1266859868.db2.gz ISVWWMBNEONTPR-GVDBMIGSSA-N 1 3 341.927 2.734 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004456277 1267084221 /nfs/dbraw/zinc/08/42/21/1267084221.db2.gz CVIANYSKJVBILL-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004456277 1267084226 /nfs/dbraw/zinc/08/42/26/1267084226.db2.gz CVIANYSKJVBILL-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456782 1267085838 /nfs/dbraw/zinc/08/58/38/1267085838.db2.gz HYTJPQKFMRFVAJ-RTBURBONSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456782 1267085849 /nfs/dbraw/zinc/08/58/49/1267085849.db2.gz HYTJPQKFMRFVAJ-RTBURBONSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004475943 1267127644 /nfs/dbraw/zinc/12/76/44/1267127644.db2.gz VTSVBUGDBOVGCR-MOPGFXCFSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004475943 1267127648 /nfs/dbraw/zinc/12/76/48/1267127648.db2.gz VTSVBUGDBOVGCR-MOPGFXCFSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004584858 1267340133 /nfs/dbraw/zinc/34/01/33/1267340133.db2.gz BGQKSYKFBSJRDY-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004584858 1267340144 /nfs/dbraw/zinc/34/01/44/1267340144.db2.gz BGQKSYKFBSJRDY-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917127 1269067705 /nfs/dbraw/zinc/06/77/05/1269067705.db2.gz QSUITPNDFQPJLC-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033989962 1270784034 /nfs/dbraw/zinc/78/40/34/1270784034.db2.gz RIJXRBIHDCQQCH-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045826 1270956808 /nfs/dbraw/zinc/95/68/08/1270956808.db2.gz NKEFDANPQZWQNL-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250428 1271426658 /nfs/dbraw/zinc/42/66/58/1271426658.db2.gz QHCVPMRUPHQETK-HKUYNNGSSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250428 1271426662 /nfs/dbraw/zinc/42/66/62/1271426662.db2.gz QHCVPMRUPHQETK-HKUYNNGSSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086506060 1271959040 /nfs/dbraw/zinc/95/90/40/1271959040.db2.gz GFWNWMIIFPUAJQ-JCNLHEQBSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536961 1272237326 /nfs/dbraw/zinc/23/73/26/1272237326.db2.gz IXSGSKOMVUAQAL-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536961 1272237331 /nfs/dbraw/zinc/23/73/31/1272237331.db2.gz IXSGSKOMVUAQAL-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034796566 1272990367 /nfs/dbraw/zinc/99/03/67/1272990367.db2.gz IYXZGTGMLXOLSS-VGWMRTNUSA-N 1 3 327.900 2.629 20 30 EFEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764027 1273466677 /nfs/dbraw/zinc/46/66/77/1273466677.db2.gz BSYRQCAKEIADOM-BZSNNMDCSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193567 1273814698 /nfs/dbraw/zinc/81/46/98/1273814698.db2.gz GQMBFAYQJIWTRX-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193567 1273814704 /nfs/dbraw/zinc/81/47/04/1273814704.db2.gz GQMBFAYQJIWTRX-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810154 1274539830 /nfs/dbraw/zinc/53/98/30/1274539830.db2.gz HVDIFFKFFGKDPW-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810154 1274539837 /nfs/dbraw/zinc/53/98/37/1274539837.db2.gz HVDIFFKFFGKDPW-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814988 1274549230 /nfs/dbraw/zinc/54/92/30/1274549230.db2.gz XCAVTEXRQGYIOY-ROUUACIJSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814988 1274549234 /nfs/dbraw/zinc/54/92/34/1274549234.db2.gz XCAVTEXRQGYIOY-ROUUACIJSA-N 1 3 331.504 2.504 20 30 EFEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837791 1274575134 /nfs/dbraw/zinc/57/51/34/1274575134.db2.gz MXLKIXLAJJEAKP-IBGZPJMESA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837791 1274575139 /nfs/dbraw/zinc/57/51/39/1274575139.db2.gz MXLKIXLAJJEAKP-IBGZPJMESA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035856894 1274605826 /nfs/dbraw/zinc/60/58/26/1274605826.db2.gz FEFUINQLKNHAMI-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCCCCC)C2 ZINC001112547516 1275112681 /nfs/dbraw/zinc/11/26/81/1275112681.db2.gz XIHKHSMQJZYXIF-ICSRJNTNSA-N 1 3 335.536 2.903 20 30 EFEDHO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112568106 1275221900 /nfs/dbraw/zinc/22/19/00/1275221900.db2.gz YENXBUGOWHHZRY-BJLQDIEVSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112585913 1275309711 /nfs/dbraw/zinc/30/97/11/1275309711.db2.gz YTRITQGVXSQFHW-BJLQDIEVSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001112585242 1275320916 /nfs/dbraw/zinc/32/09/16/1275320916.db2.gz KEBNLEJRKDQSDP-FPOVZHCZSA-N 1 3 341.499 2.766 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036304869 1275387594 /nfs/dbraw/zinc/38/75/94/1275387594.db2.gz RINWGCOXARFSHI-KBXCAEBGSA-N 1 3 349.906 2.941 20 30 EFEDHO CC[C@H](C#N)Oc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000817918639 1276377144 /nfs/dbraw/zinc/37/71/44/1276377144.db2.gz LUZNELBQFNRJDS-BRWVUGGUSA-N 1 3 331.460 2.983 20 30 EFEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262656 1280066971 /nfs/dbraw/zinc/06/69/71/1280066971.db2.gz IBVKFUJFRLDVHE-HCXYKTFWSA-N 1 3 335.536 2.876 20 30 EFEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262656 1280066979 /nfs/dbraw/zinc/06/69/79/1280066979.db2.gz IBVKFUJFRLDVHE-HCXYKTFWSA-N 1 3 335.536 2.876 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584824 1280940156 /nfs/dbraw/zinc/94/01/56/1280940156.db2.gz VFSJAAVGGVVYEN-QZTJIDSGSA-N 1 3 345.531 2.705 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C\CC)CC1 ZINC001146610196 1280950688 /nfs/dbraw/zinc/95/06/88/1280950688.db2.gz IPBUDOKPGKJICT-BTFXCVNISA-N 1 3 333.520 2.561 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C\CC)CC1 ZINC001146610199 1280951540 /nfs/dbraw/zinc/95/15/40/1280951540.db2.gz IPBUDOKPGKJICT-MZIIKBMYSA-N 1 3 333.520 2.561 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614628 1280952419 /nfs/dbraw/zinc/95/24/19/1280952419.db2.gz ZCMDHHYISXPTII-ROUUACIJSA-N 1 3 347.547 2.785 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749645 1281265321 /nfs/dbraw/zinc/26/53/21/1281265321.db2.gz ZUBAGBFWYVQGIR-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749645 1281265332 /nfs/dbraw/zinc/26/53/32/1281265332.db2.gz ZUBAGBFWYVQGIR-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO N#Cc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528309 1281358427 /nfs/dbraw/zinc/35/84/27/1281358427.db2.gz KXLQHWGIAWQGID-UHFFFAOYSA-N 1 3 345.450 2.863 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942109 1281971387 /nfs/dbraw/zinc/97/13/87/1281971387.db2.gz JBDXLBAVVYKYJG-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071244 1282369589 /nfs/dbraw/zinc/36/95/89/1282369589.db2.gz MUHGWXGJIWRZFX-ZVDOUQERSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071244 1282369594 /nfs/dbraw/zinc/36/95/94/1282369594.db2.gz MUHGWXGJIWRZFX-ZVDOUQERSA-N 1 3 347.547 2.997 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H](NC1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000810217435 1283045235 /nfs/dbraw/zinc/04/52/35/1283045235.db2.gz DJPTWJUPVZUFCA-AZUAARDMSA-N 1 3 325.456 2.779 20 30 EFEDHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001176022993 1287659258 /nfs/dbraw/zinc/65/92/58/1287659258.db2.gz FEEGELCVLICBMI-KRWDZBQOSA-N 1 3 344.503 2.665 20 30 EFEDHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001176022993 1287659264 /nfs/dbraw/zinc/65/92/64/1287659264.db2.gz FEEGELCVLICBMI-KRWDZBQOSA-N 1 3 344.503 2.665 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093369533 1283800762 /nfs/dbraw/zinc/80/07/62/1283800762.db2.gz BSZWWZQTPRIAFB-HXUWFJFHSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093369533 1283800770 /nfs/dbraw/zinc/80/07/70/1283800770.db2.gz BSZWWZQTPRIAFB-HXUWFJFHSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372596 1283811417 /nfs/dbraw/zinc/81/14/17/1283811417.db2.gz FQBGYIZHZIBYIL-OALUTQOASA-N 1 3 347.547 2.852 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372596 1283811425 /nfs/dbraw/zinc/81/14/25/1283811425.db2.gz FQBGYIZHZIBYIL-OALUTQOASA-N 1 3 347.547 2.852 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377052 1283829069 /nfs/dbraw/zinc/82/90/69/1283829069.db2.gz FQBGYIZHZIBYIL-RTBURBONSA-N 1 3 347.547 2.852 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377052 1283829078 /nfs/dbraw/zinc/82/90/78/1283829078.db2.gz FQBGYIZHZIBYIL-RTBURBONSA-N 1 3 347.547 2.852 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382605 1283852173 /nfs/dbraw/zinc/85/21/73/1283852173.db2.gz BHQCNHPJXMGNCS-FQEVSTJZSA-N 1 3 345.531 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382605 1283852183 /nfs/dbraw/zinc/85/21/83/1283852183.db2.gz BHQCNHPJXMGNCS-FQEVSTJZSA-N 1 3 345.531 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413415 1285036673 /nfs/dbraw/zinc/03/66/73/1285036673.db2.gz FLFRRELIUKDULN-NLWGTHIKSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413415 1285036684 /nfs/dbraw/zinc/03/66/84/1285036684.db2.gz FLFRRELIUKDULN-NLWGTHIKSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133336817 1285213623 /nfs/dbraw/zinc/21/36/23/1285213623.db2.gz GBULPOXNAVAJRL-LPHOPBHVSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902140 1285380123 /nfs/dbraw/zinc/38/01/23/1285380123.db2.gz FTIDTFXQGIFPEI-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902140 1285380125 /nfs/dbraw/zinc/38/01/25/1285380125.db2.gz FTIDTFXQGIFPEI-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001171509421 1285618442 /nfs/dbraw/zinc/61/84/42/1285618442.db2.gz PNADWIWKQZOTBQ-VQIMIIECSA-N 1 3 344.503 2.663 20 30 EFEDHO C[C@@H]1C[C@H](N2CCC3SC(=O)C=C3C2)C[N@@H+]1Cc1ccccc1 ZINC001171747807 1285760805 /nfs/dbraw/zinc/76/08/05/1285760805.db2.gz BNQKTJNHSQRUIQ-JLSDUUJJSA-N 1 3 328.481 2.924 20 30 EFEDHO C[C@@H]1C[C@H](N2CCC3SC(=O)C=C3C2)C[N@H+]1Cc1ccccc1 ZINC001171747807 1285760810 /nfs/dbraw/zinc/76/08/10/1285760810.db2.gz BNQKTJNHSQRUIQ-JLSDUUJJSA-N 1 3 328.481 2.924 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001165728397 1312671190 /nfs/dbraw/zinc/67/11/90/1312671190.db2.gz QRMVMVQSQJXSLX-JKSUJKDBSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165728397 1312671194 /nfs/dbraw/zinc/67/11/94/1312671194.db2.gz QRMVMVQSQJXSLX-JKSUJKDBSA-N 1 3 339.911 2.632 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC(=C)C)CC1 ZINC001176737666 1288088895 /nfs/dbraw/zinc/08/88/95/1288088895.db2.gz MJXWAWVIWCJBMY-SFHVURJKSA-N 1 3 333.520 2.562 20 30 EFEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739628 1288090003 /nfs/dbraw/zinc/09/00/03/1288090003.db2.gz XTDVQLWTPSLRHL-KRWDZBQOSA-N 1 3 329.488 2.650 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176754189 1288120428 /nfs/dbraw/zinc/12/04/28/1288120428.db2.gz SSAMROJRJKMLFB-QGZVFWFLSA-N 1 3 344.503 2.663 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001176926437 1288176376 /nfs/dbraw/zinc/17/63/76/1288176376.db2.gz MIKBXDKCVDHFHE-HXUWFJFHSA-N 1 3 341.499 2.579 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1C(C)C ZINC001177317426 1288385447 /nfs/dbraw/zinc/38/54/47/1288385447.db2.gz WIBYGQYINDCZHK-HXUWFJFHSA-N 1 3 347.547 2.881 20 30 EFEDHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001178816240 1288946165 /nfs/dbraw/zinc/94/61/65/1288946165.db2.gz YFZLKXQWCGSIEA-LJQANCHMSA-N 1 3 344.503 2.665 20 30 EFEDHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001180124415 1289427347 /nfs/dbraw/zinc/42/73/47/1289427347.db2.gz VMAYAVKHRMCURM-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441144 1289806941 /nfs/dbraw/zinc/80/69/41/1289806941.db2.gz MJDGMKAMSHHHHP-WSTZPKSXSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1C ZINC001182806888 1290256548 /nfs/dbraw/zinc/25/65/48/1290256548.db2.gz OBISXHDOTOIDKK-WSTZPKSXSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185749732 1290762348 /nfs/dbraw/zinc/76/23/48/1290762348.db2.gz DYFIBBJBERLMBS-DLBZAZTESA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793558 1312843249 /nfs/dbraw/zinc/84/32/49/1312843249.db2.gz UMJJWFMMKYKFTL-MRXNPFEDSA-N 1 3 341.927 2.737 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793558 1312843253 /nfs/dbraw/zinc/84/32/53/1312843253.db2.gz UMJJWFMMKYKFTL-MRXNPFEDSA-N 1 3 341.927 2.737 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000957602840 1291854068 /nfs/dbraw/zinc/85/40/68/1291854068.db2.gz HSUUFHQPPAAASY-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000957606021 1291859837 /nfs/dbraw/zinc/85/98/37/1291859837.db2.gz VUDAHVUEUDQGTO-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957613418 1291880056 /nfs/dbraw/zinc/88/00/56/1291880056.db2.gz YOBLPFREPUHCQN-UHFFFAOYSA-N 1 3 330.476 2.623 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)CC2)CC1 ZINC000957647503 1291959984 /nfs/dbraw/zinc/95/99/84/1291959984.db2.gz KMPSKLVYKGIJEJ-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479048 1312908631 /nfs/dbraw/zinc/90/86/31/1312908631.db2.gz XHONWSADRQKUNU-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479048 1312908635 /nfs/dbraw/zinc/90/86/35/1312908635.db2.gz XHONWSADRQKUNU-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428224 1312922198 /nfs/dbraw/zinc/92/21/98/1312922198.db2.gz XFEPWLAAQWWKMA-DLBZAZTESA-N 1 3 335.536 2.948 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428225 1312922401 /nfs/dbraw/zinc/92/24/01/1312922401.db2.gz XFEPWLAAQWWKMA-IAGOWNOFSA-N 1 3 335.536 2.948 20 30 EFEDHO C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507576 1312941383 /nfs/dbraw/zinc/94/13/83/1312941383.db2.gz SXUMLPMDHGBMNM-MSOLQXFVSA-N 1 3 333.520 2.539 20 30 EFEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203782303 1313013485 /nfs/dbraw/zinc/01/34/85/1313013485.db2.gz MZNKGZRGIOYUFH-HZPDHXFCSA-N 1 3 339.911 2.632 20 30 EFEDHO C=CCCC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203870126 1313037640 /nfs/dbraw/zinc/03/76/40/1313037640.db2.gz XXBWREALALCCMZ-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016922478 1313044209 /nfs/dbraw/zinc/04/42/09/1313044209.db2.gz DIKIUFWZQYWOCS-ROUUACIJSA-N 1 3 333.520 2.798 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000303722492 1294569090 /nfs/dbraw/zinc/56/90/90/1294569090.db2.gz YHOJAMIHSGFBRY-CQSZACIVSA-N 1 3 328.382 2.594 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1C(F)(F)F ZINC000303772009 1294578341 /nfs/dbraw/zinc/57/83/41/1294578341.db2.gz DGTGPOFELFTMBZ-CYBMUJFWSA-N 1 3 346.372 2.733 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccc(C)cc1 ZINC000303779880 1294579070 /nfs/dbraw/zinc/57/90/70/1294579070.db2.gz KXWFRUUDDPVUOW-KRWDZBQOSA-N 1 3 334.533 2.617 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCO[C@@H](C)c1ccccc1 ZINC000303775807 1294579711 /nfs/dbraw/zinc/57/97/11/1294579711.db2.gz HDOWHSPFYQFOPF-WMZOPIPTSA-N 1 3 332.492 2.543 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)N2CCCCC2)c1 ZINC000303789397 1294581706 /nfs/dbraw/zinc/58/17/06/1294581706.db2.gz VHNGNAFKUSLCAZ-UHFFFAOYSA-N 1 3 334.464 2.695 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC(C)C ZINC000303885112 1294598389 /nfs/dbraw/zinc/59/83/89/1294598389.db2.gz MZBHTBRPRCNSPA-QGZVFWFLSA-N 1 3 332.492 2.610 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1OC ZINC000303898711 1294599617 /nfs/dbraw/zinc/59/96/17/1294599617.db2.gz VQOYFMBXCIMDSS-AUUYWEPGSA-N 1 3 348.491 2.941 20 30 EFEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NCCN(C)[C@H](C)CC)c1 ZINC000303974473 1294614525 /nfs/dbraw/zinc/61/45/25/1294614525.db2.gz HVURGKKXMCZNOG-CQSZACIVSA-N 1 3 336.480 2.941 20 30 EFEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345433 1313109813 /nfs/dbraw/zinc/10/98/13/1313109813.db2.gz IIVPOFBIDVWMPL-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640239 1313121772 /nfs/dbraw/zinc/12/17/72/1313121772.db2.gz UMRUXALXXLIOPL-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640239 1313121773 /nfs/dbraw/zinc/12/17/73/1313121773.db2.gz UMRUXALXXLIOPL-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN[C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865449 1295306757 /nfs/dbraw/zinc/30/67/57/1295306757.db2.gz KXFKRCCEACTKGE-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCCN[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885429 1295319028 /nfs/dbraw/zinc/31/90/28/1295319028.db2.gz HCDPDSWMPWSETQ-IEBWSBKVSA-N 1 3 347.503 2.604 20 30 EFEDHO CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)Oc1cccc(C)c1 ZINC000304759203 1295749922 /nfs/dbraw/zinc/74/99/22/1295749922.db2.gz QXYRMOLYPOXVEY-SJORKVTESA-N 1 3 332.492 2.541 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC1CC1 ZINC000304952532 1295793648 /nfs/dbraw/zinc/79/36/48/1295793648.db2.gz TXUGIUKRMXSUDM-SFHVURJKSA-N 1 3 344.503 2.672 20 30 EFEDHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cc(F)cc(C#N)c3)(C1)CCC2 ZINC001275413391 1296274717 /nfs/dbraw/zinc/27/47/17/1296274717.db2.gz JYGJHHMVAVGCMH-VQTJNVASSA-N 1 3 344.478 2.784 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]3CC2)cc1C#N ZINC001277930399 1313261939 /nfs/dbraw/zinc/26/19/39/1313261939.db2.gz HYIYHTKYWWTXGE-HDICACEKSA-N 1 3 326.488 2.983 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]3CC2)cc1C#N ZINC001277930399 1313261944 /nfs/dbraw/zinc/26/19/44/1313261944.db2.gz HYIYHTKYWWTXGE-HDICACEKSA-N 1 3 326.488 2.983 20 30 EFEDHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030195 1296494196 /nfs/dbraw/zinc/49/41/96/1296494196.db2.gz BZDQZROGVIMRFM-OQIJWPOYSA-N 1 3 326.488 2.697 20 30 EFEDHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030195 1296494198 /nfs/dbraw/zinc/49/41/98/1296494198.db2.gz BZDQZROGVIMRFM-OQIJWPOYSA-N 1 3 326.488 2.697 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049766760 1313276767 /nfs/dbraw/zinc/27/67/67/1313276767.db2.gz MXSGZQZNRLHZFS-GBESFXJTSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049766760 1313276771 /nfs/dbraw/zinc/27/67/71/1313276771.db2.gz MXSGZQZNRLHZFS-GBESFXJTSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768699 1313279542 /nfs/dbraw/zinc/27/95/42/1313279542.db2.gz YQMAGFLXRPOMED-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768699 1313279545 /nfs/dbraw/zinc/27/95/45/1313279545.db2.gz YQMAGFLXRPOMED-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960272570 1296683436 /nfs/dbraw/zinc/68/34/36/1296683436.db2.gz DZOHYGMSBWYGKQ-HSALFYBXSA-N 1 3 341.499 2.809 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960272570 1296683455 /nfs/dbraw/zinc/68/34/55/1296683455.db2.gz DZOHYGMSBWYGKQ-HSALFYBXSA-N 1 3 341.499 2.809 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CCCO1 ZINC001201930188 1297155191 /nfs/dbraw/zinc/15/51/91/1297155191.db2.gz BLFBSQMRPLVEJG-GOSISDBHSA-N 1 3 341.540 2.506 20 30 EFEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202163172 1297267199 /nfs/dbraw/zinc/26/71/99/1297267199.db2.gz CPGMCWHFLRGKEV-SFHVURJKSA-N 1 3 341.540 2.504 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001049835542 1313365500 /nfs/dbraw/zinc/36/55/00/1313365500.db2.gz JSHWHSSQRRRVKG-QRVBRYPASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049835542 1313365504 /nfs/dbraw/zinc/36/55/04/1313365504.db2.gz JSHWHSSQRRRVKG-QRVBRYPASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915366 1313479623 /nfs/dbraw/zinc/47/96/23/1313479623.db2.gz UJROZUWIKQUIMC-IPMKNSEASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915367 1313479693 /nfs/dbraw/zinc/47/96/93/1313479693.db2.gz UJROZUWIKQUIMC-OTWHNJEPSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182321 1298263782 /nfs/dbraw/zinc/26/37/82/1298263782.db2.gz LDQVSGVTQAMCTG-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182321 1298263792 /nfs/dbraw/zinc/26/37/92/1298263792.db2.gz LDQVSGVTQAMCTG-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188628 1298274400 /nfs/dbraw/zinc/27/44/00/1298274400.db2.gz VVZRZVCWLZZMND-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188628 1298274408 /nfs/dbraw/zinc/27/44/08/1298274408.db2.gz VVZRZVCWLZZMND-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961243938 1298405871 /nfs/dbraw/zinc/40/58/71/1298405871.db2.gz AKQOBIRJAKMZDT-VQTJNVASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961243938 1298405879 /nfs/dbraw/zinc/40/58/79/1298405879.db2.gz AKQOBIRJAKMZDT-VQTJNVASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961349474 1298594537 /nfs/dbraw/zinc/59/45/37/1298594537.db2.gz SQCFHAFQFNFIMZ-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO 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343.515 2.951 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044861224 1306871792 /nfs/dbraw/zinc/87/17/92/1306871792.db2.gz AQOXICJKFIVCDZ-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025297 1306903889 /nfs/dbraw/zinc/90/38/89/1306903889.db2.gz MZTYFJNZLUIWOU-HXUWFJFHSA-N 1 3 343.515 2.951 20 30 EFEDHO C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072514 1306946095 /nfs/dbraw/zinc/94/60/95/1306946095.db2.gz KLEFVDFBMBLPFR-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072515 1306946587 /nfs/dbraw/zinc/94/65/87/1306946587.db2.gz KLEFVDFBMBLPFR-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCN1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109042 1306985171 /nfs/dbraw/zinc/98/51/71/1306985171.db2.gz SSSSCONUCCFDMK-IBGZPJMESA-N 1 3 333.520 2.655 20 30 EFEDHO CC#CCN1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441639 1307341852 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ZINC001045966976 1308024308 /nfs/dbraw/zinc/02/43/08/1308024308.db2.gz KMBFMIMUHVCAEH-CTNGQTDRSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966976 1308024311 /nfs/dbraw/zinc/02/43/11/1308024311.db2.gz KMBFMIMUHVCAEH-CTNGQTDRSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703210 1314311496 /nfs/dbraw/zinc/31/14/96/1314311496.db2.gz RGVXPKIVMJUJFF-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703210 1314311501 /nfs/dbraw/zinc/31/15/01/1314311501.db2.gz RGVXPKIVMJUJFF-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001047225409 1310352626 /nfs/dbraw/zinc/35/26/26/1310352626.db2.gz DIQLOBUXPQPSFV-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047242878 1310396789 /nfs/dbraw/zinc/39/67/89/1310396789.db2.gz GYXDGZNUBSDDDZ-WOJBJXKFSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047243605 1310397590 /nfs/dbraw/zinc/39/75/90/1310397590.db2.gz LTEGUZWEPBIOOC-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047243298 1310398203 /nfs/dbraw/zinc/39/82/03/1310398203.db2.gz JXLSHYCXLZGQEW-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001047254431 1310425627 /nfs/dbraw/zinc/42/56/27/1310425627.db2.gz PKTAEDHOEQDXER-LJQANCHMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047258281 1310435809 /nfs/dbraw/zinc/43/58/09/1310435809.db2.gz YXUMZCRMOHIEBG-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001047266213 1310460829 /nfs/dbraw/zinc/46/08/29/1310460829.db2.gz TUCWCMIHYDVHSR-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001101231317 1311228032 /nfs/dbraw/zinc/22/80/32/1311228032.db2.gz XTDJPVIKONBCOZ-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001101231317 1311228036 /nfs/dbraw/zinc/22/80/36/1311228036.db2.gz XTDJPVIKONBCOZ-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628764 1311555430 /nfs/dbraw/zinc/55/54/30/1311555430.db2.gz PMHKMBRUEBXVCB-LJQANCHMSA-N 1 3 333.520 2.965 20 30 EFEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628764 1311555431 /nfs/dbraw/zinc/55/54/31/1311555431.db2.gz PMHKMBRUEBXVCB-LJQANCHMSA-N 1 3 333.520 2.965 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360345 1311696885 /nfs/dbraw/zinc/69/68/85/1311696885.db2.gz PKBZFIIOAVKHJW-FQEVSTJZSA-N 1 3 343.515 2.555 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360345 1311696888 /nfs/dbraw/zinc/69/68/88/1311696888.db2.gz PKBZFIIOAVKHJW-FQEVSTJZSA-N 1 3 343.515 2.555 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226878330 1311736268 /nfs/dbraw/zinc/73/62/68/1311736268.db2.gz PUZBDCVIVBVDGX-BZUAXINKSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226878330 1311736270 /nfs/dbraw/zinc/73/62/70/1311736270.db2.gz PUZBDCVIVBVDGX-BZUAXINKSA-N 1 3 327.900 2.630 20 30 EFEDHO C=CC(C=C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160139 1311770061 /nfs/dbraw/zinc/77/00/61/1311770061.db2.gz DBDIRTOWQZGITJ-UHFFFAOYSA-N 1 3 331.504 2.991 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048531590 1311869467 /nfs/dbraw/zinc/86/94/67/1311869467.db2.gz UCPBSPSHDZGHGA-FCGDIQPGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048531590 1311869470 /nfs/dbraw/zinc/86/94/70/1311869470.db2.gz UCPBSPSHDZGHGA-FCGDIQPGSA-N 1 3 333.520 2.796 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491732 1311899988 /nfs/dbraw/zinc/89/99/88/1311899988.db2.gz MJHVLFAAIRVLHD-IBGZPJMESA-N 1 3 333.520 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC001161947098 1312010798 /nfs/dbraw/zinc/01/07/98/1312010798.db2.gz XVLGFKVDOPDFEY-SFHVURJKSA-N 1 3 345.531 2.516 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@@H+](C[C@@H](C)CC)CC2)CC1 ZINC001161947098 1312010802 /nfs/dbraw/zinc/01/08/02/1312010802.db2.gz XVLGFKVDOPDFEY-SFHVURJKSA-N 1 3 345.531 2.516 20 30 EFEDHO C#CCC[N@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161947022 1312011348 /nfs/dbraw/zinc/01/13/48/1312011348.db2.gz SCZHDTLNRYKRKU-UHFFFAOYSA-N 1 3 339.483 2.524 20 30 EFEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161947022 1312011349 /nfs/dbraw/zinc/01/13/49/1312011349.db2.gz SCZHDTLNRYKRKU-UHFFFAOYSA-N 1 3 339.483 2.524 20 30 EFEDHO C=CCCC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001229193278 1312060130 /nfs/dbraw/zinc/06/01/30/1312060130.db2.gz IOUINXGIYSPTBA-LJQANCHMSA-N 1 3 339.499 2.746 20 30 EFEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1CCCC ZINC001229615409 1312120090 /nfs/dbraw/zinc/12/00/90/1312120090.db2.gz JKIHGBUPDAJTGH-QRVBRYPASA-N 1 3 333.520 2.681 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)N(C)C ZINC001162832424 1312186762 /nfs/dbraw/zinc/18/67/62/1312186762.db2.gz SJXQXDYJNJAZDB-FQEVSTJZSA-N 1 3 343.515 2.564 20 30 EFEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679450 1312202937 /nfs/dbraw/zinc/20/29/37/1312202937.db2.gz FRBLAGIKIHKHLW-SFHVURJKSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162929259 1312206164 /nfs/dbraw/zinc/20/61/64/1312206164.db2.gz UUQCNPCVAUDHPF-IBGZPJMESA-N 1 3 343.515 2.708 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)(C)C)CC1 ZINC001230251973 1312210880 /nfs/dbraw/zinc/21/08/80/1312210880.db2.gz TXDVAUMPKKAZGK-RTBURBONSA-N 1 3 347.547 2.785 20 30 EFEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266476 1312212591 /nfs/dbraw/zinc/21/25/91/1312212591.db2.gz JTYIPWMEQBDZIE-RTBURBONSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163006240 1312224622 /nfs/dbraw/zinc/22/46/22/1312224622.db2.gz ARFCZXWYCTXGNA-UHFFFAOYSA-N 1 3 331.504 2.564 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001230598100 1312278306 /nfs/dbraw/zinc/27/83/06/1312278306.db2.gz FKTLAYMAKFIHMW-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001230598100 1312278308 /nfs/dbraw/zinc/27/83/08/1312278308.db2.gz FKTLAYMAKFIHMW-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230617925 1312286088 /nfs/dbraw/zinc/28/60/88/1312286088.db2.gz IIBLCOMUXILAGZ-KRWDZBQOSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230617925 1312286089 /nfs/dbraw/zinc/28/60/89/1312286089.db2.gz IIBLCOMUXILAGZ-KRWDZBQOSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097956 1312453663 /nfs/dbraw/zinc/45/36/63/1312453663.db2.gz YTJMHLPCKJXXNQ-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097956 1312453665 /nfs/dbraw/zinc/45/36/65/1312453665.db2.gz YTJMHLPCKJXXNQ-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250966 1314463084 /nfs/dbraw/zinc/46/30/84/1314463084.db2.gz ZBOKMWVHXOXJLO-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211338366 1314479203 /nfs/dbraw/zinc/47/92/03/1314479203.db2.gz ZNEMYCGIZNQZNV-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211338366 1314479206 /nfs/dbraw/zinc/47/92/06/1314479206.db2.gz ZNEMYCGIZNQZNV-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)CC2)CC1 ZINC001052953733 1314513681 /nfs/dbraw/zinc/51/36/81/1314513681.db2.gz GYLMBDNOWQKPRB-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)CC2)CC1 ZINC001052953733 1314513685 /nfs/dbraw/zinc/51/36/85/1314513685.db2.gz GYLMBDNOWQKPRB-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958827 1314518894 /nfs/dbraw/zinc/51/88/94/1314518894.db2.gz PQTMOTYGRIWHPL-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958827 1314518901 /nfs/dbraw/zinc/51/89/01/1314518901.db2.gz PQTMOTYGRIWHPL-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001245981441 1314558991 /nfs/dbraw/zinc/55/89/91/1314558991.db2.gz GZADJSLYWZYSAD-ZSYWTGECSA-N 1 3 326.525 2.702 20 30 EFEDHO CCCCCCCCCC[C@H](O)CN[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245981441 1314558994 /nfs/dbraw/zinc/55/89/94/1314558994.db2.gz GZADJSLYWZYSAD-ZSYWTGECSA-N 1 3 326.525 2.702 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027825 1314598466 /nfs/dbraw/zinc/59/84/66/1314598466.db2.gz HRTZISNJLYXZFQ-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027825 1314598471 /nfs/dbraw/zinc/59/84/71/1314598471.db2.gz HRTZISNJLYXZFQ-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)cc1 ZINC001278436819 1314600219 /nfs/dbraw/zinc/60/02/19/1314600219.db2.gz WOQFWKMWMRRIRR-QFIPXVFZSA-N 1 3 348.494 2.853 20 30 EFEDHO C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)cc1 ZINC001278436819 1314600222 /nfs/dbraw/zinc/60/02/22/1314600222.db2.gz WOQFWKMWMRRIRR-QFIPXVFZSA-N 1 3 348.494 2.853 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CCN[C@@H](C)C3)cc(C#N)c21 ZINC001246329328 1314611073 /nfs/dbraw/zinc/61/10/73/1314611073.db2.gz VANDRVUWJUYAPG-NJSLBKSFSA-N 1 3 338.455 2.834 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)N[C@H]3CC[NH2+][C@@H](C)C3)cc(C#N)c21 ZINC001246329328 1314611075 /nfs/dbraw/zinc/61/10/75/1314611075.db2.gz VANDRVUWJUYAPG-NJSLBKSFSA-N 1 3 338.455 2.834 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H]3CCN[C@H](C)C3)cc(C#N)c21 ZINC001246329330 1314611094 /nfs/dbraw/zinc/61/10/94/1314611094.db2.gz VANDRVUWJUYAPG-PJIJBLCYSA-N 1 3 338.455 2.834 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@@H](C)N[C@@H]3CC[NH2+][C@H](C)C3)cc(C#N)c21 ZINC001246329330 1314611098 /nfs/dbraw/zinc/61/10/98/1314611098.db2.gz VANDRVUWJUYAPG-PJIJBLCYSA-N 1 3 338.455 2.834 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088195 1314695853 /nfs/dbraw/zinc/69/58/53/1314695853.db2.gz QUXBBDKTFUNPSD-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088195 1314695856 /nfs/dbraw/zinc/69/58/56/1314695856.db2.gz QUXBBDKTFUNPSD-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001214902441 1314756065 /nfs/dbraw/zinc/75/60/65/1314756065.db2.gz PLARMHNJAGJLOW-KURKYZTESA-N 1 3 325.541 2.980 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248071 1314818012 /nfs/dbraw/zinc/81/80/12/1314818012.db2.gz LUGDPFQKNBTLBB-HKUYNNGSSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248071 1314818015 /nfs/dbraw/zinc/81/80/15/1314818015.db2.gz LUGDPFQKNBTLBB-HKUYNNGSSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829293 1315012948 /nfs/dbraw/zinc/01/29/48/1315012948.db2.gz VAJUTHZFTFZOFY-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO N#C[C@@H]1CNC[C@@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217833224 1315116462 /nfs/dbraw/zinc/11/64/62/1315116462.db2.gz RMIDCYASVJGKCT-QUCCMNQESA-N 1 3 343.471 2.570 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141385 1315357028 /nfs/dbraw/zinc/35/70/28/1315357028.db2.gz KGXTXOINKDNIFJ-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141385 1315357034 /nfs/dbraw/zinc/35/70/34/1315357034.db2.gz KGXTXOINKDNIFJ-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO CCCCCCCC[C@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252134140 1315417960 /nfs/dbraw/zinc/41/79/60/1315417960.db2.gz NPTSSNJYFTWWME-IBGZPJMESA-N 1 3 327.557 2.714 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197536 1315441004 /nfs/dbraw/zinc/44/10/04/1315441004.db2.gz YOMFHRLHHFRFEA-OAQYLSRUSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197536 1315441009 /nfs/dbraw/zinc/44/10/09/1315441009.db2.gz YOMFHRLHHFRFEA-OAQYLSRUSA-N 1 3 347.547 2.999 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209114 1315459195 /nfs/dbraw/zinc/45/91/95/1315459195.db2.gz JPWBEWBIDSWWFU-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209114 1315459199 /nfs/dbraw/zinc/45/91/99/1315459199.db2.gz JPWBEWBIDSWWFU-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209628 1315460948 /nfs/dbraw/zinc/46/09/48/1315460948.db2.gz UIVTYOZHOWLGGV-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209628 1315460949 /nfs/dbraw/zinc/46/09/49/1315460949.db2.gz UIVTYOZHOWLGGV-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243739 1315513772 /nfs/dbraw/zinc/51/37/72/1315513772.db2.gz NDVCZDQKYFLGLL-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243739 1315513778 /nfs/dbraw/zinc/51/37/78/1315513778.db2.gz NDVCZDQKYFLGLL-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244827 1315514873 /nfs/dbraw/zinc/51/48/73/1315514873.db2.gz JEYVVVOVCWKEOQ-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244827 1315514878 /nfs/dbraw/zinc/51/48/78/1315514878.db2.gz JEYVVVOVCWKEOQ-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159102 1315555254 /nfs/dbraw/zinc/55/52/54/1315555254.db2.gz CTIZRTMGKARFON-IBGZPJMESA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159102 1315555258 /nfs/dbraw/zinc/55/52/58/1315555258.db2.gz CTIZRTMGKARFON-IBGZPJMESA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165430 1315565202 /nfs/dbraw/zinc/56/52/02/1315565202.db2.gz PVVKNLBHAHCDJZ-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165430 1315565206 /nfs/dbraw/zinc/56/52/06/1315565206.db2.gz PVVKNLBHAHCDJZ-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039183131 1315591227 /nfs/dbraw/zinc/59/12/27/1315591227.db2.gz WSGCRRLZGJFNDF-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039183131 1315591230 /nfs/dbraw/zinc/59/12/30/1315591230.db2.gz WSGCRRLZGJFNDF-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157763 1315745733 /nfs/dbraw/zinc/74/57/33/1315745733.db2.gz LAKQRNCQUOHHPF-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157763 1315745735 /nfs/dbraw/zinc/74/57/35/1315745735.db2.gz LAKQRNCQUOHHPF-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1CCC ZINC001039385182 1315755163 /nfs/dbraw/zinc/75/51/63/1315755163.db2.gz AXFFVTJHKGXQMQ-QYZOEREBSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1CCC ZINC001039385182 1315755165 /nfs/dbraw/zinc/75/51/65/1315755165.db2.gz AXFFVTJHKGXQMQ-QYZOEREBSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001039410819 1315773483 /nfs/dbraw/zinc/77/34/83/1315773483.db2.gz AQKRBUAKYQFTNQ-AABGKKOBSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001039410819 1315773485 /nfs/dbraw/zinc/77/34/85/1315773485.db2.gz AQKRBUAKYQFTNQ-AABGKKOBSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447804 1315797568 /nfs/dbraw/zinc/79/75/68/1315797568.db2.gz KPVDRYWSDKUKHW-OTWHNJEPSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCOC(=O)N1CCC(C[NH2+][C@@H](C)CCN(CC)CC)CC1 ZINC001255950895 1315884242 /nfs/dbraw/zinc/88/42/42/1315884242.db2.gz FCSHSXYVHPTWLZ-INIZCTEOSA-N 1 3 325.497 2.731 20 30 EFEDHO N#Cc1cccc(OCCC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683993 1315981532 /nfs/dbraw/zinc/98/15/32/1315981532.db2.gz KOEVTELUBQZDLO-UHFFFAOYSA-N 1 3 343.471 2.560 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240772 1316160765 /nfs/dbraw/zinc/16/07/65/1316160765.db2.gz JJKHJEBFHNZCOW-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240772 1316160767 /nfs/dbraw/zinc/16/07/67/1316160767.db2.gz JJKHJEBFHNZCOW-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040242520 1316162273 /nfs/dbraw/zinc/16/22/73/1316162273.db2.gz YQFUDPCOASZIGG-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040242520 1316162276 /nfs/dbraw/zinc/16/22/76/1316162276.db2.gz YQFUDPCOASZIGG-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCOC(=O)N1CCC[C@@]2(CCN(C3CC[NH+](CCC)CC3)C2)C1 ZINC001258771710 1316176950 /nfs/dbraw/zinc/17/69/50/1316176950.db2.gz QGGMXAIBDYWTLF-FQEVSTJZSA-N 1 3 349.519 2.971 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040432997 1316262835 /nfs/dbraw/zinc/26/28/35/1316262835.db2.gz QVKICAIDKCMJTM-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040432997 1316262838 /nfs/dbraw/zinc/26/28/38/1316262838.db2.gz QVKICAIDKCMJTM-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040543126 1316315136 /nfs/dbraw/zinc/31/51/36/1316315136.db2.gz HKVWDDBNBJWCEG-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040543126 1316315137 /nfs/dbraw/zinc/31/51/37/1316315137.db2.gz HKVWDDBNBJWCEG-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040543287 1316315245 /nfs/dbraw/zinc/31/52/45/1316315245.db2.gz NNGAJKNSBVNCDW-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040543287 1316315249 /nfs/dbraw/zinc/31/52/49/1316315249.db2.gz NNGAJKNSBVNCDW-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001040875119 1316394882 /nfs/dbraw/zinc/39/48/82/1316394882.db2.gz RYIUCXSCEDQCEP-IBGZPJMESA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782183 1316696392 /nfs/dbraw/zinc/69/63/92/1316696392.db2.gz SMQFBSALZVWMRN-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782183 1316696394 /nfs/dbraw/zinc/69/63/94/1316696394.db2.gz SMQFBSALZVWMRN-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844582 1316730972 /nfs/dbraw/zinc/73/09/72/1316730972.db2.gz LLGQPMZEJCYCAR-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844582 1316730974 /nfs/dbraw/zinc/73/09/74/1316730974.db2.gz LLGQPMZEJCYCAR-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062762 1316852445 /nfs/dbraw/zinc/85/24/45/1316852445.db2.gz OPPSJOKOMUDXAF-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062762 1316852448 /nfs/dbraw/zinc/85/24/48/1316852448.db2.gz OPPSJOKOMUDXAF-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186187 1316940168 /nfs/dbraw/zinc/94/01/68/1316940168.db2.gz DRYMYKSFZBRYNY-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186187 1316940172 /nfs/dbraw/zinc/94/01/72/1316940172.db2.gz DRYMYKSFZBRYNY-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC001042234208 1316998456 /nfs/dbraw/zinc/99/84/56/1316998456.db2.gz LBJHJQMQLLXYMC-UYAOXDASSA-N 1 3 341.499 2.513 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042363986 1317215985 /nfs/dbraw/zinc/21/59/85/1317215985.db2.gz BBLYKUCOBPVDMC-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042363986 1317215991 /nfs/dbraw/zinc/21/59/91/1317215991.db2.gz BBLYKUCOBPVDMC-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365840 1317218823 /nfs/dbraw/zinc/21/88/23/1317218823.db2.gz RCQXROJKQDCPAQ-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365840 1317218832 /nfs/dbraw/zinc/21/88/32/1317218832.db2.gz RCQXROJKQDCPAQ-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001323835586 1329576614 /nfs/dbraw/zinc/57/66/14/1329576614.db2.gz MIUVMGOSLGTSJO-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC001335985997 1331424324 /nfs/dbraw/zinc/42/43/24/1331424324.db2.gz HYUDIZMDKMQSKV-KRWDZBQOSA-N 1 3 340.389 2.816 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570364 1332268887 /nfs/dbraw/zinc/26/88/87/1332268887.db2.gz XNGYHBFJNXDEHR-MOPGFXCFSA-N 1 3 329.488 2.698 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570364 1332268889 /nfs/dbraw/zinc/26/88/89/1332268889.db2.gz XNGYHBFJNXDEHR-MOPGFXCFSA-N 1 3 329.488 2.698 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001343560731 1332357884 /nfs/dbraw/zinc/35/78/84/1332357884.db2.gz OWNOTBZQKXKUMJ-MJGOQNOKSA-N 1 3 329.488 2.793 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570785 1335316832 /nfs/dbraw/zinc/31/68/32/1335316832.db2.gz OZFKADNGEMVWAX-NEWSRXKRSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570785 1335316833 /nfs/dbraw/zinc/31/68/33/1335316833.db2.gz OZFKADNGEMVWAX-NEWSRXKRSA-N 1 3 329.488 2.697 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192886 1360369087 /nfs/dbraw/zinc/36/90/87/1360369087.db2.gz ARMHGGTUDRHGRY-IAGOWNOFSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401295834 1362642213 /nfs/dbraw/zinc/64/22/13/1362642213.db2.gz ZFWATCZYRUUKRW-SJORKVTESA-N 1 3 343.943 2.980 20 30 EFEDHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001402442074 1363695550 /nfs/dbraw/zinc/69/55/50/1363695550.db2.gz USGMDYGWJXPVEL-YYIAUSFCSA-N 1 3 341.927 2.684 20 30 EFEDHO C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001407020555 1368335548 /nfs/dbraw/zinc/33/55/48/1368335548.db2.gz LIQJSIKBBOROAS-UHFFFAOYSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)CN(C)CCC)CC1 ZINC001407020555 1368335554 /nfs/dbraw/zinc/33/55/54/1368335554.db2.gz LIQJSIKBBOROAS-UHFFFAOYSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001420753768 1377600418 /nfs/dbraw/zinc/60/04/18/1377600418.db2.gz BYYKGNYZHWPUJN-ZBFHGGJFSA-N 1 3 329.916 2.542 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001438430880 1388592752 /nfs/dbraw/zinc/59/27/52/1388592752.db2.gz DNXZFXARFTVJEE-RDTXWAMCSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC([NH+](CC)CC)CC2)CC1 ZINC000106341035 1416799807 /nfs/dbraw/zinc/79/98/07/1416799807.db2.gz SNFRXEOLQBJOIO-UHFFFAOYSA-N 1 3 336.524 2.543 20 30 EFEDHO C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001716715272 1418970585 /nfs/dbraw/zinc/97/05/85/1418970585.db2.gz RJONONGYVMIGPE-IBGZPJMESA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001716715272 1418970588 /nfs/dbraw/zinc/97/05/88/1418970588.db2.gz RJONONGYVMIGPE-IBGZPJMESA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001020502341 713087995 /nfs/dbraw/zinc/08/79/95/713087995.db2.gz JAZXEHVIMGRTTO-ZOBUZTSGSA-N 1 3 339.911 2.773 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502341 713087998 /nfs/dbraw/zinc/08/79/98/713087998.db2.gz JAZXEHVIMGRTTO-ZOBUZTSGSA-N 1 3 339.911 2.773 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679594 713214339 /nfs/dbraw/zinc/21/43/39/713214339.db2.gz HAJHYDBRRAJEIF-DLBZAZTESA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679594 713214341 /nfs/dbraw/zinc/21/43/41/713214341.db2.gz HAJHYDBRRAJEIF-DLBZAZTESA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132930 713469233 /nfs/dbraw/zinc/46/92/33/713469233.db2.gz DCDXXXUIMYXCDC-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132930 713469235 /nfs/dbraw/zinc/46/92/35/713469235.db2.gz DCDXXXUIMYXCDC-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N(C)C ZINC001039288754 714259903 /nfs/dbraw/zinc/25/99/03/714259903.db2.gz GQGRNRXGDLBZBJ-NPYXIHBLSA-N 1 3 339.911 2.581 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669940 714271528 /nfs/dbraw/zinc/27/15/28/714271528.db2.gz IPXYXTSLJJMWIO-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669940 714271532 /nfs/dbraw/zinc/27/15/32/714271532.db2.gz IPXYXTSLJJMWIO-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980239047 717967449 /nfs/dbraw/zinc/96/74/49/717967449.db2.gz CCCWBJFCAZYLKN-XUVXKRRUSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980239047 717967452 /nfs/dbraw/zinc/96/74/52/717967452.db2.gz CCCWBJFCAZYLKN-XUVXKRRUSA-N 1 3 341.499 2.765 20 30 EFEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947192 715370194 /nfs/dbraw/zinc/37/01/94/715370194.db2.gz NRAZBWQICYSRHZ-RBUKOAKNSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947192 715370199 /nfs/dbraw/zinc/37/01/99/715370199.db2.gz NRAZBWQICYSRHZ-RBUKOAKNSA-N 1 3 345.531 2.633 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977641283 716432777 /nfs/dbraw/zinc/43/27/77/716432777.db2.gz NDGIMRXBNIOGKM-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977641283 716432779 /nfs/dbraw/zinc/43/27/79/716432779.db2.gz NDGIMRXBNIOGKM-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654941 716446657 /nfs/dbraw/zinc/44/66/57/716446657.db2.gz NJEJAKAVQOMPJG-LJQANCHMSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654941 716446661 /nfs/dbraw/zinc/44/66/61/716446661.db2.gz NJEJAKAVQOMPJG-LJQANCHMSA-N 1 3 347.547 2.594 20 30 EFEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553260 716618383 /nfs/dbraw/zinc/61/83/83/716618383.db2.gz YKRYGWCDRFQAGX-UYAOXDASSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023553260 716618385 /nfs/dbraw/zinc/61/83/85/716618385.db2.gz YKRYGWCDRFQAGX-UYAOXDASSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979074045 716705239 /nfs/dbraw/zinc/70/52/39/716705239.db2.gz BUXZOQBDTWCLMA-OWZKRDHZSA-N 1 3 341.499 2.622 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979074045 716705245 /nfs/dbraw/zinc/70/52/45/716705245.db2.gz BUXZOQBDTWCLMA-OWZKRDHZSA-N 1 3 341.499 2.622 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441020 717740450 /nfs/dbraw/zinc/74/04/50/717740450.db2.gz XDHNFDGQIJFWEU-QUCCMNQESA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441020 717740456 /nfs/dbraw/zinc/74/04/56/717740456.db2.gz XDHNFDGQIJFWEU-QUCCMNQESA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287071 718523186 /nfs/dbraw/zinc/52/31/86/718523186.db2.gz BTIKDTHFBHHXID-SJORKVTESA-N 1 3 342.487 2.556 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287071 718523190 /nfs/dbraw/zinc/52/31/90/718523190.db2.gz BTIKDTHFBHHXID-SJORKVTESA-N 1 3 342.487 2.556 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094448 718727672 /nfs/dbraw/zinc/72/76/72/718727672.db2.gz ZVAUIKTUTBUMSA-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094448 718727676 /nfs/dbraw/zinc/72/76/76/718727676.db2.gz ZVAUIKTUTBUMSA-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624064 719242427 /nfs/dbraw/zinc/24/24/27/719242427.db2.gz AXUSACMIRKLBNW-YLJYHZDGSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624064 719242428 /nfs/dbraw/zinc/24/24/28/719242428.db2.gz AXUSACMIRKLBNW-YLJYHZDGSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629316 719253580 /nfs/dbraw/zinc/25/35/80/719253580.db2.gz FSOYLICFVARAQH-MSOLQXFVSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629316 719253582 /nfs/dbraw/zinc/25/35/82/719253582.db2.gz FSOYLICFVARAQH-MSOLQXFVSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052764 719508111 /nfs/dbraw/zinc/50/81/11/719508111.db2.gz ZJEQAHCHZWWVMU-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052764 719508113 /nfs/dbraw/zinc/50/81/13/719508113.db2.gz ZJEQAHCHZWWVMU-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160446 719618529 /nfs/dbraw/zinc/61/85/29/719618529.db2.gz YPEDULMTRMFGAM-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160446 719618533 /nfs/dbraw/zinc/61/85/33/719618533.db2.gz YPEDULMTRMFGAM-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276678 719776049 /nfs/dbraw/zinc/77/60/49/719776049.db2.gz ZBEZCYJRADGRCW-NRSPTQNISA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276678 719776051 /nfs/dbraw/zinc/77/60/51/719776051.db2.gz ZBEZCYJRADGRCW-NRSPTQNISA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292488 719823094 /nfs/dbraw/zinc/82/30/94/719823094.db2.gz LTEOXFNFOJDHOG-RLLQIKCJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292488 719823098 /nfs/dbraw/zinc/82/30/98/719823098.db2.gz LTEOXFNFOJDHOG-RLLQIKCJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428556 720047094 /nfs/dbraw/zinc/04/70/94/720047094.db2.gz JBFAZRVKXNGJQP-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428556 720047098 /nfs/dbraw/zinc/04/70/98/720047098.db2.gz JBFAZRVKXNGJQP-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831412 721303773 /nfs/dbraw/zinc/30/37/73/721303773.db2.gz KYORPRKPOZKFIV-JYAXBFRTSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831412 721303779 /nfs/dbraw/zinc/30/37/79/721303779.db2.gz KYORPRKPOZKFIV-JYAXBFRTSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862402 721484060 /nfs/dbraw/zinc/48/40/60/721484060.db2.gz KAPAYQNZGPADCX-MSOLQXFVSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862402 721484064 /nfs/dbraw/zinc/48/40/64/721484064.db2.gz KAPAYQNZGPADCX-MSOLQXFVSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000639 722617978 /nfs/dbraw/zinc/61/79/78/722617978.db2.gz GRFHVBTWVDDVSN-GOSISDBHSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000639 722617979 /nfs/dbraw/zinc/61/79/79/722617979.db2.gz GRFHVBTWVDDVSN-GOSISDBHSA-N 1 3 329.488 2.766 20 30 EFEDHO C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC[C@H]1C ZINC000262492739 724160562 /nfs/dbraw/zinc/16/05/62/724160562.db2.gz JNLHHGIGPUAOHK-INMHGKMJSA-N 1 3 330.476 2.677 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040728069 725733800 /nfs/dbraw/zinc/73/38/00/725733800.db2.gz ZGMDWLLITFYHGI-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057801 726119923 /nfs/dbraw/zinc/11/99/23/726119923.db2.gz ZGJUYXBXWHTDCH-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057801 726119925 /nfs/dbraw/zinc/11/99/25/726119925.db2.gz ZGJUYXBXWHTDCH-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SCC[NH+]1CCCC1 ZINC000732736838 727212415 /nfs/dbraw/zinc/21/24/15/727212415.db2.gz CAGHKTQVERIWCZ-UHFFFAOYSA-N 1 3 349.548 2.680 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994203258 727622491 /nfs/dbraw/zinc/62/24/91/727622491.db2.gz KSLOOBPBRXTSSP-VQIMIIECSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489043 727769907 /nfs/dbraw/zinc/76/99/07/727769907.db2.gz SGZJOCOYTDCHIQ-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489039 727769918 /nfs/dbraw/zinc/76/99/18/727769918.db2.gz SGZJOCOYTDCHIQ-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO COCCN(Cc1ccc(C#N)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC001579032950 1090501730 /nfs/dbraw/zinc/50/17/30/1090501730.db2.gz NIJZEUONXMMFBW-UHFFFAOYSA-N 1 3 335.451 2.853 20 30 EFEDHO Cn1cc(CN2C[C@H]3CCCC[C@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961667 1090733869 /nfs/dbraw/zinc/73/38/69/1090733869.db2.gz PRMSDQGMKNGCCS-CTNGQTDRSA-N 1 3 349.482 2.910 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448072 1092755896 /nfs/dbraw/zinc/75/58/96/1092755896.db2.gz NCWKKLDOJILZKH-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448072 1092755904 /nfs/dbraw/zinc/75/59/04/1092755904.db2.gz NCWKKLDOJILZKH-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454546 1093053037 /nfs/dbraw/zinc/05/30/37/1093053037.db2.gz XOXQMGVCPYVNMK-SFHVURJKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454546 1093053042 /nfs/dbraw/zinc/05/30/42/1093053042.db2.gz XOXQMGVCPYVNMK-SFHVURJKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458441 1093229991 /nfs/dbraw/zinc/22/99/91/1093229991.db2.gz GBYUWCPAAYMGJH-MOPGFXCFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458441 1093229999 /nfs/dbraw/zinc/22/99/99/1093229999.db2.gz GBYUWCPAAYMGJH-MOPGFXCFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728902 1094764721 /nfs/dbraw/zinc/76/47/21/1094764721.db2.gz GVCCMJXVBCQBBA-IAGOWNOFSA-N 1 3 332.492 2.773 20 30 EFEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753676 1095677944 /nfs/dbraw/zinc/67/79/44/1095677944.db2.gz NLJUQDQSVJPQPL-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CN(C)C2CCC2)CCCC[C@@H]1C ZINC001481956638 1096994616 /nfs/dbraw/zinc/99/46/16/1096994616.db2.gz BAWCJTQLHPOMRT-KSSFIOAISA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)CCC[NH+](C)C)CCCC[C@@H]1C ZINC001481960146 1097009352 /nfs/dbraw/zinc/00/93/52/1097009352.db2.gz BKQIUYLGWCSQBM-WMLDXEAASA-N 1 3 329.916 2.735 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001211667102 1099374513 /nfs/dbraw/zinc/37/45/13/1099374513.db2.gz WGJGJJXRWAIOMI-XUVXKRRUSA-N 1 3 343.515 2.733 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001105062292 1099525056 /nfs/dbraw/zinc/52/50/56/1099525056.db2.gz KXMBQJPPQUGDLQ-NVXWUHKLSA-N 1 3 341.927 2.689 20 30 EFEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105067154 1099542620 /nfs/dbraw/zinc/54/26/20/1099542620.db2.gz PLDLNAKUQFRFBU-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535919 1099671842 /nfs/dbraw/zinc/67/18/42/1099671842.db2.gz HSHZXDMOPNUQTL-PXNSSMCTSA-N 1 3 344.503 2.917 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396173 1100561772 /nfs/dbraw/zinc/56/17/72/1100561772.db2.gz IMMWKJKGOQBNHI-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396173 1100561776 /nfs/dbraw/zinc/56/17/76/1100561776.db2.gz IMMWKJKGOQBNHI-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396763 1100593721 /nfs/dbraw/zinc/59/37/21/1100593721.db2.gz VHLPGIYSGIFCBX-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396763 1100593725 /nfs/dbraw/zinc/59/37/25/1100593725.db2.gz VHLPGIYSGIFCBX-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699121 1100678500 /nfs/dbraw/zinc/67/85/00/1100678500.db2.gz CIDHUSCBNYFMBG-XUVXKRRUSA-N 1 3 345.531 2.776 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699121 1100678503 /nfs/dbraw/zinc/67/85/03/1100678503.db2.gz CIDHUSCBNYFMBG-XUVXKRRUSA-N 1 3 345.531 2.776 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1CC ZINC001087728238 1100705846 /nfs/dbraw/zinc/70/58/46/1100705846.db2.gz LYODORYYHZPQFC-RBUKOAKNSA-N 1 3 329.488 2.559 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC ZINC001087839482 1100854150 /nfs/dbraw/zinc/85/41/50/1100854150.db2.gz DHJLFUTVCMHNDF-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC ZINC001087839482 1100854155 /nfs/dbraw/zinc/85/41/55/1100854155.db2.gz DHJLFUTVCMHNDF-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104311160 1101573139 /nfs/dbraw/zinc/57/31/39/1101573139.db2.gz VCLINRMYZITWQZ-OIISXLGYSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311160 1101573155 /nfs/dbraw/zinc/57/31/55/1101573155.db2.gz VCLINRMYZITWQZ-OIISXLGYSA-N 1 3 341.927 2.688 20 30 EFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C(F)(F)F ZINC001112181881 1101963589 /nfs/dbraw/zinc/96/35/89/1101963589.db2.gz BQNCKBMDZASFNY-RRFJBIMHSA-N 1 3 349.441 2.662 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179894 1102004787 /nfs/dbraw/zinc/00/47/87/1102004787.db2.gz UWWDRXNGASIIMJ-OAHLLOKOSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001088359235 1103185265 /nfs/dbraw/zinc/18/52/65/1103185265.db2.gz UUMSPZPTMCGQDI-INIZCTEOSA-N 1 3 341.927 2.974 20 30 EFEDHO C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447373 1104214246 /nfs/dbraw/zinc/21/42/46/1104214246.db2.gz DJVYJNDEBSEWQD-TYKWCNGQSA-N 1 3 343.515 2.709 20 30 EFEDHO C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001101551311 1104233524 /nfs/dbraw/zinc/23/35/24/1104233524.db2.gz DQMSZUDIINWNQL-UHFFFAOYSA-N 1 3 335.536 2.594 20 30 EFEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542498 1105900805 /nfs/dbraw/zinc/90/08/05/1105900805.db2.gz WSHAQEVSSFYOPU-GOSISDBHSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249166 1111220706 /nfs/dbraw/zinc/22/07/06/1111220706.db2.gz BEDVZDMOURZXHJ-QRQLOZEOSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666755 1111708840 /nfs/dbraw/zinc/70/88/40/1111708840.db2.gz TVTKBXQFYRRDJW-GUDVDZBRSA-N 1 3 335.536 2.759 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)CC(C)(C)C2)CC1 ZINC001089560767 1112309586 /nfs/dbraw/zinc/30/95/86/1112309586.db2.gz GWZKDCXEAORKGX-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)CC(C)(C)C2)CC1 ZINC001089560767 1112309590 /nfs/dbraw/zinc/30/95/90/1112309590.db2.gz GWZKDCXEAORKGX-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718052 1112935043 /nfs/dbraw/zinc/93/50/43/1112935043.db2.gz JSIHDKOXGAGOOS-GOSISDBHSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820454 1117877772 /nfs/dbraw/zinc/87/77/72/1117877772.db2.gz MRAMZYJSNPGDDG-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820454 1117877782 /nfs/dbraw/zinc/87/77/82/1117877782.db2.gz MRAMZYJSNPGDDG-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089847116 1118250004 /nfs/dbraw/zinc/25/00/04/1118250004.db2.gz RNCQWTDHQGTJND-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089847116 1118250006 /nfs/dbraw/zinc/25/00/06/1118250006.db2.gz RNCQWTDHQGTJND-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089847122 1118250046 /nfs/dbraw/zinc/25/00/46/1118250046.db2.gz RNCQWTDHQGTJND-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089847122 1118250048 /nfs/dbraw/zinc/25/00/48/1118250048.db2.gz RNCQWTDHQGTJND-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCCCC[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272699864 1118381317 /nfs/dbraw/zinc/38/13/17/1118381317.db2.gz OZQSMYLXSHTUQL-HXUWFJFHSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272699864 1118381321 /nfs/dbraw/zinc/38/13/21/1118381321.db2.gz OZQSMYLXSHTUQL-HXUWFJFHSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107028512 1119817377 /nfs/dbraw/zinc/81/73/77/1119817377.db2.gz BJUYCPKZELGUHB-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034315 1119933443 /nfs/dbraw/zinc/93/34/43/1119933443.db2.gz VDPPORLJOYVJNY-SJLPKXTDSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029126 1120520371 /nfs/dbraw/zinc/52/03/71/1120520371.db2.gz QQMDVHAQGOUGQA-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029126 1120520373 /nfs/dbraw/zinc/52/03/73/1120520373.db2.gz QQMDVHAQGOUGQA-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO N#Cc1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173945598 231077692 /nfs/dbraw/zinc/07/76/92/231077692.db2.gz PHKBJVKKDOHDBG-UHFFFAOYSA-N 1 3 343.471 2.514 20 30 EFEDHO C[C@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000069451247 215420449 /nfs/dbraw/zinc/42/04/49/215420449.db2.gz LAENBUABNKSUGE-IRXDYDNUSA-N 1 3 327.472 2.879 20 30 EFEDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857889 216317951 /nfs/dbraw/zinc/31/79/51/216317951.db2.gz DGONWCGPHNDOJR-AWEZNQCLSA-N 1 3 348.878 2.814 20 30 EFEDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857889 216317954 /nfs/dbraw/zinc/31/79/54/216317954.db2.gz DGONWCGPHNDOJR-AWEZNQCLSA-N 1 3 348.878 2.814 20 30 EFEDHO [NH2+]=C(NCC1CCN(Cc2cccs2)CC1)Nc1ccccn1 ZINC000170911513 239135935 /nfs/dbraw/zinc/13/59/35/239135935.db2.gz RMVPBXOZXPSJCB-UHFFFAOYSA-N 1 3 329.473 2.782 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000192706019 240059969 /nfs/dbraw/zinc/05/99/69/240059969.db2.gz XOWJEFJPZJQWGB-UXHICEINSA-N 1 3 326.488 2.606 20 30 EFEDHO N#C[C@H]1CCC[C@@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277269 240092226 /nfs/dbraw/zinc/09/22/26/240092226.db2.gz DAAGJEBNWNBPPJ-PWIZWCRZSA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@H]1CCC[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277269 240092229 /nfs/dbraw/zinc/09/22/29/240092229.db2.gz DAAGJEBNWNBPPJ-PWIZWCRZSA-N 1 3 327.472 2.815 20 30 EFEDHO [NH2+]=C(NC[C@H]1CCCSC1)NC1CCN(Cc2ccccc2)CC1 ZINC000262293487 240347419 /nfs/dbraw/zinc/34/74/19/240347419.db2.gz HWDRNXIZBOCDGD-QGZVFWFLSA-N 1 3 346.544 2.699 20 30 EFEDHO N#CCc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000343601515 241805393 /nfs/dbraw/zinc/80/53/93/241805393.db2.gz GRHXAHRVKSCRHX-UHFFFAOYSA-N 1 3 327.472 2.829 20 30 EFEDHO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785345 242282382 /nfs/dbraw/zinc/28/23/82/242282382.db2.gz OVUDKUNMKSEZJX-MJGOQNOKSA-N 1 3 341.499 2.518 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366718934 242362249 /nfs/dbraw/zinc/36/22/49/242362249.db2.gz DEBHNRBUNGZUCY-IBGZPJMESA-N 1 3 348.535 2.733 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366718934 242362258 /nfs/dbraw/zinc/36/22/58/242362258.db2.gz DEBHNRBUNGZUCY-IBGZPJMESA-N 1 3 348.535 2.733 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000442893946 250137670 /nfs/dbraw/zinc/13/76/70/250137670.db2.gz HCXFDERHNWPKPM-GOSISDBHSA-N 1 3 340.515 2.969 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896882 250138475 /nfs/dbraw/zinc/13/84/75/250138475.db2.gz LQCHKXDHUROJKD-FUHIMQAGSA-N 1 3 326.488 2.577 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896882 250138481 /nfs/dbraw/zinc/13/84/81/250138481.db2.gz LQCHKXDHUROJKD-FUHIMQAGSA-N 1 3 326.488 2.577 20 30 EFEDHO Cc1cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)ccc1C#N ZINC000443980696 250243833 /nfs/dbraw/zinc/24/38/33/250243833.db2.gz RUFIKDGRWXRPBH-UHFFFAOYSA-N 1 3 349.482 2.564 20 30 EFEDHO Cc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1C#N ZINC000443981829 250243912 /nfs/dbraw/zinc/24/39/12/250243912.db2.gz SIWOBUIRHTXQDI-UHFFFAOYSA-N 1 3 326.488 2.515 20 30 EFEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000268814895 252265225 /nfs/dbraw/zinc/26/52/25/252265225.db2.gz FULYOGXOWHQIOA-DOTOQJQBSA-N 1 3 338.879 2.925 20 30 EFEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424142478 296391765 /nfs/dbraw/zinc/39/17/65/296391765.db2.gz YHJQCOMXABQZTJ-VQIMIIECSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424142478 296391766 /nfs/dbraw/zinc/39/17/66/296391766.db2.gz YHJQCOMXABQZTJ-VQIMIIECSA-N 1 3 342.487 2.556 20 30 EFEDHO COc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000174277176 533674714 /nfs/dbraw/zinc/67/47/14/533674714.db2.gz PANUALPURRZJJH-UHFFFAOYSA-N 1 3 339.439 2.797 20 30 EFEDHO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000373253592 151142156 /nfs/dbraw/zinc/14/21/56/151142156.db2.gz AYFXYHBHPZRIPS-SFHVURJKSA-N 1 3 340.515 2.969 20 30 EFEDHO CN1CCCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536180 151364872 /nfs/dbraw/zinc/36/48/72/151364872.db2.gz VYPRGIYWAWJYQU-IBGZPJMESA-N 1 3 326.488 2.945 20 30 EFEDHO CN1CCCC[C@H]1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536180 151364873 /nfs/dbraw/zinc/36/48/73/151364873.db2.gz VYPRGIYWAWJYQU-IBGZPJMESA-N 1 3 326.488 2.945 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271895371 267179597 /nfs/dbraw/zinc/17/95/97/267179597.db2.gz SZTQQLUTAWQWNE-RYGJVYDSSA-N 1 3 327.472 2.977 20 30 EFEDHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1C#N ZINC000332538885 267325976 /nfs/dbraw/zinc/32/59/76/267325976.db2.gz ZMOBBNYWSRVIKJ-WOJBJXKFSA-N 1 3 327.472 2.724 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000271852928 268064755 /nfs/dbraw/zinc/06/47/55/268064755.db2.gz IYDHKADTXODADK-NHCUHLMSSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852928 268064756 /nfs/dbraw/zinc/06/47/56/268064756.db2.gz IYDHKADTXODADK-NHCUHLMSSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852928 268064757 /nfs/dbraw/zinc/06/47/57/268064757.db2.gz IYDHKADTXODADK-NHCUHLMSSA-N 1 3 338.499 2.739 20 30 EFEDHO C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCC[C@@H](C)C1 ZINC000262492942 279241039 /nfs/dbraw/zinc/24/10/39/279241039.db2.gz JOMCELUAHARSOO-INMHGKMJSA-N 1 3 330.476 2.535 20 30 EFEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343891528 290222036 /nfs/dbraw/zinc/22/20/36/290222036.db2.gz YPIQHAQZUNKZPZ-HLIPFELVSA-N 1 3 326.488 2.577 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375543963 290246059 /nfs/dbraw/zinc/24/60/59/290246059.db2.gz BYJSHJUDQDTWQS-DLBZAZTESA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000375543963 290246061 /nfs/dbraw/zinc/24/60/61/290246061.db2.gz BYJSHJUDQDTWQS-DLBZAZTESA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000375543963 290246065 /nfs/dbraw/zinc/24/60/65/290246065.db2.gz BYJSHJUDQDTWQS-DLBZAZTESA-N 1 3 326.488 2.720 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000424140736 303151556 /nfs/dbraw/zinc/15/15/56/303151556.db2.gz BQHLTMIIKQEAFN-LJQANCHMSA-N 1 3 342.487 2.700 20 30 EFEDHO COc1cc(C#N)ccc1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000077655220 472576045 /nfs/dbraw/zinc/57/60/45/472576045.db2.gz PWPHBFUMBPLRMZ-UHFFFAOYSA-N 1 3 331.460 2.609 20 30 EFEDHO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000090970967 472669733 /nfs/dbraw/zinc/66/97/33/472669733.db2.gz RTZQHOAOWDMVSZ-CXUOOODFSA-N 1 3 340.471 2.860 20 30 EFEDHO N#Cc1cccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105495571 472756358 /nfs/dbraw/zinc/75/63/58/472756358.db2.gz PNSUJBOGPWOZAL-UHFFFAOYSA-N 1 3 335.451 2.805 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000091824201 472812518 /nfs/dbraw/zinc/81/25/18/472812518.db2.gz BXJFNEZFBPEHLO-UHFFFAOYSA-N 1 3 339.483 2.609 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000106340820 472842075 /nfs/dbraw/zinc/84/20/75/472842075.db2.gz AYZSONSEUCNPOC-LJQANCHMSA-N 1 3 348.535 2.687 20 30 EFEDHO CN1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000178583578 473534537 /nfs/dbraw/zinc/53/45/37/473534537.db2.gz KYTCRJVSDXHVKG-CZUORRHYSA-N 1 3 329.473 2.953 20 30 EFEDHO C#CCN(CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000191464583 473541761 /nfs/dbraw/zinc/54/17/61/473541761.db2.gz KZJKKUNJBYLOHN-UHFFFAOYSA-N 1 3 331.479 2.677 20 30 EFEDHO COc1cccc(NC(=[NH2+])NCC2CCN(c3ccncc3)CC2)c1 ZINC000179738333 473715021 /nfs/dbraw/zinc/71/50/21/473715021.db2.gz QZCRYSGBMCUBEA-UHFFFAOYSA-N 1 3 339.443 2.733 20 30 EFEDHO Cn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049621 473786374 /nfs/dbraw/zinc/78/63/74/473786374.db2.gz MTRMISXCEUCAMV-MRXNPFEDSA-N 1 3 335.455 2.533 20 30 EFEDHO COc1ccc(CN2CCC(CNC(=[NH2+])NC3CCCC3)CC2)cc1 ZINC000264106710 473951101 /nfs/dbraw/zinc/95/11/01/473951101.db2.gz PRYGXJDNTJTZTR-UHFFFAOYSA-N 1 3 344.503 2.754 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181492790 474041110 /nfs/dbraw/zinc/04/11/10/474041110.db2.gz FBMXIIATCNACAG-GOSISDBHSA-N 1 3 344.503 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000188378903 474074817 /nfs/dbraw/zinc/07/48/17/474074817.db2.gz KCJJPTNNXYYUSN-UHFFFAOYSA-N 1 3 327.472 2.812 20 30 EFEDHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271333851 474496340 /nfs/dbraw/zinc/49/63/40/474496340.db2.gz VYOHKHGPTMLTTP-IBGZPJMESA-N 1 3 340.471 2.693 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(CC)CCC[NH+]2CCCC2)CC1 ZINC000190166038 474558134 /nfs/dbraw/zinc/55/81/34/474558134.db2.gz UBSFBQPZGJMIFN-UHFFFAOYSA-N 1 3 336.524 2.544 20 30 EFEDHO Cc1cc(C)cc(NC(=[NH2+])NCC2(N3CCCC3)CCOCC2)c1 ZINC000267378206 474666233 /nfs/dbraw/zinc/66/62/33/474666233.db2.gz AIXOAGIZZWFOQV-UHFFFAOYSA-N 1 3 330.476 2.675 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000337428298 475007638 /nfs/dbraw/zinc/00/76/38/475007638.db2.gz CUUHAEBSWLQMAH-GBESFXJTSA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000337428298 475007642 /nfs/dbraw/zinc/00/76/42/475007642.db2.gz CUUHAEBSWLQMAH-GBESFXJTSA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000337428305 475008055 /nfs/dbraw/zinc/00/80/55/475008055.db2.gz CUUHAEBSWLQMAH-IPMKNSEASA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000337428305 475008059 /nfs/dbraw/zinc/00/80/59/475008059.db2.gz CUUHAEBSWLQMAH-IPMKNSEASA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460268 475039395 /nfs/dbraw/zinc/03/93/95/475039395.db2.gz ZMMBBRTUSRWPLX-GUDVDZBRSA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460268 475039404 /nfs/dbraw/zinc/03/94/04/475039404.db2.gz ZMMBBRTUSRWPLX-GUDVDZBRSA-N 1 3 348.535 2.611 20 30 EFEDHO CC[N@@H+]1CC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326917 475233784 /nfs/dbraw/zinc/23/37/84/475233784.db2.gz XKYWBRMJUFHXLM-IEZWGBDMSA-N 1 3 344.478 2.986 20 30 EFEDHO CC[N@H+]1CC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326917 475233788 /nfs/dbraw/zinc/23/37/88/475233788.db2.gz XKYWBRMJUFHXLM-IEZWGBDMSA-N 1 3 344.478 2.986 20 30 EFEDHO CC(C)(C#N)CCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000345715885 475389646 /nfs/dbraw/zinc/38/96/46/475389646.db2.gz SMWCHCNKBZUPTI-UHFFFAOYSA-N 1 3 348.535 2.630 20 30 EFEDHO C=CCN1CCC(NC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000342688424 475627151 /nfs/dbraw/zinc/62/71/51/475627151.db2.gz AWORRAJFCRZBFH-UHFFFAOYSA-N 1 3 341.499 2.609 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000353241192 475796573 /nfs/dbraw/zinc/79/65/73/475796573.db2.gz LHRIFGACKDMRII-NJYVYQBISA-N 1 3 339.483 2.903 20 30 EFEDHO C=CCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000353577271 476095355 /nfs/dbraw/zinc/09/53/55/476095355.db2.gz SSFYCQRMYMFBGG-UHFFFAOYSA-N 1 3 348.487 2.803 20 30 EFEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224394 476518736 /nfs/dbraw/zinc/51/87/36/476518736.db2.gz NXNYPAUROOKXKD-RDJZCZTQSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224394 476518741 /nfs/dbraw/zinc/51/87/41/476518741.db2.gz NXNYPAUROOKXKD-RDJZCZTQSA-N 1 3 328.460 2.691 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415122267 476907949 /nfs/dbraw/zinc/90/79/49/476907949.db2.gz JRXARCUTZJBMTE-ICSRJNTNSA-N 1 3 330.472 2.970 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000430968157 476954545 /nfs/dbraw/zinc/95/45/45/476954545.db2.gz XGFHPGFGOXXVIF-GJZGRUSLSA-N 1 3 335.517 2.710 20 30 EFEDHO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCNC1 ZINC000423218985 476967467 /nfs/dbraw/zinc/96/74/67/476967467.db2.gz SWMJMEMSLXDMGV-QFBILLFUSA-N 1 3 326.488 2.500 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000415980678 476976381 /nfs/dbraw/zinc/97/63/81/476976381.db2.gz TYJIJYZUTSRRBI-GOSISDBHSA-N 1 3 330.476 2.965 20 30 EFEDHO C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411419619 477228188 /nfs/dbraw/zinc/22/81/88/477228188.db2.gz TXOMTHLJZSPHGP-MOPGFXCFSA-N 1 3 332.536 2.808 20 30 EFEDHO C[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000411419625 477230067 /nfs/dbraw/zinc/23/00/67/477230067.db2.gz TXOMTHLJZSPHGP-RBUKOAKNSA-N 1 3 332.536 2.808 20 30 EFEDHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424126020 477299249 /nfs/dbraw/zinc/29/92/49/477299249.db2.gz BAQXXDHXANEBHS-MAUKXSAKSA-N 1 3 328.460 2.878 20 30 EFEDHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424126020 477299254 /nfs/dbraw/zinc/29/92/54/477299254.db2.gz BAQXXDHXANEBHS-MAUKXSAKSA-N 1 3 328.460 2.878 20 30 EFEDHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)CC1 ZINC000424134325 477302651 /nfs/dbraw/zinc/30/26/51/477302651.db2.gz NJHCDSCAURDTHJ-IBGZPJMESA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)CCCC#N)CCCC1)c1ccccc1 ZINC000424149882 477310358 /nfs/dbraw/zinc/31/03/58/477310358.db2.gz XSTIHVGSVOLMBC-WMZOPIPTSA-N 1 3 342.487 2.787 20 30 EFEDHO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000435743471 477362634 /nfs/dbraw/zinc/36/26/34/477362634.db2.gz ACTRAJNZECJEIJ-FPOVZHCZSA-N 1 3 343.515 2.899 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417539747 477456025 /nfs/dbraw/zinc/45/60/25/477456025.db2.gz ONAHZBXMPIGXIL-IEBWSBKVSA-N 1 3 348.535 2.591 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417519770 477456471 /nfs/dbraw/zinc/45/64/71/477456471.db2.gz AVUVOBZFQOEVAL-IBGZPJMESA-N 1 3 344.503 2.759 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594453945 478397024 /nfs/dbraw/zinc/39/70/24/478397024.db2.gz PNSYGPKVESZYOF-IEBWSBKVSA-N 1 3 348.535 2.901 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594453945 478397027 /nfs/dbraw/zinc/39/70/27/478397027.db2.gz PNSYGPKVESZYOF-IEBWSBKVSA-N 1 3 348.535 2.901 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594453946 478397362 /nfs/dbraw/zinc/39/73/62/478397362.db2.gz PNSYGPKVESZYOF-MJGOQNOKSA-N 1 3 348.535 2.901 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594453946 478397367 /nfs/dbraw/zinc/39/73/67/478397367.db2.gz PNSYGPKVESZYOF-MJGOQNOKSA-N 1 3 348.535 2.901 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594453941 478397390 /nfs/dbraw/zinc/39/73/90/478397390.db2.gz PNSYGPKVESZYOF-HKUYNNGSSA-N 1 3 348.535 2.901 20 30 EFEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594453941 478397397 /nfs/dbraw/zinc/39/73/97/478397397.db2.gz PNSYGPKVESZYOF-HKUYNNGSSA-N 1 3 348.535 2.901 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000563205449 478480412 /nfs/dbraw/zinc/48/04/12/478480412.db2.gz GFIIWLJYKCJVSO-AEFFLSMTSA-N 1 3 334.508 2.511 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000563205449 478480417 /nfs/dbraw/zinc/48/04/17/478480417.db2.gz GFIIWLJYKCJVSO-AEFFLSMTSA-N 1 3 334.508 2.511 20 30 EFEDHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570792 478583817 /nfs/dbraw/zinc/58/38/17/478583817.db2.gz OHEWISPXKMEPJU-QFBILLFUSA-N 1 3 341.503 2.822 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000591582323 478587530 /nfs/dbraw/zinc/58/75/30/478587530.db2.gz HXPVBXSXOLJBCN-HXUWFJFHSA-N 1 3 338.499 2.787 20 30 EFEDHO C#CCN(C)CCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000491777834 478673957 /nfs/dbraw/zinc/67/39/57/478673957.db2.gz IDLRRLNFGSHNQQ-IBGZPJMESA-N 1 3 327.516 2.627 20 30 EFEDHO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCCN1 ZINC000564825907 478822593 /nfs/dbraw/zinc/82/25/93/478822593.db2.gz QFSDDDAHFFNKJX-HFTRVMKXSA-N 1 3 330.451 2.786 20 30 EFEDHO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCCN1 ZINC000564825908 478823273 /nfs/dbraw/zinc/82/32/73/478823273.db2.gz QFSDDDAHFFNKJX-KYJSFNMBSA-N 1 3 330.451 2.786 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560842 478895016 /nfs/dbraw/zinc/89/50/16/478895016.db2.gz NZOFQMABOOLGBJ-UXHICEINSA-N 1 3 339.483 2.997 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560842 478895023 /nfs/dbraw/zinc/89/50/23/478895023.db2.gz NZOFQMABOOLGBJ-UXHICEINSA-N 1 3 339.483 2.997 20 30 EFEDHO CC(C)(C#N)C[C@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000598718493 478990094 /nfs/dbraw/zinc/99/00/94/478990094.db2.gz BRLNWDZUTYKDNP-INIZCTEOSA-N 1 3 335.517 2.850 20 30 EFEDHO CN1CCC(Oc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598727515 478992562 /nfs/dbraw/zinc/99/25/62/478992562.db2.gz JCEROTYNCZWZIW-QGZVFWFLSA-N 1 3 345.487 2.550 20 30 EFEDHO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000584166906 479037176 /nfs/dbraw/zinc/03/71/76/479037176.db2.gz PGVPSEHRDZWCQY-BHYGNILZSA-N 1 3 330.451 2.644 20 30 EFEDHO CN1CCCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000598994838 479119591 /nfs/dbraw/zinc/11/95/91/479119591.db2.gz UDFAERSAJNYQJG-GOSISDBHSA-N 1 3 326.488 2.849 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000593324706 479296783 /nfs/dbraw/zinc/29/67/83/479296783.db2.gz YSIKPKZGYVTGPF-PMACEKPBSA-N 1 3 326.488 2.772 20 30 EFEDHO N#Cc1cccc(CN2CCC(N[C@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000593324706 479296792 /nfs/dbraw/zinc/29/67/92/479296792.db2.gz YSIKPKZGYVTGPF-PMACEKPBSA-N 1 3 326.488 2.772 20 30 EFEDHO C[C@H](CCC#N)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000602468159 479348517 /nfs/dbraw/zinc/34/85/17/479348517.db2.gz JSLQRVOHABFUQS-GOSISDBHSA-N 1 3 344.503 2.689 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592007 479413422 /nfs/dbraw/zinc/41/34/22/479413422.db2.gz GHVJVJZOZSNXFI-RBUKOAKNSA-N 1 3 342.487 2.569 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592007 479413428 /nfs/dbraw/zinc/41/34/28/479413428.db2.gz GHVJVJZOZSNXFI-RBUKOAKNSA-N 1 3 342.487 2.569 20 30 EFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000615094049 479598777 /nfs/dbraw/zinc/59/87/77/479598777.db2.gz XTDPRNSQAOJVQO-QGLXBCBXSA-N 1 3 340.471 2.860 20 30 EFEDHO N#Cc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000579129178 479665501 /nfs/dbraw/zinc/66/55/01/479665501.db2.gz REFDFAQJODIDQQ-UHFFFAOYSA-N 1 3 334.467 2.641 20 30 EFEDHO C=CCN1CCC(NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668369370 482102599 /nfs/dbraw/zinc/10/25/99/482102599.db2.gz WEPSEZUYUHXBRX-FQEVSTJZSA-N 1 3 341.499 2.633 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000171708017 526433401 /nfs/dbraw/zinc/43/34/01/526433401.db2.gz QYVPDKPIACOZQR-SFHVURJKSA-N 1 3 338.540 2.693 20 30 EFEDHO CCN(CC)C(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000104180852 527981232 /nfs/dbraw/zinc/98/12/32/527981232.db2.gz VIYHVQOCMLVOPK-UHFFFAOYSA-N 1 3 332.492 2.564 20 30 EFEDHO CC[NH+](CC)CCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000191382445 528103556 /nfs/dbraw/zinc/10/35/56/528103556.db2.gz DUHATPMSXACCFV-UHFFFAOYSA-N 1 3 328.504 2.798 20 30 EFEDHO CC[NH+]1CCN(Cc2ccc(CNCc3ccc(C#N)o3)cc2)CC1 ZINC000174274964 529148909 /nfs/dbraw/zinc/14/89/09/529148909.db2.gz PSLKAJOJUCTDCC-UHFFFAOYSA-N 1 3 338.455 2.579 20 30 EFEDHO CN1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000247005116 536382347 /nfs/dbraw/zinc/38/23/47/536382347.db2.gz KYTCRJVSDXHVKG-CJNGLKHVSA-N 1 3 329.473 2.953 20 30 EFEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000658033247 547339537 /nfs/dbraw/zinc/33/95/37/547339537.db2.gz CVJBNYOSIQSEKX-MOPGFXCFSA-N 1 3 335.536 2.508 20 30 EFEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769515487 577369106 /nfs/dbraw/zinc/36/91/06/577369106.db2.gz QYMKHGPUNJKCCZ-PXNSSMCTSA-N 1 3 345.487 2.910 20 30 EFEDHO C=C(C)CN1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000771830405 581248576 /nfs/dbraw/zinc/24/85/76/581248576.db2.gz QNNYFNCLVLABID-UHFFFAOYSA-N 1 3 342.531 2.569 20 30 EFEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001754375365 1248955755 /nfs/dbraw/zinc/95/57/55/1248955755.db2.gz AAFQVTNVXONGLD-MRXNPFEDSA-N 1 3 327.900 2.584 20 30 EFEDHO C=C(Cl)CNCCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001754375365 1248955765 /nfs/dbraw/zinc/95/57/65/1248955765.db2.gz AAFQVTNVXONGLD-MRXNPFEDSA-N 1 3 327.900 2.584 20 30 EFEDHO C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098820235 1255815377 /nfs/dbraw/zinc/81/53/77/1255815377.db2.gz HBPKKRDGEUCTJG-AZUAARDMSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436633 1255815650 /nfs/dbraw/zinc/81/56/50/1255815650.db2.gz HODDAWSVQSBIJQ-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436633 1255815663 /nfs/dbraw/zinc/81/56/63/1255815663.db2.gz HODDAWSVQSBIJQ-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552649 1256118722 /nfs/dbraw/zinc/11/87/22/1256118722.db2.gz PYLGHYSNXQLPGX-YLJYHZDGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552649 1256118723 /nfs/dbraw/zinc/11/87/23/1256118723.db2.gz PYLGHYSNXQLPGX-YLJYHZDGSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566597 1256155048 /nfs/dbraw/zinc/15/50/48/1256155048.db2.gz BQJXSEVWNGNLJV-QKNQBKEWSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566597 1256155051 /nfs/dbraw/zinc/15/50/51/1256155051.db2.gz BQJXSEVWNGNLJV-QKNQBKEWSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997871820 1258557057 /nfs/dbraw/zinc/55/70/57/1258557057.db2.gz PFRTUYKVMBPWNP-KRWDZBQOSA-N 1 3 341.499 2.602 20 30 EFEDHO C=C(C)CC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004201046 1266207299 /nfs/dbraw/zinc/20/72/99/1266207299.db2.gz IGXYYSHIRBLCOD-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998165578 1259181658 /nfs/dbraw/zinc/18/16/58/1259181658.db2.gz MTXJPGGUMZSROC-HXUWFJFHSA-N 1 3 347.547 2.833 20 30 EFEDHO CC#CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001670976965 1259260659 /nfs/dbraw/zinc/26/06/59/1259260659.db2.gz LNEQENJCXVJTPP-IBGZPJMESA-N 1 3 335.536 2.737 20 30 EFEDHO CC#CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CCCCCC1 ZINC001670976965 1259260664 /nfs/dbraw/zinc/26/06/64/1259260664.db2.gz LNEQENJCXVJTPP-IBGZPJMESA-N 1 3 335.536 2.737 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999168092 1260290055 /nfs/dbraw/zinc/29/00/55/1260290055.db2.gz GEFHHOGYIQKGAW-UHFFFAOYSA-N 1 3 349.906 2.736 20 30 EFEDHO C=CCN1c2ccccc2[C@@]2(CCN(CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870460 1261196961 /nfs/dbraw/zinc/19/69/61/1261196961.db2.gz PQDWXAJENHLUQL-NRFANRHFSA-N 1 3 341.499 2.751 20 30 EFEDHO CC[NH+](CC)[C@@H](C(=O)NCCCNCc1ccccc1C#N)C(C)C ZINC001168667855 1261395668 /nfs/dbraw/zinc/39/56/68/1261395668.db2.gz ZWACGCVCXNJHPI-LJQANCHMSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699981 1262178770 /nfs/dbraw/zinc/17/87/70/1262178770.db2.gz DYMMZHVVAIJOQH-LSDHHAIUSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001486201160 1262784706 /nfs/dbraw/zinc/78/47/06/1262784706.db2.gz QYLCKQAIALBNRZ-CVEARBPZSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084545099 1264013784 /nfs/dbraw/zinc/01/37/84/1264013784.db2.gz WUVGKEGIZJBAII-UYAOXDASSA-N 1 3 341.499 2.513 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700807 1264246005 /nfs/dbraw/zinc/24/60/05/1264246005.db2.gz BBJGEHHAWWFDNZ-IPMKNSEASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700807 1264246011 /nfs/dbraw/zinc/24/60/11/1264246011.db2.gz BBJGEHHAWWFDNZ-IPMKNSEASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083106 1266451208 /nfs/dbraw/zinc/45/12/08/1266451208.db2.gz XKTQBSCLZJWDKO-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083106 1266451209 /nfs/dbraw/zinc/45/12/09/1266451209.db2.gz XKTQBSCLZJWDKO-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001085332327 1267180350 /nfs/dbraw/zinc/18/03/50/1267180350.db2.gz SXBXIIIMRMQZNQ-GPMSIDNRSA-N 1 3 339.499 2.792 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547655 1267270032 /nfs/dbraw/zinc/27/00/32/1267270032.db2.gz PBFIPEROJNYEGY-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547655 1267270041 /nfs/dbraw/zinc/27/00/41/1267270041.db2.gz PBFIPEROJNYEGY-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547662 1267271715 /nfs/dbraw/zinc/27/17/15/1267271715.db2.gz PBFIPEROJNYEGY-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547662 1267271724 /nfs/dbraw/zinc/27/17/24/1267271724.db2.gz PBFIPEROJNYEGY-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539895 1267280240 /nfs/dbraw/zinc/28/02/40/1267280240.db2.gz IIAMPKKZBMCNRL-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539895 1267280252 /nfs/dbraw/zinc/28/02/52/1267280252.db2.gz IIAMPKKZBMCNRL-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004540098 1267282296 /nfs/dbraw/zinc/28/22/96/1267282296.db2.gz BIWVFOKBEFBWKA-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004540098 1267282305 /nfs/dbraw/zinc/28/23/05/1267282305.db2.gz BIWVFOKBEFBWKA-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004540095 1267282500 /nfs/dbraw/zinc/28/25/00/1267282500.db2.gz BIWVFOKBEFBWKA-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004540095 1267282514 /nfs/dbraw/zinc/28/25/14/1267282514.db2.gz BIWVFOKBEFBWKA-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586942 1267344961 /nfs/dbraw/zinc/34/49/61/1267344961.db2.gz WKMRIWFFCPVRQF-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586942 1267344970 /nfs/dbraw/zinc/34/49/70/1267344970.db2.gz WKMRIWFFCPVRQF-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004619893 1267414403 /nfs/dbraw/zinc/41/44/03/1267414403.db2.gz NGSGTGRUVWQKOC-VQTJNVASSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004619893 1267414406 /nfs/dbraw/zinc/41/44/06/1267414406.db2.gz NGSGTGRUVWQKOC-VQTJNVASSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984608 1269410215 /nfs/dbraw/zinc/41/02/15/1269410215.db2.gz IQUNHMJQPKCBTP-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984608 1269410219 /nfs/dbraw/zinc/41/02/19/1269410219.db2.gz IQUNHMJQPKCBTP-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033685100 1269795062 /nfs/dbraw/zinc/79/50/62/1269795062.db2.gz KQKQYJOUKGZCGU-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033685100 1269795071 /nfs/dbraw/zinc/79/50/71/1269795071.db2.gz KQKQYJOUKGZCGU-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086199921 1270447497 /nfs/dbraw/zinc/44/74/97/1270447497.db2.gz ZGWWZUDWKCJXIB-MAEOIBBWSA-N 1 3 349.906 2.641 20 30 EFEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210129 1271363103 /nfs/dbraw/zinc/36/31/03/1271363103.db2.gz FTGBHQRSBJSJRF-ROUUACIJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210129 1271363115 /nfs/dbraw/zinc/36/31/15/1271363115.db2.gz FTGBHQRSBJSJRF-ROUUACIJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250432 1271425798 /nfs/dbraw/zinc/42/57/98/1271425798.db2.gz QHCVPMRUPHQETK-IEBWSBKVSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250432 1271425805 /nfs/dbraw/zinc/42/58/05/1271425805.db2.gz QHCVPMRUPHQETK-IEBWSBKVSA-N 1 3 333.520 2.940 20 30 EFEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034366645 1271787331 /nfs/dbraw/zinc/78/73/31/1271787331.db2.gz BZKVCJGBRKOVEN-QUCCMNQESA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034366645 1271787336 /nfs/dbraw/zinc/78/73/36/1271787336.db2.gz BZKVCJGBRKOVEN-QUCCMNQESA-N 1 3 345.531 2.778 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536960 1272237119 /nfs/dbraw/zinc/23/71/19/1272237119.db2.gz IXSGSKOMVUAQAL-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536960 1272237108 /nfs/dbraw/zinc/23/71/08/1272237108.db2.gz IXSGSKOMVUAQAL-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139418 1272697796 /nfs/dbraw/zinc/69/77/96/1272697796.db2.gz MNRLUHXBAOPFFY-CENDIDJXSA-N 1 3 334.504 2.685 20 30 EFEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139418 1272697808 /nfs/dbraw/zinc/69/78/08/1272697808.db2.gz MNRLUHXBAOPFFY-CENDIDJXSA-N 1 3 334.504 2.685 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001034796530 1272989704 /nfs/dbraw/zinc/98/97/04/1272989704.db2.gz IEWZKYKSTDMMLI-BZUAXINKSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035226398 1273847059 /nfs/dbraw/zinc/84/70/59/1273847059.db2.gz HVBHFGYIHITNLE-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035226398 1273847065 /nfs/dbraw/zinc/84/70/65/1273847065.db2.gz HVBHFGYIHITNLE-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)CC2 ZINC001035837792 1274575227 /nfs/dbraw/zinc/57/52/27/1274575227.db2.gz MXLKIXLAJJEAKP-LJQANCHMSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837792 1274575230 /nfs/dbraw/zinc/57/52/30/1274575230.db2.gz MXLKIXLAJJEAKP-LJQANCHMSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001109797010 1274652233 /nfs/dbraw/zinc/65/22/33/1274652233.db2.gz PSZRMXKAYRUFIL-RDGPPVDQSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001109797010 1274652243 /nfs/dbraw/zinc/65/22/43/1274652243.db2.gz PSZRMXKAYRUFIL-RDGPPVDQSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001109797011 1274652656 /nfs/dbraw/zinc/65/26/56/1274652656.db2.gz PSZRMXKAYRUFIL-YRXWBPOGSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001109797011 1274652665 /nfs/dbraw/zinc/65/26/65/1274652665.db2.gz PSZRMXKAYRUFIL-YRXWBPOGSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112585914 1275309782 /nfs/dbraw/zinc/30/97/82/1275309782.db2.gz YTRITQGVXSQFHW-NSHGMRRFSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001086819955 1276502171 /nfs/dbraw/zinc/50/21/71/1276502171.db2.gz INRROSIAJIJJNJ-BBWFWOEESA-N 1 3 341.927 2.876 20 30 EFEDHO Cc1ccc(N[C@H](N)CCC[NH3+])cc1NC(=O)c1cccc(C#N)c1 ZINC001170900239 1276505946 /nfs/dbraw/zinc/50/59/46/1276505946.db2.gz QQOOLPYPFZPNPA-SFHVURJKSA-N 1 3 337.427 2.555 20 30 EFEDHO Cc1ccc(N[C@@H](N)CCC[NH3+])cc1NC(=O)c1cccc(C#N)c1 ZINC001170900237 1276506508 /nfs/dbraw/zinc/50/65/08/1276506508.db2.gz QQOOLPYPFZPNPA-GOSISDBHSA-N 1 3 337.427 2.555 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000791299721 1278020179 /nfs/dbraw/zinc/02/01/79/1278020179.db2.gz SOJZRLOEGCAUFD-MRXNPFEDSA-N 1 3 335.517 2.755 20 30 EFEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001171194415 1279740801 /nfs/dbraw/zinc/74/08/01/1279740801.db2.gz JIJBCZIDUAKJBD-KRWDZBQOSA-N 1 3 341.499 2.970 20 30 EFEDHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001175314966 1287398565 /nfs/dbraw/zinc/39/85/65/1287398565.db2.gz DAWGZDOROIZGCW-APWZRJJASA-N 1 3 344.503 2.663 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203249702 1280839056 /nfs/dbraw/zinc/83/90/56/1280839056.db2.gz NZYNKGVGJXRIRU-IAGOWNOFSA-N 1 3 333.520 2.844 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610138 1280951379 /nfs/dbraw/zinc/95/13/79/1280951379.db2.gz HTMXLDDYMIINLP-ROUUACIJSA-N 1 3 335.536 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613697 1280952991 /nfs/dbraw/zinc/95/29/91/1280952991.db2.gz UPBNRSHUSXSBPB-ROUUACIJSA-N 1 3 347.547 2.785 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146624969 1280957029 /nfs/dbraw/zinc/95/70/29/1280957029.db2.gz SPIOBWJKABEIIO-LSDHHAIUSA-N 1 3 337.895 2.987 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146624967 1280957112 /nfs/dbraw/zinc/95/71/12/1280957112.db2.gz SPIOBWJKABEIIO-GJZGRUSLSA-N 1 3 337.895 2.987 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226976 1281463048 /nfs/dbraw/zinc/46/30/48/1281463048.db2.gz ZUBAGBFWYVQGIR-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226976 1281463056 /nfs/dbraw/zinc/46/30/56/1281463056.db2.gz ZUBAGBFWYVQGIR-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148285091 1281494813 /nfs/dbraw/zinc/49/48/13/1281494813.db2.gz MEOOVSQSJBNTBL-SFHVURJKSA-N 1 3 335.536 2.833 20 30 EFEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148285091 1281494816 /nfs/dbraw/zinc/49/48/16/1281494816.db2.gz MEOOVSQSJBNTBL-SFHVURJKSA-N 1 3 335.536 2.833 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921486 1281932414 /nfs/dbraw/zinc/93/24/14/1281932414.db2.gz QQSUHXNFVDKWCQ-RBUKOAKNSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921486 1281932425 /nfs/dbraw/zinc/93/24/25/1281932425.db2.gz QQSUHXNFVDKWCQ-RBUKOAKNSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927303 1281949678 /nfs/dbraw/zinc/94/96/78/1281949678.db2.gz YJWNCFNDJYSBPT-QGZVFWFLSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941170 1281968468 /nfs/dbraw/zinc/96/84/68/1281968468.db2.gz LGNDCZNCPTZSKM-SFHVURJKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942159 1281971490 /nfs/dbraw/zinc/97/14/90/1281971490.db2.gz KIIKALBKWJOMSO-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942390 1281971654 /nfs/dbraw/zinc/97/16/54/1281971654.db2.gz PQUBENDNOBEBQI-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942107 1281972013 /nfs/dbraw/zinc/97/20/13/1281972013.db2.gz JBDXLBAVVYKYJG-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093121165 1283263067 /nfs/dbraw/zinc/26/30/67/1283263067.db2.gz YPUVNFIHZYNHIY-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093121165 1283263071 /nfs/dbraw/zinc/26/30/71/1283263071.db2.gz YPUVNFIHZYNHIY-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222910 1283512128 /nfs/dbraw/zinc/51/21/28/1283512128.db2.gz SDMUWGVUJHALBK-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222910 1283512135 /nfs/dbraw/zinc/51/21/35/1283512135.db2.gz SDMUWGVUJHALBK-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC/C=C/CC)C2)CC1 ZINC001132518645 1283779702 /nfs/dbraw/zinc/77/97/02/1283779702.db2.gz MBUNGTBRALHSIV-YKMDAGRBSA-N 1 3 345.531 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC/C=C/CC)C2)CC1 ZINC001132518645 1283779713 /nfs/dbraw/zinc/77/97/13/1283779713.db2.gz MBUNGTBRALHSIV-YKMDAGRBSA-N 1 3 345.531 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518636 1283779949 /nfs/dbraw/zinc/77/99/49/1283779949.db2.gz LZVJSNCXMUFHNJ-QUCCMNQESA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518636 1283779955 /nfs/dbraw/zinc/77/99/55/1283779955.db2.gz LZVJSNCXMUFHNJ-QUCCMNQESA-N 1 3 347.547 2.737 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371196 1283807066 /nfs/dbraw/zinc/80/70/66/1283807066.db2.gz LUUGOMDEGHQJFQ-RBUKOAKNSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371196 1283807073 /nfs/dbraw/zinc/80/70/73/1283807073.db2.gz LUUGOMDEGHQJFQ-RBUKOAKNSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132823661 1284333924 /nfs/dbraw/zinc/33/39/24/1284333924.db2.gz KBSDKZONBXTBBL-MSOLQXFVSA-N 1 3 335.536 2.901 20 30 EFEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133185669 1284951713 /nfs/dbraw/zinc/95/17/13/1284951713.db2.gz HBFQPCBMEPYFDZ-RBUKOAKNSA-N 1 3 335.536 2.596 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194473 1284971608 /nfs/dbraw/zinc/97/16/08/1284971608.db2.gz GJYCGWDQKJVBDF-MOPGFXCFSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194937 1284972592 /nfs/dbraw/zinc/97/25/92/1284972592.db2.gz NEMNJMLTFCMRQO-WBVHZDCISA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094429883 1285072675 /nfs/dbraw/zinc/07/26/75/1285072675.db2.gz AAPQGCQWXZWPNI-NLWGTHIKSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094429883 1285072681 /nfs/dbraw/zinc/07/26/81/1285072681.db2.gz AAPQGCQWXZWPNI-NLWGTHIKSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430201 1285073241 /nfs/dbraw/zinc/07/32/41/1285073241.db2.gz HKJTUKPPXLOKNE-NLWGTHIKSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430201 1285073251 /nfs/dbraw/zinc/07/32/51/1285073251.db2.gz HKJTUKPPXLOKNE-NLWGTHIKSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133341617 1285221189 /nfs/dbraw/zinc/22/11/89/1285221189.db2.gz JIBMSRYRGOZCJB-AEFFLSMTSA-N 1 3 329.488 2.622 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529202 1285257597 /nfs/dbraw/zinc/25/75/97/1285257597.db2.gz LIGWEPSWRQNISB-SFHLNBCPSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529202 1285257603 /nfs/dbraw/zinc/25/76/03/1285257603.db2.gz LIGWEPSWRQNISB-SFHLNBCPSA-N 1 3 345.531 2.633 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C1CC1)N(C)C ZINC001133398380 1285316711 /nfs/dbraw/zinc/31/67/11/1285316711.db2.gz SUEYVIWDLFEICG-SFHVURJKSA-N 1 3 349.906 2.784 20 30 EFEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CCC ZINC001133410359 1285369477 /nfs/dbraw/zinc/36/94/77/1285369477.db2.gz AXFWOYNNBPNTMM-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CCC ZINC001133410359 1285369485 /nfs/dbraw/zinc/36/94/85/1285369485.db2.gz AXFWOYNNBPNTMM-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)CCC ZINC001133410531 1285371727 /nfs/dbraw/zinc/37/17/27/1285371727.db2.gz LQZMLPOHRMXYNZ-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161477 1285500888 /nfs/dbraw/zinc/50/08/88/1285500888.db2.gz GVTRSEUASRHHPE-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161477 1285500892 /nfs/dbraw/zinc/50/08/92/1285500892.db2.gz GVTRSEUASRHHPE-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001171498925 1285584232 /nfs/dbraw/zinc/58/42/32/1285584232.db2.gz DAWGZDOROIZGCW-QFBILLFUSA-N 1 3 344.503 2.663 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000813752723 1286090082 /nfs/dbraw/zinc/09/00/82/1286090082.db2.gz MDEXXJRVIKUOQR-LJQANCHMSA-N 1 3 331.504 2.722 20 30 EFEDHO CC[NH+](CC)CCCN1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172320616 1286098785 /nfs/dbraw/zinc/09/87/85/1286098785.db2.gz XBSSWXRNNGWWAS-LJQANCHMSA-N 1 3 342.531 2.839 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095061398 1286471370 /nfs/dbraw/zinc/47/13/70/1286471370.db2.gz VQBPKJXLEGIXAB-IHPCNDPISA-N 1 3 341.499 2.907 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774256 1287171055 /nfs/dbraw/zinc/17/10/55/1287171055.db2.gz WWPJSWQRVWOBFT-HOTGVXAUSA-N 1 3 344.503 2.661 20 30 EFEDHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134773997 1287171812 /nfs/dbraw/zinc/17/18/12/1287171812.db2.gz TZOYBOVPDAKKBB-CVEARBPZSA-N 1 3 344.503 2.661 20 30 EFEDHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134773997 1287171815 /nfs/dbraw/zinc/17/18/15/1287171815.db2.gz TZOYBOVPDAKKBB-CVEARBPZSA-N 1 3 344.503 2.661 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728392 1312671061 /nfs/dbraw/zinc/67/10/61/1312671061.db2.gz QRMVMVQSQJXSLX-CVEARBPZSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728392 1312671065 /nfs/dbraw/zinc/67/10/65/1312671065.db2.gz QRMVMVQSQJXSLX-CVEARBPZSA-N 1 3 339.911 2.632 20 30 EFEDHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176279664 1287921144 /nfs/dbraw/zinc/92/11/44/1287921144.db2.gz PDYLHDMPQNBSAM-IBGZPJMESA-N 1 3 343.515 2.645 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C\CC)CC1 ZINC001176737061 1288087311 /nfs/dbraw/zinc/08/73/11/1288087311.db2.gz GMBYKEAEKLQFDK-RURPWVQCSA-N 1 3 347.547 2.953 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC/C=C/CC)CC1 ZINC001176737060 1288088178 /nfs/dbraw/zinc/08/81/78/1288088178.db2.gz GMBYKEAEKLQFDK-OVKVCFKUSA-N 1 3 347.547 2.953 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001177378617 1288408336 /nfs/dbraw/zinc/40/83/36/1288408336.db2.gz GIMVBNOGTVMHQA-UHFFFAOYSA-N 1 3 347.547 2.883 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CC(C)(C)C ZINC001177416103 1288424261 /nfs/dbraw/zinc/42/42/61/1288424261.db2.gz UMIFJTDTDUZCTE-UHFFFAOYSA-N 1 3 349.563 2.986 20 30 EFEDHO C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431270 1288437400 /nfs/dbraw/zinc/43/74/00/1288437400.db2.gz QPPZXGWBWSUCCY-UHFFFAOYSA-N 1 3 332.492 2.917 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001177484585 1288445654 /nfs/dbraw/zinc/44/56/54/1288445654.db2.gz GPUBFYKKGMTEFT-KDURUIRLSA-N 1 3 347.547 2.881 20 30 EFEDHO C=C(Br)C[NH2+]CCCCCCNC(=O)[C@H](CC)N(C)C ZINC001179609551 1289197904 /nfs/dbraw/zinc/19/79/04/1289197904.db2.gz VWQKNGUXLCHBHD-AWEZNQCLSA-N 1 3 348.329 2.501 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)CN(CC)CC ZINC001171061067 1289735431 /nfs/dbraw/zinc/73/54/31/1289735431.db2.gz QCEXPQNOJIUHDK-CABCVRRESA-N 1 3 335.895 2.683 20 30 EFEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2CCC)C[C@H]1C ZINC001181671010 1289896041 /nfs/dbraw/zinc/89/60/41/1289896041.db2.gz HFXQFZUDYRXKQN-QWFCFKBJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2CCC)C[C@H]1C ZINC001181671011 1289896409 /nfs/dbraw/zinc/89/64/09/1289896409.db2.gz HFXQFZUDYRXKQN-WSTZPKSXSA-N 1 3 335.536 2.901 20 30 EFEDHO Cn1cc(CN2CC[C@@]3(C2)CCCN(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695411 1312752760 /nfs/dbraw/zinc/75/27/60/1312752760.db2.gz YTMOQTFLLXQNEL-HXUWFJFHSA-N 1 3 335.455 2.784 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623338 1290225827 /nfs/dbraw/zinc/22/58/27/1290225827.db2.gz IRVFKAYCVSQNJC-YLJYHZDGSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171196 1290608750 /nfs/dbraw/zinc/60/87/50/1290608750.db2.gz URRUGMYBWVEPTA-ZBFHGGJFSA-N 1 3 343.943 2.791 20 30 EFEDHO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687792 1312820324 /nfs/dbraw/zinc/82/03/24/1312820324.db2.gz ZXKQSTPGDWHWSO-YJBOKZPZSA-N 1 3 327.488 2.650 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776472 1291019196 /nfs/dbraw/zinc/01/91/96/1291019196.db2.gz NXHCDPDIJLCZQU-ROUUACIJSA-N 1 3 349.906 2.827 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776472 1291019202 /nfs/dbraw/zinc/01/92/02/1291019202.db2.gz NXHCDPDIJLCZQU-ROUUACIJSA-N 1 3 349.906 2.827 20 30 EFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188086046 1291310032 /nfs/dbraw/zinc/31/00/32/1291310032.db2.gz WVDRIXVQJFODGN-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560416 1291766193 /nfs/dbraw/zinc/76/61/93/1291766193.db2.gz ZLKBTYNOTOJMCO-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605500 1291859503 /nfs/dbraw/zinc/85/95/03/1291859503.db2.gz GEOCWATUIKCWLN-LJQANCHMSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770235 1313010332 /nfs/dbraw/zinc/01/03/32/1313010332.db2.gz FKGBMCXROMYWNX-CVEARBPZSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770236 1313010671 /nfs/dbraw/zinc/01/06/71/1313010671.db2.gz FKGBMCXROMYWNX-HOTGVXAUSA-N 1 3 339.911 2.632 20 30 EFEDHO C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001203771807 1313011840 /nfs/dbraw/zinc/01/18/40/1313011840.db2.gz PAXZYIFJLTZBRO-RTBURBONSA-N 1 3 341.499 2.955 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016861007 1313015591 /nfs/dbraw/zinc/01/55/91/1313015591.db2.gz MJFPZOJOMWMCJN-MSOLQXFVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196026114 1294110459 /nfs/dbraw/zinc/11/04/59/1294110459.db2.gz ZKTXPBOWCSXNRZ-DLBZAZTESA-N 1 3 327.488 2.555 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196026114 1294110463 /nfs/dbraw/zinc/11/04/63/1294110463.db2.gz ZKTXPBOWCSXNRZ-DLBZAZTESA-N 1 3 327.488 2.555 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982311 1313070601 /nfs/dbraw/zinc/07/06/01/1313070601.db2.gz FZHSECBHXYPTJR-SFHVURJKSA-N 1 3 327.472 2.519 20 30 EFEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610671 1313085264 /nfs/dbraw/zinc/08/52/64/1313085264.db2.gz AUKDXGFDLTZXQQ-PMACEKPBSA-N 1 3 341.499 2.656 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCSc1ccc(F)cc1 ZINC000303774835 1294578815 /nfs/dbraw/zinc/57/88/15/1294578815.db2.gz GEYINKOFWJWNEP-HNNXBMFYSA-N 1 3 338.496 2.697 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610674 1313085687 /nfs/dbraw/zinc/08/56/87/1313085687.db2.gz AUKDXGFDLTZXQQ-VQTJNVASSA-N 1 3 341.499 2.656 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccc(C)cc1 ZINC000303879696 1294594999 /nfs/dbraw/zinc/59/49/99/1294594999.db2.gz GTCDGAXCUAFSAM-QGZVFWFLSA-N 1 3 332.492 2.543 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCC1 ZINC000303970406 1294612322 /nfs/dbraw/zinc/61/23/22/1294612322.db2.gz CONIPEOESKTNHG-KRWDZBQOSA-N 1 3 332.467 2.636 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615561 1313089614 /nfs/dbraw/zinc/08/96/14/1313089614.db2.gz LKZSVLCILFZCQK-AQNXPRMDSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615561 1313089618 /nfs/dbraw/zinc/08/96/18/1313089618.db2.gz LKZSVLCILFZCQK-AQNXPRMDSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCCN[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198774739 1295245333 /nfs/dbraw/zinc/24/53/33/1295245333.db2.gz ADUOVIBGQDSLPB-QGZVFWFLSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCCN[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198774739 1295245337 /nfs/dbraw/zinc/24/53/37/1295245337.db2.gz ADUOVIBGQDSLPB-QGZVFWFLSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCCC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902873 1295303339 /nfs/dbraw/zinc/30/33/39/1295303339.db2.gz QYGGMQOITCPOEC-MSOLQXFVSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCCC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902874 1295304283 /nfs/dbraw/zinc/30/42/83/1295304283.db2.gz QYGGMQOITCPOEC-ROUUACIJSA-N 1 3 347.503 2.749 20 30 EFEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902289 1295304832 /nfs/dbraw/zinc/30/48/32/1295304832.db2.gz JEVXRLAFRXKIEM-ROUUACIJSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCC[C@H](C)N[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885089 1295317787 /nfs/dbraw/zinc/31/77/87/1295317787.db2.gz ANCDSXAEIRLLHX-FUHWJXTLSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCCN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198885430 1295319281 /nfs/dbraw/zinc/31/92/81/1295319281.db2.gz HCDPDSWMPWSETQ-PKOBYXMFSA-N 1 3 347.503 2.604 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)c1ccc(OC)cc1 ZINC000304750818 1295748134 /nfs/dbraw/zinc/74/81/34/1295748134.db2.gz ISKMERGLTOPGQF-DOTOQJQBSA-N 1 3 332.492 2.577 20 30 EFEDHO CCN(CC)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1F ZINC000304744701 1295748342 /nfs/dbraw/zinc/74/83/42/1295748342.db2.gz DTFCVMRRLZIVQU-INIZCTEOSA-N 1 3 349.498 2.561 20 30 EFEDHO CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)Oc1ccccc1C ZINC000304757006 1295750593 /nfs/dbraw/zinc/75/05/93/1295750593.db2.gz OIYOUFHNOMBZFV-IRXDYDNUSA-N 1 3 332.492 2.541 20 30 EFEDHO CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCCN2CC)C12CCCCC2 ZINC000304805970 1295760904 /nfs/dbraw/zinc/76/09/04/1295760904.db2.gz RSTXQOBAWYGTNO-YESZJQIVSA-N 1 3 336.524 2.503 20 30 EFEDHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ccccc3C#N)C2)C1 ZINC001275969020 1296464060 /nfs/dbraw/zinc/46/40/60/1296464060.db2.gz WYYCKFMHDJGNBJ-OAQYLSRUSA-N 1 3 340.515 2.798 20 30 EFEDHO C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030194 1296494103 /nfs/dbraw/zinc/49/41/03/1296494103.db2.gz BZDQZROGVIMRFM-KANFNMMFSA-N 1 3 326.488 2.697 20 30 EFEDHO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030194 1296494105 /nfs/dbraw/zinc/49/41/05/1296494105.db2.gz BZDQZROGVIMRFM-KANFNMMFSA-N 1 3 326.488 2.697 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000960263353 1296668774 /nfs/dbraw/zinc/66/87/74/1296668774.db2.gz VHPLEXKZFUGKRG-HSALFYBXSA-N 1 3 341.499 2.807 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000960263353 1296668792 /nfs/dbraw/zinc/66/87/92/1296668792.db2.gz VHPLEXKZFUGKRG-HSALFYBXSA-N 1 3 341.499 2.807 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000960311692 1296727860 /nfs/dbraw/zinc/72/78/60/1296727860.db2.gz DLHBZZWTFOTDNG-NSISKUIASA-N 1 3 341.499 2.809 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000960311698 1296727974 /nfs/dbraw/zinc/72/79/74/1296727974.db2.gz DLHBZZWTFOTDNG-PWIZWCRZSA-N 1 3 341.499 2.809 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000960314103 1296730014 /nfs/dbraw/zinc/73/00/14/1296730014.db2.gz MDROSPLZEKQCST-NHCUHLMSSA-N 1 3 349.478 2.920 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789042 1313302785 /nfs/dbraw/zinc/30/27/85/1313302785.db2.gz UYNDZQKGWYTGRZ-RTBURBONSA-N 1 3 327.472 2.613 20 30 EFEDHO Cn1cc(CN2CCCC3(CC[NH+](CCCC#N)CC3)C2)cc1C#N ZINC001277943205 1313316047 /nfs/dbraw/zinc/31/60/47/1313316047.db2.gz PFCSBKXRUUIPKP-UHFFFAOYSA-N 1 3 339.487 2.879 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201677418 1296986360 /nfs/dbraw/zinc/98/63/60/1296986360.db2.gz BEKCIHHYJMOROH-GOSISDBHSA-N 1 3 341.540 2.506 20 30 EFEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CCCO1 ZINC001201677419 1296986735 /nfs/dbraw/zinc/98/67/35/1296986735.db2.gz BEKCIHHYJMOROH-SFHVURJKSA-N 1 3 341.540 2.506 20 30 EFEDHO N#Cc1ccc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320691 1313469215 /nfs/dbraw/zinc/46/92/15/1313469215.db2.gz UJFLIWLEBXCMNJ-OKILXGFUSA-N 1 3 334.261 2.752 20 30 EFEDHO C=CCN(CCN(C[C@H]1CCC[NH2+]C1)C1CCCC1)C(=O)OCC ZINC001236371318 1313473990 /nfs/dbraw/zinc/47/39/90/1313473990.db2.gz LDWBYGODTYYMBS-KRWDZBQOSA-N 1 3 337.508 2.875 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961156621 1298222090 /nfs/dbraw/zinc/22/20/90/1298222090.db2.gz LGTQAWKEXPQKAG-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961156621 1298222101 /nfs/dbraw/zinc/22/21/01/1298222101.db2.gz LGTQAWKEXPQKAG-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181350 1298259340 /nfs/dbraw/zinc/25/93/40/1298259340.db2.gz JHLKAUSKPAPEDJ-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181350 1298259350 /nfs/dbraw/zinc/25/93/50/1298259350.db2.gz JHLKAUSKPAPEDJ-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605497 1313510501 /nfs/dbraw/zinc/51/05/01/1313510501.db2.gz RQQNQHQURGDCBL-NEWSRXKRSA-N 1 3 327.472 2.659 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605497 1313510504 /nfs/dbraw/zinc/51/05/04/1313510504.db2.gz RQQNQHQURGDCBL-NEWSRXKRSA-N 1 3 327.472 2.659 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961338501 1298574944 /nfs/dbraw/zinc/57/49/44/1298574944.db2.gz FZCYBIPCVNPZJB-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961338501 1298574954 /nfs/dbraw/zinc/57/49/54/1298574954.db2.gz FZCYBIPCVNPZJB-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961340408 1298578582 /nfs/dbraw/zinc/57/85/82/1298578582.db2.gz KNRBCAZFGORTFR-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961340408 1298578587 /nfs/dbraw/zinc/57/85/87/1298578587.db2.gz KNRBCAZFGORTFR-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961340396 1298579158 /nfs/dbraw/zinc/57/91/58/1298579158.db2.gz KNRBCAZFGORTFR-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961340396 1298579170 /nfs/dbraw/zinc/57/91/70/1298579170.db2.gz KNRBCAZFGORTFR-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961349468 1298594731 /nfs/dbraw/zinc/59/47/31/1298594731.db2.gz SQCFHAFQFNFIMZ-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961349468 1298594737 /nfs/dbraw/zinc/59/47/37/1298594737.db2.gz SQCFHAFQFNFIMZ-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961372291 1298635117 /nfs/dbraw/zinc/63/51/17/1298635117.db2.gz AVKAZQMIWOTQNL-PMACEKPBSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961372291 1298635125 /nfs/dbraw/zinc/63/51/25/1298635125.db2.gz AVKAZQMIWOTQNL-PMACEKPBSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961376404 1298647002 /nfs/dbraw/zinc/64/70/02/1298647002.db2.gz STGQXICLOKJEDI-MOPGFXCFSA-N 1 3 335.536 2.709 20 30 EFEDHO 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C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CCCN1CCCCC1)C2 ZINC001209449784 1314164958 /nfs/dbraw/zinc/16/49/58/1314164958.db2.gz LFFYBOSGQOJHOJ-FQEVSTJZSA-N 1 3 333.520 2.896 20 30 EFEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441438 1307341035 /nfs/dbraw/zinc/34/10/35/1307341035.db2.gz FXQNNGMMZCPKPO-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441438 1307341039 /nfs/dbraw/zinc/34/10/39/1307341039.db2.gz FXQNNGMMZCPKPO-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209640405 1314205963 /nfs/dbraw/zinc/20/59/63/1314205963.db2.gz BXXFSUACQFIEPF-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045942447 1307953398 /nfs/dbraw/zinc/95/33/98/1307953398.db2.gz XPVSFPCBQHZTDL-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045942447 1307953405 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345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958877 1308001449 /nfs/dbraw/zinc/00/14/49/1308001449.db2.gz YTTSMMIWORPEFZ-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967388 1308025265 /nfs/dbraw/zinc/02/52/65/1308025265.db2.gz UACIGFKNDXPGEL-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967388 1308025270 /nfs/dbraw/zinc/02/52/70/1308025270.db2.gz UACIGFKNDXPGEL-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986342 1308087325 /nfs/dbraw/zinc/08/73/25/1308087325.db2.gz NWCGSNDJOQXKTN-OAQYLSRUSA-N 1 3 345.531 2.590 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047243628 1310397964 /nfs/dbraw/zinc/39/79/64/1310397964.db2.gz MFCBLMIRQMXWSG-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 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/nfs/dbraw/zinc/09/76/79/1311097679.db2.gz YTSVOENSMPSAOP-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO CCCCCCCCCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521545 1311146452 /nfs/dbraw/zinc/14/64/52/1311146452.db2.gz VPOZLTSPVILOHC-HXUWFJFHSA-N 1 3 335.536 2.929 20 30 EFEDHO CCCCCCCCCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521545 1311146454 /nfs/dbraw/zinc/14/64/54/1311146454.db2.gz VPOZLTSPVILOHC-HXUWFJFHSA-N 1 3 335.536 2.929 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656497 1311167940 /nfs/dbraw/zinc/16/79/40/1311167940.db2.gz KDDSNFFCHKFSJD-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656497 1311167941 /nfs/dbraw/zinc/16/79/41/1311167941.db2.gz KDDSNFFCHKFSJD-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO Cc1cc(C#N)ccc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276858103 1311211394 /nfs/dbraw/zinc/21/13/94/1311211394.db2.gz BDJKRHLEPUNNIL-NRFANRHFSA-N 1 3 340.515 2.716 20 30 EFEDHO Cc1cc(C#N)ccc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276858103 1311211397 /nfs/dbraw/zinc/21/13/97/1311211397.db2.gz BDJKRHLEPUNNIL-NRFANRHFSA-N 1 3 340.515 2.716 20 30 EFEDHO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913831 1311415921 /nfs/dbraw/zinc/41/59/21/1311415921.db2.gz FOBKQHNHSAFOKJ-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001158913831 1311415924 /nfs/dbraw/zinc/41/59/24/1311415924.db2.gz FOBKQHNHSAFOKJ-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CC/C=C/CC)CC2)CC1 ZINC001225557977 1311542639 /nfs/dbraw/zinc/54/26/39/1311542639.db2.gz XTMHOEIHWGZCHT-AATRIKPKSA-N 1 3 345.531 2.516 20 30 EFEDHO C=CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160131465 1311650369 /nfs/dbraw/zinc/65/03/69/1311650369.db2.gz MUOCJOPBLUBJNR-UHFFFAOYSA-N 1 3 333.520 2.965 20 30 EFEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001160131465 1311650372 /nfs/dbraw/zinc/65/03/72/1311650372.db2.gz MUOCJOPBLUBJNR-UHFFFAOYSA-N 1 3 333.520 2.965 20 30 EFEDHO C#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160990473 1311830038 /nfs/dbraw/zinc/83/00/38/1311830038.db2.gz AXLBAXXYTAPYNC-HXUWFJFHSA-N 1 3 343.515 2.555 20 30 EFEDHO C#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160990473 1311830041 /nfs/dbraw/zinc/83/00/41/1311830041.db2.gz AXLBAXXYTAPYNC-HXUWFJFHSA-N 1 3 343.515 2.555 20 30 EFEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048530058 1311868012 /nfs/dbraw/zinc/86/80/12/1311868012.db2.gz DYROYOUARMQWOP-FCGDIQPGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048530058 1311868014 /nfs/dbraw/zinc/86/80/14/1311868014.db2.gz DYROYOUARMQWOP-FCGDIQPGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161391868 1311877510 /nfs/dbraw/zinc/87/75/10/1311877510.db2.gz XRZUDHCQQQIAAS-IBGZPJMESA-N 1 3 333.520 2.964 20 30 EFEDHO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001161391868 1311877512 /nfs/dbraw/zinc/87/75/12/1311877512.db2.gz XRZUDHCQQQIAAS-IBGZPJMESA-N 1 3 333.520 2.964 20 30 EFEDHO C#CCCCCCCCCC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161444871 1311890658 /nfs/dbraw/zinc/89/06/58/1311890658.db2.gz LHBLLEFFGJOGEG-IBGZPJMESA-N 1 3 335.536 2.883 20 30 EFEDHO C=C(C)Cc1ccc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161449875 1311892758 /nfs/dbraw/zinc/89/27/58/1311892758.db2.gz UTYZAWCTQFJHOS-LJQANCHMSA-N 1 3 329.488 2.561 20 30 EFEDHO C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952974 1312012734 /nfs/dbraw/zinc/01/27/34/1312012734.db2.gz NPWJDCXDWJAEIZ-IBGZPJMESA-N 1 3 333.520 2.965 20 30 EFEDHO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952974 1312012738 /nfs/dbraw/zinc/01/27/38/1312012738.db2.gz NPWJDCXDWJAEIZ-IBGZPJMESA-N 1 3 333.520 2.965 20 30 EFEDHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1 ZINC000902796890 1312115181 /nfs/dbraw/zinc/11/51/81/1312115181.db2.gz RKWKTQQGWXONHI-LJQANCHMSA-N 1 3 342.487 2.542 20 30 EFEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1CCCC ZINC001229615524 1312120260 /nfs/dbraw/zinc/12/02/60/1312120260.db2.gz NSFYULUXWDNGDT-QRVBRYPASA-N 1 3 333.520 2.681 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162832402 1312186350 /nfs/dbraw/zinc/18/63/50/1312186350.db2.gz RLFSAQKCDQUUEY-UHFFFAOYSA-N 1 3 343.515 2.708 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001162928831 1312206060 /nfs/dbraw/zinc/20/60/60/1312206060.db2.gz OYZYSYXVLSTAHX-IBGZPJMESA-N 1 3 343.515 2.565 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162929472 1312206242 /nfs/dbraw/zinc/20/62/42/1312206242.db2.gz ZFRHNXFZCRRCBB-LJQANCHMSA-N 1 3 343.515 2.708 20 30 EFEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CC(C)(C)C ZINC001162935477 1312206549 /nfs/dbraw/zinc/20/65/49/1312206549.db2.gz XWKTZAYHCUSKKF-UHFFFAOYSA-N 1 3 345.531 2.811 20 30 EFEDHO C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946953 1312208934 /nfs/dbraw/zinc/20/89/34/1312208934.db2.gz URWVFIWQUYJSEB-UHFFFAOYSA-N 1 3 340.471 2.579 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC/C=C/CCC)CC2)CC1 ZINC001230344881 1312226977 /nfs/dbraw/zinc/22/69/77/1312226977.db2.gz OOTAQARHVMCFCI-VOTSOKGWSA-N 1 3 345.531 2.659 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001230572852 1312269601 /nfs/dbraw/zinc/26/96/01/1312269601.db2.gz UWKSATVBSYMHGU-PMACEKPBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001230572852 1312269605 /nfs/dbraw/zinc/26/96/05/1312269605.db2.gz UWKSATVBSYMHGU-PMACEKPBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001230598098 1312278294 /nfs/dbraw/zinc/27/82/94/1312278294.db2.gz FKTLAYMAKFIHMW-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001230598098 1312278297 /nfs/dbraw/zinc/27/82/97/1312278297.db2.gz FKTLAYMAKFIHMW-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610821 1312283326 /nfs/dbraw/zinc/28/33/26/1312283326.db2.gz IFVBMEHVTKXAKY-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610821 1312283330 /nfs/dbraw/zinc/28/33/30/1312283330.db2.gz IFVBMEHVTKXAKY-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCC[N@@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230781661 1312340702 /nfs/dbraw/zinc/34/07/02/1312340702.db2.gz SNAFBOQJKKGQOK-IBGZPJMESA-N 1 3 346.519 2.552 20 30 EFEDHO C=CCC[N@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230781661 1312340706 /nfs/dbraw/zinc/34/07/06/1312340706.db2.gz SNAFBOQJKKGQOK-IBGZPJMESA-N 1 3 346.519 2.552 20 30 EFEDHO C=C(C)CN(CCCNC(=O)C(C)(C)[N@@H+](C)CC)Cc1cccnc1 ZINC001230790281 1312344586 /nfs/dbraw/zinc/34/45/86/1312344586.db2.gz UBHPXEYIUKDBKK-UHFFFAOYSA-N 1 3 346.519 2.696 20 30 EFEDHO C=C(C)CN(CCCNC(=O)C(C)(C)[N@H+](C)CC)Cc1cccnc1 ZINC001230790281 1312344590 /nfs/dbraw/zinc/34/45/90/1312344590.db2.gz UBHPXEYIUKDBKK-UHFFFAOYSA-N 1 3 346.519 2.696 20 30 EFEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491880 1312524639 /nfs/dbraw/zinc/52/46/39/1312524639.db2.gz PAAIQKZXRWBWDZ-INIZCTEOSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(Cl)CNCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491880 1312524640 /nfs/dbraw/zinc/52/46/40/1312524640.db2.gz PAAIQKZXRWBWDZ-INIZCTEOSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211240441 1314461711 /nfs/dbraw/zinc/46/17/11/1314461711.db2.gz LNMVHDDUTHIYFT-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC/C=C\CCC)C[C@H]2C)CC1 ZINC001211307043 1314472866 /nfs/dbraw/zinc/47/28/66/1314472866.db2.gz MZUPYSSMHOTEER-HTJOGQSXSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CCC)C[C@H]2C)CC1 ZINC001211307043 1314472868 /nfs/dbraw/zinc/47/28/68/1314472868.db2.gz MZUPYSSMHOTEER-HTJOGQSXSA-N 1 3 345.531 2.515 20 30 EFEDHO CCCCCCCCCC[C@H](O)CNC[C@]12C[NH2+]C[C@H]1COC2 ZINC001245985959 1314560048 /nfs/dbraw/zinc/56/00/48/1314560048.db2.gz UHWVMBRAMXVOLU-FHWLQOOXSA-N 1 3 326.525 2.704 20 30 EFEDHO CCCCCCCCCCCC[C@H](O)CNC[C@@H]1C[NH2+]CCN1 ZINC001246017195 1314566887 /nfs/dbraw/zinc/56/68/87/1314566887.db2.gz WVBHMADJPBTQNR-OALUTQOASA-N 1 3 327.557 2.809 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027852 1314597923 /nfs/dbraw/zinc/59/79/23/1314597923.db2.gz IDGZCDOXMQFSDS-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027852 1314597927 /nfs/dbraw/zinc/59/79/27/1314597927.db2.gz IDGZCDOXMQFSDS-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053044810 1314627760 /nfs/dbraw/zinc/62/77/60/1314627760.db2.gz SEPTWXBXEUNBGX-ROUUACIJSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053044810 1314627765 /nfs/dbraw/zinc/62/77/65/1314627765.db2.gz SEPTWXBXEUNBGX-ROUUACIJSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053044811 1314628046 /nfs/dbraw/zinc/62/80/46/1314628046.db2.gz SEPTWXBXEUNBGX-ZWKOTPCHSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053044811 1314628050 /nfs/dbraw/zinc/62/80/50/1314628050.db2.gz SEPTWXBXEUNBGX-ZWKOTPCHSA-N 1 3 344.503 2.869 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047041 1314631732 /nfs/dbraw/zinc/63/17/32/1314631732.db2.gz OZDCVVIYWTVHEY-VQTJNVASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047041 1314631737 /nfs/dbraw/zinc/63/17/37/1314631737.db2.gz OZDCVVIYWTVHEY-VQTJNVASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC001246527136 1314642552 /nfs/dbraw/zinc/64/25/52/1314642552.db2.gz SJMVDCRGZWWMSX-IRXDYDNUSA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)C1 ZINC001246527136 1314642554 /nfs/dbraw/zinc/64/25/54/1314642554.db2.gz SJMVDCRGZWWMSX-IRXDYDNUSA-N 1 3 335.492 2.628 20 30 EFEDHO CCCCCCCCC[C@H](C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630081 1314660445 /nfs/dbraw/zinc/66/04/45/1314660445.db2.gz RLBSAMJYSRQJQR-PXNSSMCTSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCCC[C@H](C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630081 1314660448 /nfs/dbraw/zinc/66/04/48/1314660448.db2.gz RLBSAMJYSRQJQR-PXNSSMCTSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCC[C@H](CC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246631397 1314661641 /nfs/dbraw/zinc/66/16/41/1314661641.db2.gz XDXVFQTVUGMRFO-FXAWDEMLSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCC[C@H](CC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246631397 1314661643 /nfs/dbraw/zinc/66/16/43/1314661643.db2.gz XDXVFQTVUGMRFO-FXAWDEMLSA-N 1 3 335.536 2.927 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098369 1314712187 /nfs/dbraw/zinc/71/21/87/1314712187.db2.gz MWPLYZIXIMBQOX-AEFFLSMTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098369 1314712191 /nfs/dbraw/zinc/71/21/91/1314712191.db2.gz MWPLYZIXIMBQOX-AEFFLSMTSA-N 1 3 330.476 2.621 20 30 EFEDHO C[NH+]1CCC(C2CCN(Cc3cnn4ccc(C#N)cc34)CC2)CC1 ZINC001249107120 1315019849 /nfs/dbraw/zinc/01/98/49/1315019849.db2.gz SLLBLZGEDNCCRM-UHFFFAOYSA-N 1 3 337.471 2.760 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624004 1315048596 /nfs/dbraw/zinc/04/85/96/1315048596.db2.gz RQCNPGVIHJFYGN-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624004 1315048602 /nfs/dbraw/zinc/04/86/02/1315048602.db2.gz RQCNPGVIHJFYGN-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO N#C[C@H]1CNC[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834373 1315115951 /nfs/dbraw/zinc/11/59/51/1315115951.db2.gz WZULTFURAYJFKE-QFBILLFUSA-N 1 3 325.457 2.851 20 30 EFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1c(C#N)oc2ccccc21 ZINC001218626935 1315222768 /nfs/dbraw/zinc/22/27/68/1315222768.db2.gz NXZBHIWWUSEJGE-AWEZNQCLSA-N 1 3 328.416 2.739 20 30 EFEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001218953170 1315263415 /nfs/dbraw/zinc/26/34/15/1315263415.db2.gz JENRJWIUODFNQJ-ZDUSSCGKSA-N 1 3 342.365 2.575 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174402 1315409784 /nfs/dbraw/zinc/40/97/84/1315409784.db2.gz OMCPUQGXBSFLOK-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174402 1315409788 /nfs/dbraw/zinc/40/97/88/1315409788.db2.gz OMCPUQGXBSFLOK-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197470 1315440952 /nfs/dbraw/zinc/44/09/52/1315440952.db2.gz CECLITWFKSBFKL-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197470 1315440958 /nfs/dbraw/zinc/44/09/58/1315440958.db2.gz CECLITWFKSBFKL-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209884 1315461644 /nfs/dbraw/zinc/46/16/44/1315461644.db2.gz ZVIPDBSEJOWCIS-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209884 1315461648 /nfs/dbraw/zinc/46/16/48/1315461648.db2.gz ZVIPDBSEJOWCIS-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209784 1315461711 /nfs/dbraw/zinc/46/17/11/1315461711.db2.gz XQWISWGEXZPNQK-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C[C@](C)(O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001252553238 1315467804 /nfs/dbraw/zinc/46/78/04/1315467804.db2.gz UYBXMAASWLRXBZ-IBGZPJMESA-N 1 3 329.488 2.695 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243740 1315514440 /nfs/dbraw/zinc/51/44/40/1315514440.db2.gz NDVCZDQKYFLGLL-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243740 1315514444 /nfs/dbraw/zinc/51/44/44/1315514444.db2.gz NDVCZDQKYFLGLL-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165421 1315565365 /nfs/dbraw/zinc/56/53/65/1315565365.db2.gz PVVKNLBHAHCDJZ-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165421 1315565369 /nfs/dbraw/zinc/56/53/69/1315565369.db2.gz PVVKNLBHAHCDJZ-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221657268 1315571546 /nfs/dbraw/zinc/57/15/46/1315571546.db2.gz QAVUYPKARFTZOL-QZTJIDSGSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221657268 1315571550 /nfs/dbraw/zinc/57/15/50/1315571550.db2.gz QAVUYPKARFTZOL-QZTJIDSGSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228593 1315650309 /nfs/dbraw/zinc/65/03/09/1315650309.db2.gz GJLWBRQANPREMP-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228593 1315650312 /nfs/dbraw/zinc/65/03/12/1315650312.db2.gz GJLWBRQANPREMP-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228595 1315651047 /nfs/dbraw/zinc/65/10/47/1315651047.db2.gz GJLWBRQANPREMP-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228595 1315651050 /nfs/dbraw/zinc/65/10/50/1315651050.db2.gz GJLWBRQANPREMP-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235514 1315659792 /nfs/dbraw/zinc/65/97/92/1315659792.db2.gz XZMHZBNXGWHYDQ-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235514 1315659795 /nfs/dbraw/zinc/65/97/95/1315659795.db2.gz XZMHZBNXGWHYDQ-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236862 1315661463 /nfs/dbraw/zinc/66/14/63/1315661463.db2.gz FVVJWAXJRJOLBO-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236862 1315661466 /nfs/dbraw/zinc/66/14/66/1315661466.db2.gz FVVJWAXJRJOLBO-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO N#CCC1(NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001254053707 1315669249 /nfs/dbraw/zinc/66/92/49/1315669249.db2.gz AXNBFYAJFPZKCR-UHFFFAOYSA-N 1 3 327.472 2.830 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)N(C)C ZINC001039282029 1315700556 /nfs/dbraw/zinc/70/05/56/1315700556.db2.gz HHAIZVFZGLEZJW-WTXIUTQJSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)N(C)C ZINC001039294531 1315705648 /nfs/dbraw/zinc/70/56/48/1315705648.db2.gz HHAIZVFZGLEZJW-UYTSQGDYSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(C)C(=O)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255125958 1315779528 /nfs/dbraw/zinc/77/95/28/1315779528.db2.gz IQKNKPBMLAQMQU-LDLYASANSA-N 1 3 328.456 2.891 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039448057 1315797428 /nfs/dbraw/zinc/79/74/28/1315797428.db2.gz USNKJQBNEGKWAO-CEXWTWQISA-N 1 3 333.520 2.891 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039448057 1315797430 /nfs/dbraw/zinc/79/74/30/1315797430.db2.gz USNKJQBNEGKWAO-CEXWTWQISA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447805 1315797662 /nfs/dbraw/zinc/79/76/62/1315797662.db2.gz KPVDRYWSDKUKHW-QRVBRYPASA-N 1 3 333.520 2.892 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474473 1315817419 /nfs/dbraw/zinc/81/74/19/1315817419.db2.gz KBKCKALTTPJXAS-HSALFYBXSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCOC(=O)N1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256567570 1315960690 /nfs/dbraw/zinc/96/06/90/1315960690.db2.gz WGMTUEBMNVBHKW-UHFFFAOYSA-N 1 3 337.508 2.874 20 30 EFEDHO CN1CCN(Cc2ccccc2C[NH2+]C2CCC(C#N)CC2)CC1 ZINC001256954190 1316014560 /nfs/dbraw/zinc/01/45/60/1316014560.db2.gz ZKHHMSIRDFOGHJ-UHFFFAOYSA-N 1 3 326.488 2.606 20 30 EFEDHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3CCC(C#N)CC3)CC2)C1 ZINC001256964067 1316015126 /nfs/dbraw/zinc/01/51/26/1316015126.db2.gz PYFWSHFELNMACA-LXPRWKDFSA-N 1 3 347.503 2.808 20 30 EFEDHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C3CCC(C#N)CC3)CC2)C1 ZINC001256964067 1316015130 /nfs/dbraw/zinc/01/51/30/1316015130.db2.gz PYFWSHFELNMACA-LXPRWKDFSA-N 1 3 347.503 2.808 20 30 EFEDHO C=CCN1C(=O)CCC[C@]12CCCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257216542 1316047462 /nfs/dbraw/zinc/04/74/62/1316047462.db2.gz HTRFLXNYPDQTKY-HXUWFJFHSA-N 1 3 333.520 2.892 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240773 1316160412 /nfs/dbraw/zinc/16/04/12/1316160412.db2.gz JJKHJEBFHNZCOW-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240773 1316160416 /nfs/dbraw/zinc/16/04/16/1316160416.db2.gz JJKHJEBFHNZCOW-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040242522 1316162223 /nfs/dbraw/zinc/16/22/23/1316162223.db2.gz YQFUDPCOASZIGG-UYAOXDASSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040242522 1316162225 /nfs/dbraw/zinc/16/22/25/1316162225.db2.gz YQFUDPCOASZIGG-UYAOXDASSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258717161 1316173118 /nfs/dbraw/zinc/17/31/18/1316173118.db2.gz JGBUPWYLDRZGNC-MJGOQNOKSA-N 1 3 343.515 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040378729 1316230141 /nfs/dbraw/zinc/23/01/41/1316230141.db2.gz GKQQMADULMFBGG-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040378729 1316230144 /nfs/dbraw/zinc/23/01/44/1316230144.db2.gz GKQQMADULMFBGG-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433250 1316263273 /nfs/dbraw/zinc/26/32/73/1316263273.db2.gz VCCJJENGBATMEM-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487715 1316289220 /nfs/dbraw/zinc/28/92/20/1316289220.db2.gz GNAZEIRBSJSWAY-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487715 1316289223 /nfs/dbraw/zinc/28/92/23/1316289223.db2.gz GNAZEIRBSJSWAY-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001040874124 1316394129 /nfs/dbraw/zinc/39/41/29/1316394129.db2.gz CTFFSELEWIWCOV-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C[C@@H](CNCCC(=O)Nc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC001261436369 1316412135 /nfs/dbraw/zinc/41/21/35/1316412135.db2.gz ZWUXXKMXWIQXBD-INIZCTEOSA-N 1 3 328.460 2.598 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285694 1316502463 /nfs/dbraw/zinc/50/24/63/1316502463.db2.gz GJWIHWJHOSDIBH-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285694 1316502464 /nfs/dbraw/zinc/50/24/64/1316502464.db2.gz GJWIHWJHOSDIBH-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041845971 1316732405 /nfs/dbraw/zinc/73/24/05/1316732405.db2.gz UJCINGFWJOIURU-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041845971 1316732407 /nfs/dbraw/zinc/73/24/07/1316732407.db2.gz UJCINGFWJOIURU-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062888 1316852948 /nfs/dbraw/zinc/85/29/48/1316852948.db2.gz PCJJOGMYQNGHTN-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062888 1316852949 /nfs/dbraw/zinc/85/29/49/1316852949.db2.gz PCJJOGMYQNGHTN-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125502 1316896697 /nfs/dbraw/zinc/89/66/97/1316896697.db2.gz UZYNDCSGNXVXRB-IEBWSBKVSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125502 1316896699 /nfs/dbraw/zinc/89/66/99/1316896699.db2.gz UZYNDCSGNXVXRB-IEBWSBKVSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC001042234205 1316997903 /nfs/dbraw/zinc/99/79/03/1316997903.db2.gz LBJHJQMQLLXYMC-AZUAARDMSA-N 1 3 341.499 2.513 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042315024 1317138327 /nfs/dbraw/zinc/13/83/27/1317138327.db2.gz YRAVAEOOMNNAEN-HOTGVXAUSA-N 1 3 330.476 2.576 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042315024 1317138329 /nfs/dbraw/zinc/13/83/29/1317138329.db2.gz YRAVAEOOMNNAEN-HOTGVXAUSA-N 1 3 330.476 2.576 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3CC2)cc1C#N ZINC001279179597 1317204946 /nfs/dbraw/zinc/20/49/46/1317204946.db2.gz ZFRAHSVLIPSXLR-BGYRXZFFSA-N 1 3 349.482 2.636 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3CC2)cc1C#N ZINC001279179597 1317204952 /nfs/dbraw/zinc/20/49/52/1317204952.db2.gz ZFRAHSVLIPSXLR-BGYRXZFFSA-N 1 3 349.482 2.636 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365842 1317217695 /nfs/dbraw/zinc/21/76/95/1317217695.db2.gz RCQXROJKQDCPAQ-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365842 1317217703 /nfs/dbraw/zinc/21/77/03/1317217703.db2.gz RCQXROJKQDCPAQ-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368127 1317222871 /nfs/dbraw/zinc/22/28/71/1317222871.db2.gz ODHCINKOBPYDJU-YLJYHZDGSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368127 1317222879 /nfs/dbraw/zinc/22/28/79/1317222879.db2.gz ODHCINKOBPYDJU-YLJYHZDGSA-N 1 3 341.499 2.861 20 30 EFEDHO N#CCc1ccccc1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001279376078 1317250300 /nfs/dbraw/zinc/25/03/00/1317250300.db2.gz PBAGVNZZQNBXAK-UHFFFAOYSA-N 1 3 349.482 2.547 20 30 EFEDHO Cc1cc(N2C[C@@H]3CCN(Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)cc[nH+]1 ZINC001279785043 1317385896 /nfs/dbraw/zinc/38/58/96/1317385896.db2.gz BRMBYKBZXWJMBP-KDURUIRLSA-N 1 3 349.482 2.949 20 30 EFEDHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001323636276 1329556444 /nfs/dbraw/zinc/55/64/44/1329556444.db2.gz BWTBSVQJAMXFKB-OALUTQOASA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001323636276 1329556446 /nfs/dbraw/zinc/55/64/46/1329556446.db2.gz BWTBSVQJAMXFKB-OALUTQOASA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001340400311 1332188012 /nfs/dbraw/zinc/18/80/12/1332188012.db2.gz OKKZKBFOIVGCSI-LJQANCHMSA-N 1 3 344.503 2.839 20 30 EFEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679977 1334559926 /nfs/dbraw/zinc/55/99/26/1334559926.db2.gz YSESEQHQKGAKAV-RJYAGPCLSA-N 1 3 339.499 2.650 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001357374257 1335305752 /nfs/dbraw/zinc/30/57/52/1335305752.db2.gz AHHQMQHUHGYGSL-OAHLLOKOSA-N 1 3 339.867 2.903 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001357458665 1335308257 /nfs/dbraw/zinc/30/82/57/1335308257.db2.gz ZDSNVCSKUDQHFW-UFYCRDLUSA-N 1 3 343.515 2.869 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570787 1335316938 /nfs/dbraw/zinc/31/69/38/1335316938.db2.gz OZFKADNGEMVWAX-QRQLOZEOSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570787 1335316940 /nfs/dbraw/zinc/31/69/40/1335316940.db2.gz OZFKADNGEMVWAX-QRQLOZEOSA-N 1 3 329.488 2.697 20 30 EFEDHO C=C(Cl)CNC[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001367202657 1338509569 /nfs/dbraw/zinc/50/95/69/1338509569.db2.gz YYROVRZDXFBPOT-GOSISDBHSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)C2 ZINC001368350750 1339311603 /nfs/dbraw/zinc/31/16/03/1339311603.db2.gz MENHVVFXSHSHMH-BJWYYQGGSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)C2 ZINC001368350750 1339311606 /nfs/dbraw/zinc/31/16/06/1339311606.db2.gz MENHVVFXSHSHMH-BJWYYQGGSA-N 1 3 341.927 2.830 20 30 EFEDHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001371848698 1340721270 /nfs/dbraw/zinc/72/12/70/1340721270.db2.gz ZHQUDSNDXXZOQL-INIZCTEOSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001378359270 1345010850 /nfs/dbraw/zinc/01/08/50/1345010850.db2.gz YFBINZALFOLGIO-HNNXBMFYSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001378359270 1345010846 /nfs/dbraw/zinc/01/08/46/1345010846.db2.gz YFBINZALFOLGIO-HNNXBMFYSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001378359272 1345011077 /nfs/dbraw/zinc/01/10/77/1345011077.db2.gz YFBINZALFOLGIO-OAHLLOKOSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001378359272 1345011081 /nfs/dbraw/zinc/01/10/81/1345011081.db2.gz YFBINZALFOLGIO-OAHLLOKOSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001419636519 1375603628 /nfs/dbraw/zinc/60/36/28/1375603628.db2.gz YEVOFKAYDIACFH-UHFFFAOYSA-N 1 3 327.900 2.634 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CN(C)CCC)CCCC[C@@H]1C ZINC001391808732 1355551111 /nfs/dbraw/zinc/55/11/11/1355551111.db2.gz LFITXYCIFCKUTI-YOEHRIQHSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CN(C)CCC)CCCC[C@H]1C ZINC001391808381 1355551134 /nfs/dbraw/zinc/55/11/34/1355551134.db2.gz LFITXYCIFCKUTI-PBHICJAKSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001394833400 1358134709 /nfs/dbraw/zinc/13/47/09/1358134709.db2.gz JXYGHUBSDKRZQM-MRXNPFEDSA-N 1 3 343.943 2.980 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001394858873 1358165586 /nfs/dbraw/zinc/16/55/86/1358165586.db2.gz GRROIVCVMRQTJP-UHFFFAOYSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001394858873 1358165589 /nfs/dbraw/zinc/16/55/89/1358165589.db2.gz GRROIVCVMRQTJP-UHFFFAOYSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001400950990 1362290657 /nfs/dbraw/zinc/29/06/57/1362290657.db2.gz FQHXXYRJTNSVBH-MRXNPFEDSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001400950990 1362290660 /nfs/dbraw/zinc/29/06/60/1362290660.db2.gz FQHXXYRJTNSVBH-MRXNPFEDSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001401302028 1362647433 /nfs/dbraw/zinc/64/74/33/1362647433.db2.gz VKLAASNQFMKFKS-DZGCQCFKSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001421651447 1378947625 /nfs/dbraw/zinc/94/76/25/1378947625.db2.gz DRLCBPZOPIIJAR-BZUAXINKSA-N 1 3 329.916 2.590 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045779 1379537853 /nfs/dbraw/zinc/53/78/53/1379537853.db2.gz FKGYVVARFZNNDU-IRXDYDNUSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001440423510 1389621357 /nfs/dbraw/zinc/62/13/57/1389621357.db2.gz VBQHHLVRNRPUGP-ZBFHGGJFSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001440423510 1389621362 /nfs/dbraw/zinc/62/13/62/1389621362.db2.gz VBQHHLVRNRPUGP-ZBFHGGJFSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001508035569 1407256237 /nfs/dbraw/zinc/25/62/37/1407256237.db2.gz MLDJUSHSONWRJM-OAHLLOKOSA-N 1 3 329.916 2.735 20 30 EFEDHO CC[C@H](C(=O)NCCC[N@H+](CC#Cc1ccccc1)C(C)C)N(C)C ZINC001567651066 1416231224 /nfs/dbraw/zinc/23/12/24/1416231224.db2.gz AERDXBXTHYMZMB-HXUWFJFHSA-N 1 3 343.515 2.595 20 30 EFEDHO CC[C@H](C(=O)NCCC[N@@H+](CC#Cc1ccccc1)C(C)C)N(C)C ZINC001567651066 1416231230 /nfs/dbraw/zinc/23/12/30/1416231230.db2.gz AERDXBXTHYMZMB-HXUWFJFHSA-N 1 3 343.515 2.595 20 30 EFEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001724049780 1424635676 /nfs/dbraw/zinc/63/56/76/1424635676.db2.gz DZTWFQGODLMFJX-HXUWFJFHSA-N 1 3 347.547 2.833 20 30 EFEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153930 712940367 /nfs/dbraw/zinc/94/03/67/712940367.db2.gz SRWOHOMQEJEKBE-FQEVSTJZSA-N 1 3 341.499 2.746 20 30 EFEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153930 712940369 /nfs/dbraw/zinc/94/03/69/712940369.db2.gz SRWOHOMQEJEKBE-FQEVSTJZSA-N 1 3 341.499 2.746 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2C[C@@H](C)CC)CC1 ZINC000969156333 712944953 /nfs/dbraw/zinc/94/49/53/712944953.db2.gz PVYYZNOZGKAIIA-ICSRJNTNSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC000969156333 712944954 /nfs/dbraw/zinc/94/49/54/712944954.db2.gz PVYYZNOZGKAIIA-ICSRJNTNSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153571 713533193 /nfs/dbraw/zinc/53/31/93/713533193.db2.gz BXDQUBFWEITQQX-RBUKOAKNSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153571 713533195 /nfs/dbraw/zinc/53/31/95/713533195.db2.gz BXDQUBFWEITQQX-RBUKOAKNSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970914986 714130146 /nfs/dbraw/zinc/13/01/46/714130146.db2.gz DQZAVLSUIDERFN-MRXNPFEDSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671916 714275434 /nfs/dbraw/zinc/27/54/34/714275434.db2.gz XHFJZHZQESQBAS-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671916 714275436 /nfs/dbraw/zinc/27/54/36/714275436.db2.gz XHFJZHZQESQBAS-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251068 717980477 /nfs/dbraw/zinc/98/04/77/717980477.db2.gz FULBZSSOCAXMCA-QXAKKESOSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251068 717980481 /nfs/dbraw/zinc/98/04/81/717980481.db2.gz FULBZSSOCAXMCA-QXAKKESOSA-N 1 3 341.499 2.765 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617868 718027143 /nfs/dbraw/zinc/02/71/43/718027143.db2.gz MHBGODALIBDDHI-UXHICEINSA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617868 718027149 /nfs/dbraw/zinc/02/71/49/718027149.db2.gz MHBGODALIBDDHI-UXHICEINSA-N 1 3 345.531 2.778 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038988 715443984 /nfs/dbraw/zinc/44/39/84/715443984.db2.gz MHJFTGMIGNLVJZ-BEFAXECRSA-N 1 3 339.499 2.602 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038988 715443989 /nfs/dbraw/zinc/44/39/89/715443989.db2.gz MHJFTGMIGNLVJZ-BEFAXECRSA-N 1 3 339.499 2.602 20 30 EFEDHO C=C(C)CN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442660 716217980 /nfs/dbraw/zinc/21/79/80/716217980.db2.gz WZDDBYYTQIRGEI-GOSISDBHSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692265 716539675 /nfs/dbraw/zinc/53/96/75/716539675.db2.gz DKTKGIKSDPBJAK-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692265 716539680 /nfs/dbraw/zinc/53/96/80/716539680.db2.gz DKTKGIKSDPBJAK-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978951541 716598617 /nfs/dbraw/zinc/59/86/17/716598617.db2.gz QBKSRVQGPXSIHU-HAGHYFMRSA-N 1 3 347.547 2.901 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978951541 716598620 /nfs/dbraw/zinc/59/86/20/716598620.db2.gz QBKSRVQGPXSIHU-HAGHYFMRSA-N 1 3 347.547 2.901 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001023760449 716973517 /nfs/dbraw/zinc/97/35/17/716973517.db2.gz WJHIJDZBOBRKQN-LJQANCHMSA-N 1 3 347.547 2.596 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(CC)CC)C2)CC1 ZINC001023760449 716973521 /nfs/dbraw/zinc/97/35/21/716973521.db2.gz WJHIJDZBOBRKQN-LJQANCHMSA-N 1 3 347.547 2.596 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979710189 717369587 /nfs/dbraw/zinc/36/95/87/717369587.db2.gz JSYYZZXSDRQWAZ-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979710189 717369590 /nfs/dbraw/zinc/36/95/90/717369590.db2.gz JSYYZZXSDRQWAZ-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885648 717834798 /nfs/dbraw/zinc/83/47/98/717834798.db2.gz HKOVTUUONBSTAT-PKOBYXMFSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885648 717834799 /nfs/dbraw/zinc/83/47/99/717834799.db2.gz HKOVTUUONBSTAT-PKOBYXMFSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711932 718101784 /nfs/dbraw/zinc/10/17/84/718101784.db2.gz NFKRAENZLKMGHI-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287066 718522888 /nfs/dbraw/zinc/52/28/88/718522888.db2.gz BTIKDTHFBHHXID-DLBZAZTESA-N 1 3 342.487 2.556 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287066 718522891 /nfs/dbraw/zinc/52/28/91/718522891.db2.gz BTIKDTHFBHHXID-DLBZAZTESA-N 1 3 342.487 2.556 20 30 EFEDHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289362 718530173 /nfs/dbraw/zinc/53/01/73/718530173.db2.gz ZHBZGZKEJZCNDK-VQTJNVASSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028092644 718708403 /nfs/dbraw/zinc/70/84/03/718708403.db2.gz BBDVPKIDGLNFQL-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028092644 718708407 /nfs/dbraw/zinc/70/84/07/718708407.db2.gz BBDVPKIDGLNFQL-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981539808 718798723 /nfs/dbraw/zinc/79/87/23/718798723.db2.gz YLISTUYDASZDJN-MSOLQXFVSA-N 1 3 329.488 2.955 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542233 718800118 /nfs/dbraw/zinc/80/01/18/718800118.db2.gz SOFFOFQCDHOATP-PMACEKPBSA-N 1 3 345.531 2.539 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542235 718800325 /nfs/dbraw/zinc/80/03/25/718800325.db2.gz SOFFOFQCDHOATP-UXHICEINSA-N 1 3 345.531 2.539 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981813959 719062560 /nfs/dbraw/zinc/06/25/60/719062560.db2.gz SGVQMADNTXSSSL-SFHVURJKSA-N 1 3 331.504 2.504 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC000981813959 719062563 /nfs/dbraw/zinc/06/25/63/719062563.db2.gz SGVQMADNTXSSSL-SFHVURJKSA-N 1 3 331.504 2.504 20 30 EFEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000981814614 719064085 /nfs/dbraw/zinc/06/40/85/719064085.db2.gz JXJMBWLUCKJRRL-IBGZPJMESA-N 1 3 333.520 2.894 20 30 EFEDHO C=CCCN1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000981814614 719064089 /nfs/dbraw/zinc/06/40/89/719064089.db2.gz JXJMBWLUCKJRRL-IBGZPJMESA-N 1 3 333.520 2.894 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627681 719248818 /nfs/dbraw/zinc/24/88/18/719248818.db2.gz AWVSEDNQSOKNPZ-ICSRJNTNSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627681 719248820 /nfs/dbraw/zinc/24/88/20/719248820.db2.gz AWVSEDNQSOKNPZ-ICSRJNTNSA-N 1 3 347.547 2.594 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628686 719251649 /nfs/dbraw/zinc/25/16/49/719251649.db2.gz TYYJOLZRVQMLLJ-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628686 719251650 /nfs/dbraw/zinc/25/16/50/719251650.db2.gz TYYJOLZRVQMLLJ-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629318 719253540 /nfs/dbraw/zinc/25/35/40/719253540.db2.gz FSOYLICFVARAQH-ROUUACIJSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629318 719253542 /nfs/dbraw/zinc/25/35/42/719253542.db2.gz FSOYLICFVARAQH-ROUUACIJSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629679 719254423 /nfs/dbraw/zinc/25/44/23/719254423.db2.gz IQBRSLFRUBGVRA-ICSRJNTNSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629679 719254424 /nfs/dbraw/zinc/25/44/24/719254424.db2.gz IQBRSLFRUBGVRA-ICSRJNTNSA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]12 ZINC001026426000 720553717 /nfs/dbraw/zinc/55/37/17/720553717.db2.gz IISMXTZDZFNGKP-YZGWKJHDSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982624001 720959956 /nfs/dbraw/zinc/95/99/56/720959956.db2.gz NWODZZKVRNMYDJ-SESVDKBCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982624001 720959958 /nfs/dbraw/zinc/95/99/58/720959958.db2.gz NWODZZKVRNMYDJ-SESVDKBCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830847 721301543 /nfs/dbraw/zinc/30/15/43/721301543.db2.gz BCBFCAHOEVPXJB-QGZVKYPTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982830847 721301546 /nfs/dbraw/zinc/30/15/46/721301546.db2.gz BCBFCAHOEVPXJB-QGZVKYPTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982831760 721304683 /nfs/dbraw/zinc/30/46/83/721304683.db2.gz QLCQIJFFMQLDBT-OYRHEFFESA-N 1 3 341.499 2.718 20 30 EFEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982831760 721304685 /nfs/dbraw/zinc/30/46/85/721304685.db2.gz QLCQIJFFMQLDBT-OYRHEFFESA-N 1 3 341.499 2.718 20 30 EFEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982834389 721308172 /nfs/dbraw/zinc/30/81/72/721308172.db2.gz XVHDUHOVMSHXHY-OYRHEFFESA-N 1 3 341.499 2.718 20 30 EFEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982834389 721308173 /nfs/dbraw/zinc/30/81/73/721308173.db2.gz XVHDUHOVMSHXHY-OYRHEFFESA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000640 722617952 /nfs/dbraw/zinc/61/79/52/722617952.db2.gz GRFHVBTWVDDVSN-SFHVURJKSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000640 722617953 /nfs/dbraw/zinc/61/79/53/722617953.db2.gz GRFHVBTWVDDVSN-SFHVURJKSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000912419613 727710010 /nfs/dbraw/zinc/71/00/10/727710010.db2.gz RCCAQKYQKOJGLW-IBGZPJMESA-N 1 3 348.535 2.685 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493684 727770805 /nfs/dbraw/zinc/77/08/05/727770805.db2.gz FCIVEUSHRQDTFL-YLJYHZDGSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)[C@@H]2C)CC1 ZINC000994493684 727770806 /nfs/dbraw/zinc/77/08/06/727770806.db2.gz FCIVEUSHRQDTFL-YLJYHZDGSA-N 1 3 347.547 2.737 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994503357 727772854 /nfs/dbraw/zinc/77/28/54/727772854.db2.gz VHXDRASYZLPVDV-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994503357 727772855 /nfs/dbraw/zinc/77/28/55/727772855.db2.gz VHXDRASYZLPVDV-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503541 727772887 /nfs/dbraw/zinc/77/28/87/727772887.db2.gz WDXWTPNCQIHFNE-HKUYNNGSSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503541 727772888 /nfs/dbraw/zinc/77/28/88/727772888.db2.gz WDXWTPNCQIHFNE-HKUYNNGSSA-N 1 3 347.547 2.737 20 30 EFEDHO COc1ccccc1CNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000170909618 728494267 /nfs/dbraw/zinc/49/42/67/728494267.db2.gz OQXNMELUQXLKGF-DNVCBOLYSA-N 1 3 332.492 2.610 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829349 728530659 /nfs/dbraw/zinc/53/06/59/728530659.db2.gz LAAQCRIIUKUKBM-RTBURBONSA-N 1 3 333.520 2.586 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000948829349 728530661 /nfs/dbraw/zinc/53/06/61/728530661.db2.gz LAAQCRIIUKUKBM-RTBURBONSA-N 1 3 333.520 2.586 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000948069848 729466628 /nfs/dbraw/zinc/46/66/28/729466628.db2.gz LAZWPDRVPRSGJA-MJGOQNOKSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H](C)C2)CC1 ZINC000948069848 729466631 /nfs/dbraw/zinc/46/66/31/729466631.db2.gz LAZWPDRVPRSGJA-MJGOQNOKSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070496 729475613 /nfs/dbraw/zinc/47/56/13/729475613.db2.gz PXWUQGZCFHZZAR-PXNSSMCTSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070496 729475615 /nfs/dbraw/zinc/47/56/15/729475615.db2.gz PXWUQGZCFHZZAR-PXNSSMCTSA-N 1 3 347.547 2.737 20 30 EFEDHO CC(C)[C@H]([NH3+])CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC001575838704 1088723545 /nfs/dbraw/zinc/72/35/45/1088723545.db2.gz KCGISBPQCKEVQE-GOSISDBHSA-N 1 3 325.460 2.927 20 30 EFEDHO N#CC(CCN1CCC(O)(C[NH3+])CC1)(c1ccccc1)c1ccccc1 ZINC001580036576 1090749933 /nfs/dbraw/zinc/74/99/33/1090749933.db2.gz ZILONHZUGGABMQ-UHFFFAOYSA-N 1 3 349.478 2.672 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448191 1092753835 /nfs/dbraw/zinc/75/38/35/1092753835.db2.gz QESYUXWPXBAYKM-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448191 1092753839 /nfs/dbraw/zinc/75/38/39/1092753839.db2.gz QESYUXWPXBAYKM-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449682 1092864261 /nfs/dbraw/zinc/86/42/61/1092864261.db2.gz PAVRAVLNSIVNLV-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449682 1092864269 /nfs/dbraw/zinc/86/42/69/1092864269.db2.gz PAVRAVLNSIVNLV-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458762 1093233194 /nfs/dbraw/zinc/23/31/94/1093233194.db2.gz PEZVJEXEEKZXSJ-QUCCMNQESA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458762 1093233202 /nfs/dbraw/zinc/23/32/02/1093233202.db2.gz PEZVJEXEEKZXSJ-QUCCMNQESA-N 1 3 347.547 2.691 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458990 1093238696 /nfs/dbraw/zinc/23/86/96/1093238696.db2.gz VMFQAUZEEUSXJV-MJGOQNOKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458990 1093238703 /nfs/dbraw/zinc/23/87/03/1093238703.db2.gz VMFQAUZEEUSXJV-MJGOQNOKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461864 1093333227 /nfs/dbraw/zinc/33/32/27/1093333227.db2.gz VCLDHXXGTDHDPL-IBGZPJMESA-N 1 3 347.547 2.999 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461864 1093333234 /nfs/dbraw/zinc/33/32/34/1093333234.db2.gz VCLDHXXGTDHDPL-IBGZPJMESA-N 1 3 347.547 2.999 20 30 EFEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001104802643 1098626691 /nfs/dbraw/zinc/62/66/91/1098626691.db2.gz IAUYTLXWWFWYNN-RTBURBONSA-N 1 3 335.536 2.596 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268783 1099011776 /nfs/dbraw/zinc/01/17/76/1099011776.db2.gz VSCWUKQWFWAJER-HLIPFELVSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268783 1099011790 /nfs/dbraw/zinc/01/17/90/1099011790.db2.gz VSCWUKQWFWAJER-HLIPFELVSA-N 1 3 333.520 2.606 20 30 EFEDHO CN(C)/C=N/c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1C#N ZINC001167986686 1099560425 /nfs/dbraw/zinc/56/04/25/1099560425.db2.gz DDSJMDSWMPOVHW-YDZHTSKRSA-N 1 3 347.422 2.930 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001105394453 1100417450 /nfs/dbraw/zinc/41/74/50/1100417450.db2.gz XEAWXURFDDNLFJ-GOSISDBHSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001105394453 1100417452 /nfs/dbraw/zinc/41/74/52/1100417452.db2.gz XEAWXURFDDNLFJ-GOSISDBHSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271092704 1100468864 /nfs/dbraw/zinc/46/88/64/1100468864.db2.gz JGJVOKKMUXVAHT-HOTGVXAUSA-N 1 3 345.478 2.612 20 30 EFEDHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271092704 1100468867 /nfs/dbraw/zinc/46/88/67/1100468867.db2.gz JGJVOKKMUXVAHT-HOTGVXAUSA-N 1 3 345.478 2.612 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966485 1101094998 /nfs/dbraw/zinc/09/49/98/1101094998.db2.gz FNNBPKQVHHXXCN-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966485 1101095001 /nfs/dbraw/zinc/09/50/01/1101095001.db2.gz FNNBPKQVHHXXCN-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506864 1102442191 /nfs/dbraw/zinc/44/21/91/1102442191.db2.gz IYYHAXCKDYKGBL-PXNSSMCTSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001088317339 1102883111 /nfs/dbraw/zinc/88/31/11/1102883111.db2.gz ZARLQLIPYKBOQX-IXDOHACOSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317339 1102883119 /nfs/dbraw/zinc/88/31/19/1102883119.db2.gz ZARLQLIPYKBOQX-IXDOHACOSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001088323583 1102914688 /nfs/dbraw/zinc/91/46/88/1102914688.db2.gz SUCVQAULYYBCNF-IRXDYDNUSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001088323583 1102914696 /nfs/dbraw/zinc/91/46/96/1102914696.db2.gz SUCVQAULYYBCNF-IRXDYDNUSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341502 1103025271 /nfs/dbraw/zinc/02/52/71/1103025271.db2.gz JHNUQDVVZZHFOK-MRXNPFEDSA-N 1 3 339.911 2.728 20 30 EFEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001105536925 1105905546 /nfs/dbraw/zinc/90/55/46/1105905546.db2.gz KUFAEEUSUZBTRM-RBUKOAKNSA-N 1 3 345.531 2.633 20 30 EFEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105560876 1105938957 /nfs/dbraw/zinc/93/89/57/1105938957.db2.gz FBCQGSBESFYYSE-QZTJIDSGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563292 1105942633 /nfs/dbraw/zinc/94/26/33/1105942633.db2.gz IWYNHMZHMKPJLO-ZWKOTPCHSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CCC[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168326716 1106870900 /nfs/dbraw/zinc/87/09/00/1106870900.db2.gz DXHBEJQQWBRQJJ-UHFFFAOYSA-N 1 3 329.488 2.814 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089059088 1107378971 /nfs/dbraw/zinc/37/89/71/1107378971.db2.gz YYPNKIRXVNAUNU-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089059088 1107378986 /nfs/dbraw/zinc/37/89/86/1107378986.db2.gz YYPNKIRXVNAUNU-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168346487 1107390084 /nfs/dbraw/zinc/39/00/84/1107390084.db2.gz ZTURXKSPWAEPRJ-MRXNPFEDSA-N 1 3 341.927 2.735 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229251 1111563730 /nfs/dbraw/zinc/56/37/30/1111563730.db2.gz ICMLIISLKLXSAO-QZTJIDSGSA-N 1 3 335.536 2.737 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666813 1111709225 /nfs/dbraw/zinc/70/92/25/1111709225.db2.gz WNBTXAHBLVFHMC-GUDVDZBRSA-N 1 3 337.552 2.983 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511351 1112255962 /nfs/dbraw/zinc/25/59/62/1112255962.db2.gz RJROUOONIJKPPE-MOPGFXCFSA-N 1 3 347.547 2.879 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511351 1112255965 /nfs/dbraw/zinc/25/59/65/1112255965.db2.gz RJROUOONIJKPPE-MOPGFXCFSA-N 1 3 347.547 2.879 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719300 1112939357 /nfs/dbraw/zinc/93/93/57/1112939357.db2.gz AUXPVOWDYRAETQ-LJQANCHMSA-N 1 3 347.547 2.901 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497839 1118621355 /nfs/dbraw/zinc/62/13/55/1118621355.db2.gz QRYASBHUIMOQKA-RDGPPVDQSA-N 1 3 347.547 2.852 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497839 1118621357 /nfs/dbraw/zinc/62/13/57/1118621357.db2.gz QRYASBHUIMOQKA-RDGPPVDQSA-N 1 3 347.547 2.852 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029127 1120520739 /nfs/dbraw/zinc/52/07/39/1120520739.db2.gz QQMDVHAQGOUGQA-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029127 1120520740 /nfs/dbraw/zinc/52/07/40/1120520740.db2.gz QQMDVHAQGOUGQA-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C[N@H+](CCNC1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181709293 529917137 /nfs/dbraw/zinc/91/71/37/529917137.db2.gz ZFZWCBFJURVTCZ-UHFFFAOYSA-N 1 3 340.515 2.987 20 30 EFEDHO C[N@@H+](CCNC1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000181709293 529917139 /nfs/dbraw/zinc/91/71/39/529917139.db2.gz ZFZWCBFJURVTCZ-UHFFFAOYSA-N 1 3 340.515 2.987 20 30 EFEDHO C#CCCOc1ccc(C[NH2+]CCCCN2CCN(CC)CC2)cc1 ZINC000264943612 201214449 /nfs/dbraw/zinc/21/44/49/201214449.db2.gz HIUXLVCDZNPJLT-UHFFFAOYSA-N 1 3 343.515 2.596 20 30 EFEDHO C[NH+]=C(NCC1(N2CCCCC2)CCCCC1)N(C)Cc1ccon1 ZINC000261738227 240320903 /nfs/dbraw/zinc/32/09/03/240320903.db2.gz KIWPKTGAADCCNC-UHFFFAOYSA-N 1 3 347.507 2.871 20 30 EFEDHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074131 242088412 /nfs/dbraw/zinc/08/84/12/242088412.db2.gz FWLLHHAIPODBMQ-KRWDZBQOSA-N 1 3 348.535 2.581 20 30 EFEDHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074131 242088417 /nfs/dbraw/zinc/08/84/17/242088417.db2.gz FWLLHHAIPODBMQ-KRWDZBQOSA-N 1 3 348.535 2.581 20 30 EFEDHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000361459950 242223249 /nfs/dbraw/zinc/22/32/49/242223249.db2.gz OOMPRLFGNVHSGA-HKUYNNGSSA-N 1 3 345.487 2.816 20 30 EFEDHO C[C@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000433298578 248039902 /nfs/dbraw/zinc/03/99/02/248039902.db2.gz AHLODIAUMOZFBZ-IEBWSBKVSA-N 1 3 327.472 2.997 20 30 EFEDHO C[C@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000433298579 248040220 /nfs/dbraw/zinc/04/02/20/248040220.db2.gz AHLODIAUMOZFBZ-MJGOQNOKSA-N 1 3 327.472 2.997 20 30 EFEDHO N#C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000442778106 250115731 /nfs/dbraw/zinc/11/57/31/250115731.db2.gz JYFDFRLGGBUBFA-MOPGFXCFSA-N 1 3 326.488 2.871 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443063512 250155144 /nfs/dbraw/zinc/15/51/44/250155144.db2.gz WSNNATQTDAZIGE-JKSUJKDBSA-N 1 3 335.517 2.712 20 30 EFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1F ZINC000349082760 285251049 /nfs/dbraw/zinc/25/10/49/285251049.db2.gz XNYSTUSCMXYUJH-GOSISDBHSA-N 1 3 332.467 2.545 20 30 EFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1F ZINC000349082760 285251050 /nfs/dbraw/zinc/25/10/50/285251050.db2.gz XNYSTUSCMXYUJH-GOSISDBHSA-N 1 3 332.467 2.545 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536181 151364216 /nfs/dbraw/zinc/36/42/16/151364216.db2.gz VYPRGIYWAWJYQU-LJQANCHMSA-N 1 3 326.488 2.945 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000374536181 151364218 /nfs/dbraw/zinc/36/42/18/151364218.db2.gz VYPRGIYWAWJYQU-LJQANCHMSA-N 1 3 326.488 2.945 20 30 EFEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424142472 287355788 /nfs/dbraw/zinc/35/57/88/287355788.db2.gz YHJQCOMXABQZTJ-APWZRJJASA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424142472 287355790 /nfs/dbraw/zinc/35/57/90/287355790.db2.gz YHJQCOMXABQZTJ-APWZRJJASA-N 1 3 342.487 2.556 20 30 EFEDHO C#CCOc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000113323733 544568874 /nfs/dbraw/zinc/56/88/74/544568874.db2.gz WQLKRJGVHAAAGZ-UHFFFAOYSA-N 1 3 338.451 2.929 20 30 EFEDHO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)nc1 ZINC000271547711 268165052 /nfs/dbraw/zinc/16/50/52/268165052.db2.gz RTZQHOAOWDMVSZ-IAFLDTSXSA-N 1 3 340.471 2.860 20 30 EFEDHO CN1CCN(CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000567163431 319144211 /nfs/dbraw/zinc/14/42/11/319144211.db2.gz ICNDBIBPMKMPIL-OAQYLSRUSA-N 1 3 340.515 2.943 20 30 EFEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843965 472484200 /nfs/dbraw/zinc/48/42/00/472484200.db2.gz BLBYUHIBWBPFSK-QGZVFWFLSA-N 1 3 329.488 2.521 20 30 EFEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843965 472484204 /nfs/dbraw/zinc/48/42/04/472484204.db2.gz BLBYUHIBWBPFSK-QGZVFWFLSA-N 1 3 329.488 2.521 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCC(C)(C)N2CCC[C@@H](C)C2)cc1OC ZINC000104178962 472659923 /nfs/dbraw/zinc/65/99/23/472659923.db2.gz UIPUHJRTLQZMPT-CQSZACIVSA-N 1 3 348.491 2.941 20 30 EFEDHO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000132894601 472761061 /nfs/dbraw/zinc/76/10/61/472761061.db2.gz OBHDHDKFPHUISM-QZTJIDSGSA-N 1 3 342.483 2.850 20 30 EFEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000132894436 472761478 /nfs/dbraw/zinc/76/14/78/472761478.db2.gz OBHDHDKFPHUISM-ZWKOTPCHSA-N 1 3 342.483 2.850 20 30 EFEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132893999 472761556 /nfs/dbraw/zinc/76/15/56/472761556.db2.gz OBHDHDKFPHUISM-ROUUACIJSA-N 1 3 342.483 2.850 20 30 EFEDHO C=C(C)COCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134506687 472919784 /nfs/dbraw/zinc/91/97/84/472919784.db2.gz HXYPUBNUNFYPTL-UHFFFAOYSA-N 1 3 331.504 2.899 20 30 EFEDHO C#CCOc1ccc([C@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159102586 472999626 /nfs/dbraw/zinc/99/96/26/472999626.db2.gz JSRLNHLPTWSHKP-KRWDZBQOSA-N 1 3 330.472 2.850 20 30 EFEDHO C#CCOc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735090 473136076 /nfs/dbraw/zinc/13/60/76/473136076.db2.gz OBPISJUGWBSJIG-UHFFFAOYSA-N 1 3 342.483 2.775 20 30 EFEDHO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185697078 473490741 /nfs/dbraw/zinc/49/07/41/473490741.db2.gz PHYRUFBBZAGJCJ-QSFXBCCZSA-N 1 3 327.472 2.834 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954889 473557656 /nfs/dbraw/zinc/55/76/56/473557656.db2.gz DLWKNWGDWDHRDG-GJZGRUSLSA-N 1 3 342.409 2.721 20 30 EFEDHO Cc1cc(C#N)ccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000186247673 473627552 /nfs/dbraw/zinc/62/75/52/473627552.db2.gz JCYSFSKYUJYKME-UHFFFAOYSA-N 1 3 327.472 2.944 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000180989357 473996142 /nfs/dbraw/zinc/99/61/42/473996142.db2.gz MXOLDHIMTFNBRM-NRFANRHFSA-N 1 3 335.451 2.805 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000180989357 473996147 /nfs/dbraw/zinc/99/61/47/473996147.db2.gz MXOLDHIMTFNBRM-NRFANRHFSA-N 1 3 335.451 2.805 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000174244448 474011927 /nfs/dbraw/zinc/01/19/27/474011927.db2.gz FJNDSTWFTHAAFP-UHFFFAOYSA-N 1 3 338.540 2.835 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622834 474218764 /nfs/dbraw/zinc/21/87/64/474218764.db2.gz VAHXIDVIFXXFSR-DLBZAZTESA-N 1 3 348.535 2.589 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622834 474218771 /nfs/dbraw/zinc/21/87/71/474218771.db2.gz VAHXIDVIFXXFSR-DLBZAZTESA-N 1 3 348.535 2.589 20 30 EFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189996276 474531415 /nfs/dbraw/zinc/53/14/15/474531415.db2.gz DISSSYZJQNNITI-BEFAXECRSA-N 1 3 333.451 2.924 20 30 EFEDHO COc1ccc(CNCC2=CC[N@H+](C)CC2)cc1OCCCC#N ZINC000271922537 474597886 /nfs/dbraw/zinc/59/78/86/474597886.db2.gz UTQHQNNZYLKSQM-UHFFFAOYSA-N 1 3 329.444 2.729 20 30 EFEDHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1OCCCC#N ZINC000271922537 474597887 /nfs/dbraw/zinc/59/78/87/474597887.db2.gz UTQHQNNZYLKSQM-UHFFFAOYSA-N 1 3 329.444 2.729 20 30 EFEDHO CN(C)C(=[NH+]CCCOC1CCN(Cc2ccccc2)CC1)N(C)C ZINC000267266117 474632571 /nfs/dbraw/zinc/63/25/71/474632571.db2.gz DIFOFZDXMAROQH-UHFFFAOYSA-N 1 3 346.519 2.537 20 30 EFEDHO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)CN(C)C ZINC000291707684 474654779 /nfs/dbraw/zinc/65/47/79/474654779.db2.gz LAJPDZFRHSSJRH-INIZCTEOSA-N 1 3 325.460 2.751 20 30 EFEDHO CCc1cccc(NC(=[NH2+])NCC2(N3CCCC3)CCOCC2)c1 ZINC000267463548 474671605 /nfs/dbraw/zinc/67/16/05/474671605.db2.gz VTVMZIJVLMOODG-UHFFFAOYSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCN1CC[C@@H](N2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1=O ZINC000337156221 474744364 /nfs/dbraw/zinc/74/43/64/474744364.db2.gz ADHTWYNXZMUGPL-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCN1CC[C@@H](N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1=O ZINC000337156221 474744371 /nfs/dbraw/zinc/74/43/71/474744371.db2.gz ADHTWYNXZMUGPL-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000337221326 474795478 /nfs/dbraw/zinc/79/54/78/474795478.db2.gz LFKNSIBIGOMTMA-UHFFFAOYSA-N 1 3 348.878 2.958 20 30 EFEDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000337221326 474795484 /nfs/dbraw/zinc/79/54/84/474795484.db2.gz LFKNSIBIGOMTMA-UHFFFAOYSA-N 1 3 348.878 2.958 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679594 474985931 /nfs/dbraw/zinc/98/59/31/474985931.db2.gz DVUYAEOVPPYCGE-LPHOPBHVSA-N 1 3 338.455 2.621 20 30 EFEDHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679594 474985940 /nfs/dbraw/zinc/98/59/40/474985940.db2.gz DVUYAEOVPPYCGE-LPHOPBHVSA-N 1 3 338.455 2.621 20 30 EFEDHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459423 475025359 /nfs/dbraw/zinc/02/53/59/475025359.db2.gz SFPDSAYHECDTCC-RTBURBONSA-N 1 3 338.455 2.573 20 30 EFEDHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459423 475025363 /nfs/dbraw/zinc/02/53/63/475025363.db2.gz SFPDSAYHECDTCC-RTBURBONSA-N 1 3 338.455 2.573 20 30 EFEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000280836354 475052035 /nfs/dbraw/zinc/05/20/35/475052035.db2.gz OQDUMYKYGXSBTJ-LJQANCHMSA-N 1 3 338.455 2.623 20 30 EFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281893 475058654 /nfs/dbraw/zinc/05/86/54/475058654.db2.gz VUNVYGVMSDWOCY-QUCCMNQESA-N 1 3 326.488 2.989 20 30 EFEDHO C[NH+](C)Cc1cccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000280967482 475059212 /nfs/dbraw/zinc/05/92/12/475059212.db2.gz YTRZQKVWKXESMB-HXUWFJFHSA-N 1 3 346.434 2.619 20 30 EFEDHO C=CC[NH+]1CCC(NC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000345301996 475074921 /nfs/dbraw/zinc/07/49/21/475074921.db2.gz CJGGPXDJTSECEN-UHFFFAOYSA-N 1 3 336.439 2.627 20 30 EFEDHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326919 475233202 /nfs/dbraw/zinc/23/32/02/475233202.db2.gz XKYWBRMJUFHXLM-WDYCEAGBSA-N 1 3 344.478 2.986 20 30 EFEDHO CC[N@H+]1CC[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 ZINC000347326919 475233209 /nfs/dbraw/zinc/23/32/09/475233209.db2.gz XKYWBRMJUFHXLM-WDYCEAGBSA-N 1 3 344.478 2.986 20 30 EFEDHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346117453 475560436 /nfs/dbraw/zinc/56/04/36/475560436.db2.gz KGPTUPMBXYOCTQ-NEWSRXKRSA-N 1 3 325.456 2.844 20 30 EFEDHO CC(C)[NH+](CCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000348394005 475638531 /nfs/dbraw/zinc/63/85/31/475638531.db2.gz BYDZKLHVKKNEJF-IBGZPJMESA-N 1 3 340.471 2.818 20 30 EFEDHO C=CCN1CCC(NC(=O)N(CCC)CC[NH+]2CCCCC2)CC1 ZINC000352912335 475665532 /nfs/dbraw/zinc/66/55/32/475665532.db2.gz NDELYRIQGRVONA-UHFFFAOYSA-N 1 3 336.524 2.544 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCCC[C@H]3O)CC1)CC2 ZINC000353241191 475797703 /nfs/dbraw/zinc/79/77/03/475797703.db2.gz LHRIFGACKDMRII-NJDAHSKKSA-N 1 3 339.483 2.903 20 30 EFEDHO CC(C#N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000347107166 476098938 /nfs/dbraw/zinc/09/89/38/476098938.db2.gz MNHRCZKEEKFNNA-KRWDZBQOSA-N 1 3 327.472 2.997 20 30 EFEDHO C=CC[NH+]1CCC(NCc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298458049 476100372 /nfs/dbraw/zinc/10/03/72/476100372.db2.gz OFJDIDJZROYLOI-KRWDZBQOSA-N 1 3 329.488 2.652 20 30 EFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000360838622 476419955 /nfs/dbraw/zinc/41/99/55/476419955.db2.gz UZDUFMVNMKVHPY-HXUWFJFHSA-N 1 3 327.472 2.762 20 30 EFEDHO C#Cc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000377687707 476521625 /nfs/dbraw/zinc/52/16/25/476521625.db2.gz ASTXMTTXYOFRJK-UHFFFAOYSA-N 1 3 325.500 2.517 20 30 EFEDHO C=CCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708526 476945263 /nfs/dbraw/zinc/94/52/63/476945263.db2.gz QBGPLKUDJBJPFD-RXVVDRJESA-N 1 3 343.515 2.709 20 30 EFEDHO C=CCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370708526 476945269 /nfs/dbraw/zinc/94/52/69/476945269.db2.gz QBGPLKUDJBJPFD-RXVVDRJESA-N 1 3 343.515 2.709 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000423277202 476982466 /nfs/dbraw/zinc/98/24/66/476982466.db2.gz NXBMVOCICJSHOR-AZUAARDMSA-N 1 3 326.488 2.630 20 30 EFEDHO CC1(C)CCCN[C@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423394294 477015460 /nfs/dbraw/zinc/01/54/60/477015460.db2.gz RYNJXXXRAGKAEK-FQEVSTJZSA-N 1 3 340.515 2.890 20 30 EFEDHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423394294 477015469 /nfs/dbraw/zinc/01/54/69/477015469.db2.gz RYNJXXXRAGKAEK-FQEVSTJZSA-N 1 3 340.515 2.890 20 30 EFEDHO C[C@H]1CN(CCC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000411421607 477229657 /nfs/dbraw/zinc/22/96/57/477229657.db2.gz BFCDDXCGIVGOBI-SFHVURJKSA-N 1 3 332.536 2.951 20 30 EFEDHO C[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000411419622 477229912 /nfs/dbraw/zinc/22/99/12/477229912.db2.gz TXOMTHLJZSPHGP-OALUTQOASA-N 1 3 332.536 2.808 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424132549 477303324 /nfs/dbraw/zinc/30/33/24/477303324.db2.gz KWPJQZXEXQVTIW-QFBILLFUSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424132549 477303333 /nfs/dbraw/zinc/30/33/33/477303333.db2.gz KWPJQZXEXQVTIW-QFBILLFUSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424132544 477303627 /nfs/dbraw/zinc/30/36/27/477303627.db2.gz KWPJQZXEXQVTIW-APWZRJJASA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424132544 477303634 /nfs/dbraw/zinc/30/36/34/477303634.db2.gz KWPJQZXEXQVTIW-APWZRJJASA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424139355 477305461 /nfs/dbraw/zinc/30/54/61/477305461.db2.gz VDJBNPCBCDIDRQ-QFBILLFUSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424139355 477305466 /nfs/dbraw/zinc/30/54/66/477305466.db2.gz VDJBNPCBCDIDRQ-QFBILLFUSA-N 1 3 342.487 2.556 20 30 EFEDHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424143581 477306295 /nfs/dbraw/zinc/30/62/95/477306295.db2.gz ZUTAYFRHGYNLHX-LJQANCHMSA-N 1 3 342.487 2.556 20 30 EFEDHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)CC1 ZINC000424141234 477306969 /nfs/dbraw/zinc/30/69/69/477306969.db2.gz WYHLYAODIHKQQL-SFHVURJKSA-N 1 3 328.460 2.878 20 30 EFEDHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424143580 477307029 /nfs/dbraw/zinc/30/70/29/477307029.db2.gz ZUTAYFRHGYNLHX-IBGZPJMESA-N 1 3 342.487 2.556 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160151 477313665 /nfs/dbraw/zinc/31/36/65/477313665.db2.gz TUUPYKDMLMGCTQ-QXAKKESOSA-N 1 3 342.487 2.692 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424160151 477313674 /nfs/dbraw/zinc/31/36/74/477313674.db2.gz TUUPYKDMLMGCTQ-QXAKKESOSA-N 1 3 342.487 2.692 20 30 EFEDHO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000435743470 477361985 /nfs/dbraw/zinc/36/19/85/477361985.db2.gz ACTRAJNZECJEIJ-CTNGQTDRSA-N 1 3 343.515 2.899 20 30 EFEDHO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000435743472 477364200 /nfs/dbraw/zinc/36/42/00/477364200.db2.gz ACTRAJNZECJEIJ-PZJWPPBQSA-N 1 3 343.515 2.899 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417539746 477455776 /nfs/dbraw/zinc/45/57/76/477455776.db2.gz ONAHZBXMPIGXIL-HKUYNNGSSA-N 1 3 348.535 2.591 20 30 EFEDHO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000367965189 477773949 /nfs/dbraw/zinc/77/39/49/477773949.db2.gz LMTAEFGIDCZIJG-VQTJNVASSA-N 1 3 334.467 2.851 20 30 EFEDHO Cn1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000367965189 477773953 /nfs/dbraw/zinc/77/39/53/477773953.db2.gz LMTAEFGIDCZIJG-VQTJNVASSA-N 1 3 334.467 2.851 20 30 EFEDHO COc1cc(C#N)ccc1OCCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000525422765 478393896 /nfs/dbraw/zinc/39/38/96/478393896.db2.gz PXAQJKUJQKFDCB-UHFFFAOYSA-N 1 3 345.487 2.998 20 30 EFEDHO COc1cc(C#N)ccc1OCCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000525422765 478393903 /nfs/dbraw/zinc/39/39/03/478393903.db2.gz PXAQJKUJQKFDCB-UHFFFAOYSA-N 1 3 345.487 2.998 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000563205451 478480693 /nfs/dbraw/zinc/48/06/93/478480693.db2.gz GFIIWLJYKCJVSO-SJLPKXTDSA-N 1 3 334.508 2.511 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000563205451 478480699 /nfs/dbraw/zinc/48/06/99/478480699.db2.gz GFIIWLJYKCJVSO-SJLPKXTDSA-N 1 3 334.508 2.511 20 30 EFEDHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141048 478520985 /nfs/dbraw/zinc/52/09/85/478520985.db2.gz WQWOBKOHEIGBNS-MOPGFXCFSA-N 1 3 338.455 2.573 20 30 EFEDHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141048 478520997 /nfs/dbraw/zinc/52/09/97/478520997.db2.gz WQWOBKOHEIGBNS-MOPGFXCFSA-N 1 3 338.455 2.573 20 30 EFEDHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572053 478583049 /nfs/dbraw/zinc/58/30/49/478583049.db2.gz IRCDMDBSHUXWIA-XTVVNEHGSA-N 1 3 343.471 2.590 20 30 EFEDHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570791 478583115 /nfs/dbraw/zinc/58/31/15/478583115.db2.gz OHEWISPXKMEPJU-LPHOPBHVSA-N 1 3 341.503 2.822 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000591582322 478584453 /nfs/dbraw/zinc/58/44/53/478584453.db2.gz HXPVBXSXOLJBCN-FQEVSTJZSA-N 1 3 338.499 2.787 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000503911062 478848577 /nfs/dbraw/zinc/84/85/77/478848577.db2.gz OYONKEVYEVVTHA-UHFFFAOYSA-N 1 3 338.540 2.787 20 30 EFEDHO N#Cc1ccc(N2CCC(NCc3ccc(C[NH3+])cc3F)CC2)cc1 ZINC000593320760 479293738 /nfs/dbraw/zinc/29/37/38/479293738.db2.gz FZTLBOJEONLGKE-UHFFFAOYSA-N 1 3 338.430 2.915 20 30 EFEDHO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCCCN1 ZINC000593323105 479295204 /nfs/dbraw/zinc/29/52/04/479295204.db2.gz PRXFFHWWGDOVOE-OXQOHEQNSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000593323105 479295209 /nfs/dbraw/zinc/29/52/09/479295209.db2.gz PRXFFHWWGDOVOE-OXQOHEQNSA-N 1 3 326.488 2.643 20 30 EFEDHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390621 479365292 /nfs/dbraw/zinc/36/52/92/479365292.db2.gz LNZSQJVLGBVWFV-HXUWFJFHSA-N 1 3 326.488 2.553 20 30 EFEDHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390432 479365658 /nfs/dbraw/zinc/36/56/58/479365658.db2.gz AIRPEJVRBLISMW-FQEVSTJZSA-N 1 3 326.488 2.551 20 30 EFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000602516516 479378130 /nfs/dbraw/zinc/37/81/30/479378130.db2.gz MQDGBJVKOQBJJB-KRWDZBQOSA-N 1 3 345.487 2.816 20 30 EFEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC000654431778 481868400 /nfs/dbraw/zinc/86/84/00/481868400.db2.gz ZHXOXFCJPPFLBJ-UHFFFAOYSA-N 1 3 336.524 2.543 20 30 EFEDHO C=CCN1CCC([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000177904799 526454799 /nfs/dbraw/zinc/45/47/99/526454799.db2.gz GJZYGPWRGIQPDY-QGZVFWFLSA-N 1 3 331.504 2.928 20 30 EFEDHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425529194 535199464 /nfs/dbraw/zinc/19/94/64/535199464.db2.gz AWYFRNFVWGOZDG-SFHVURJKSA-N 1 3 328.504 2.967 20 30 EFEDHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425529194 535199469 /nfs/dbraw/zinc/19/94/69/535199469.db2.gz AWYFRNFVWGOZDG-SFHVURJKSA-N 1 3 328.504 2.967 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1oc2ccc(F)cc2c1C ZINC000262005385 535596597 /nfs/dbraw/zinc/59/65/97/535596597.db2.gz REPBEHODDBLLIY-AWEZNQCLSA-N 1 3 332.423 2.769 20 30 EFEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000658033250 547340017 /nfs/dbraw/zinc/34/00/17/547340017.db2.gz CVJBNYOSIQSEKX-RTBURBONSA-N 1 3 335.536 2.508 20 30 EFEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000658033249 547340214 /nfs/dbraw/zinc/34/02/14/547340214.db2.gz CVJBNYOSIQSEKX-RBUKOAKNSA-N 1 3 335.536 2.508 20 30 EFEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769515489 577369114 /nfs/dbraw/zinc/36/91/14/577369114.db2.gz QYMKHGPUNJKCCZ-XLIONFOSSA-N 1 3 345.487 2.910 20 30 EFEDHO C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771853246 581250674 /nfs/dbraw/zinc/25/06/74/581250674.db2.gz MINAQBUNCPAFEF-UHFFFAOYSA-N 1 3 349.478 2.740 20 30 EFEDHO CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707223 1250832198 /nfs/dbraw/zinc/83/21/98/1250832198.db2.gz MVHLMPHUSCNTDO-UXHICEINSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707223 1250832216 /nfs/dbraw/zinc/83/22/16/1250832216.db2.gz MVHLMPHUSCNTDO-UXHICEINSA-N 1 3 347.547 2.835 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683660 1252159813 /nfs/dbraw/zinc/15/98/13/1252159813.db2.gz CGCMNPMWUWONFP-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683660 1252159816 /nfs/dbraw/zinc/15/98/16/1252159816.db2.gz CGCMNPMWUWONFP-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299983 1255184407 /nfs/dbraw/zinc/18/44/07/1255184407.db2.gz HWULHVLJTYLFHY-HNAYVOBHSA-N 1 3 339.499 2.602 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439063 1255822134 /nfs/dbraw/zinc/82/21/34/1255822134.db2.gz PZSKPRNWWTVXCS-WSTZPKSXSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439063 1255822144 /nfs/dbraw/zinc/82/21/44/1255822144.db2.gz PZSKPRNWWTVXCS-WSTZPKSXSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495236 1255976907 /nfs/dbraw/zinc/97/69/07/1255976907.db2.gz LEXILRMPUZIKQS-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495236 1255976913 /nfs/dbraw/zinc/97/69/13/1255976913.db2.gz LEXILRMPUZIKQS-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566566 1256154367 /nfs/dbraw/zinc/15/43/67/1256154367.db2.gz AGYODYDQVDFFAC-QKNQBKEWSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566566 1256154372 /nfs/dbraw/zinc/15/43/72/1256154372.db2.gz AGYODYDQVDFFAC-QKNQBKEWSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566598 1256155067 /nfs/dbraw/zinc/15/50/67/1256155067.db2.gz BQJXSEVWNGNLJV-SFHLNBCPSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566598 1256155070 /nfs/dbraw/zinc/15/50/70/1256155070.db2.gz BQJXSEVWNGNLJV-SFHLNBCPSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621025 1256318831 /nfs/dbraw/zinc/31/88/31/1256318831.db2.gz HVPFUSQEQMXZLH-IEBWSBKVSA-N 1 3 330.476 2.588 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621025 1256318835 /nfs/dbraw/zinc/31/88/35/1256318835.db2.gz HVPFUSQEQMXZLH-IEBWSBKVSA-N 1 3 330.476 2.588 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000997006507 1256668185 /nfs/dbraw/zinc/66/81/85/1256668185.db2.gz MHIMYTZATLESNK-QGZVFWFLSA-N 1 3 345.890 2.532 20 30 EFEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC000997387892 1257562282 /nfs/dbraw/zinc/56/22/82/1257562282.db2.gz QWKJZHCKTIDRFS-QUCCMNQESA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997617384 1258120206 /nfs/dbraw/zinc/12/02/06/1258120206.db2.gz GBISEKDWFIBWHF-PXNSSMCTSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997617384 1258120207 /nfs/dbraw/zinc/12/02/07/1258120207.db2.gz GBISEKDWFIBWHF-PXNSSMCTSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000998190478 1259213398 /nfs/dbraw/zinc/21/33/98/1259213398.db2.gz QDBBKXHDYZAQIZ-FQEVSTJZSA-N 1 3 341.499 2.698 20 30 EFEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819063 1262362792 /nfs/dbraw/zinc/36/27/92/1262362792.db2.gz IDHZTMXBJKVNEL-ROUUACIJSA-N 1 3 327.472 2.565 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001486201163 1262784995 /nfs/dbraw/zinc/78/49/95/1262784995.db2.gz QYLCKQAIALBNRZ-JKSUJKDBSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346728 1263843162 /nfs/dbraw/zinc/84/31/62/1263843162.db2.gz YSRKFNKEXYKAKE-QWFCFKBJSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346728 1263843186 /nfs/dbraw/zinc/84/31/86/1263843186.db2.gz YSRKFNKEXYKAKE-QWFCFKBJSA-N 1 3 345.531 2.750 20 30 EFEDHO CCCCCCCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483139 1264357365 /nfs/dbraw/zinc/35/73/65/1264357365.db2.gz CNTXKYWCPQCIOQ-IAGOWNOFSA-N 1 3 341.540 2.503 20 30 EFEDHO CCCCCCCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212483139 1264357377 /nfs/dbraw/zinc/35/73/77/1264357377.db2.gz CNTXKYWCPQCIOQ-IAGOWNOFSA-N 1 3 341.540 2.503 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997984 1264874885 /nfs/dbraw/zinc/87/48/85/1264874885.db2.gz LOAAAYYQCCIPRY-HOJAQTOUSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997984 1264874896 /nfs/dbraw/zinc/87/48/96/1264874896.db2.gz LOAAAYYQCCIPRY-HOJAQTOUSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]21 ZINC001085101205 1265143885 /nfs/dbraw/zinc/14/38/85/1265143885.db2.gz GIRCLOQTAWCABE-QYZOEREBSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456780 1267085620 /nfs/dbraw/zinc/08/56/20/1267085620.db2.gz HYTJPQKFMRFVAJ-OALUTQOASA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456780 1267085630 /nfs/dbraw/zinc/08/56/30/1267085630.db2.gz HYTJPQKFMRFVAJ-OALUTQOASA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458703 1267094717 /nfs/dbraw/zinc/09/47/17/1267094717.db2.gz QDWACVPJHMAVLY-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458703 1267094720 /nfs/dbraw/zinc/09/47/20/1267094720.db2.gz QDWACVPJHMAVLY-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474480 1267122068 /nfs/dbraw/zinc/12/20/68/1267122068.db2.gz OVNDRFJWKXDXTK-IAGOWNOFSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474480 1267122074 /nfs/dbraw/zinc/12/20/74/1267122074.db2.gz OVNDRFJWKXDXTK-IAGOWNOFSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004549245 1267275709 /nfs/dbraw/zinc/27/57/09/1267275709.db2.gz VTSVBUGDBOVGCR-OALUTQOASA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004549245 1267275717 /nfs/dbraw/zinc/27/57/17/1267275717.db2.gz VTSVBUGDBOVGCR-OALUTQOASA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585547 1267341859 /nfs/dbraw/zinc/34/18/59/1267341859.db2.gz GSSVVQSOVFIUNB-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585547 1267341871 /nfs/dbraw/zinc/34/18/71/1267341871.db2.gz GSSVVQSOVFIUNB-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004618524 1267412876 /nfs/dbraw/zinc/41/28/76/1267412876.db2.gz FRSTVPVHXMFRND-UXHICEINSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004618524 1267412887 /nfs/dbraw/zinc/41/28/87/1267412887.db2.gz FRSTVPVHXMFRND-UXHICEINSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001085432221 1267457145 /nfs/dbraw/zinc/45/71/45/1267457145.db2.gz ODRHXVNOSSTCHD-RTBURBONSA-N 1 3 329.488 2.955 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598105 1267961525 /nfs/dbraw/zinc/96/15/25/1267961525.db2.gz MYRMGIHPDIUOFA-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598105 1267961535 /nfs/dbraw/zinc/96/15/35/1267961535.db2.gz MYRMGIHPDIUOFA-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598104 1267961909 /nfs/dbraw/zinc/96/19/09/1267961909.db2.gz MYRMGIHPDIUOFA-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598104 1267961915 /nfs/dbraw/zinc/96/19/15/1267961915.db2.gz MYRMGIHPDIUOFA-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297712 1268688054 /nfs/dbraw/zinc/68/80/54/1268688054.db2.gz RWOKHPMGOCSWPH-GOSISDBHSA-N 1 3 329.488 2.513 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808331 1268774504 /nfs/dbraw/zinc/77/45/04/1268774504.db2.gz ORVDOABGLAOQKZ-ZCNNSNEGSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808331 1268774506 /nfs/dbraw/zinc/77/45/06/1268774506.db2.gz ORVDOABGLAOQKZ-ZCNNSNEGSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417624 1269090846 /nfs/dbraw/zinc/09/08/46/1269090846.db2.gz WMIMZOZYHGZQQN-LPHOPBHVSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417624 1269090854 /nfs/dbraw/zinc/09/08/54/1269090854.db2.gz WMIMZOZYHGZQQN-LPHOPBHVSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012865 1270829981 /nfs/dbraw/zinc/82/99/81/1270829981.db2.gz QQEJFFOSSYCDSZ-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085196712 1270882130 /nfs/dbraw/zinc/88/21/30/1270882130.db2.gz KTZIJXWGVHCCRT-OAGGEKHMSA-N 1 3 327.900 2.629 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085196712 1270882117 /nfs/dbraw/zinc/88/21/17/1270882117.db2.gz KTZIJXWGVHCCRT-OAGGEKHMSA-N 1 3 327.900 2.629 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085196711 1270883040 /nfs/dbraw/zinc/88/30/40/1270883040.db2.gz KTZIJXWGVHCCRT-BZUAXINKSA-N 1 3 327.900 2.629 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085196711 1270883046 /nfs/dbraw/zinc/88/30/46/1270883046.db2.gz KTZIJXWGVHCCRT-BZUAXINKSA-N 1 3 327.900 2.629 20 30 EFEDHO C=CCN1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404561 1271910380 /nfs/dbraw/zinc/91/03/80/1271910380.db2.gz KEEMBSKXXXWOMR-IBGZPJMESA-N 1 3 329.488 2.561 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001034538221 1272241028 /nfs/dbraw/zinc/24/10/28/1272241028.db2.gz JMNXSVWAGMENMA-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](CC(CC)CC)C2)CC1 ZINC001034538221 1272241030 /nfs/dbraw/zinc/24/10/30/1272241030.db2.gz JMNXSVWAGMENMA-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543766 1272256967 /nfs/dbraw/zinc/25/69/67/1272256967.db2.gz JMBFUECSUVQHOW-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543766 1272256974 /nfs/dbraw/zinc/25/69/74/1272256974.db2.gz JMBFUECSUVQHOW-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796565 1272989930 /nfs/dbraw/zinc/98/99/30/1272989930.db2.gz IYXZGTGMLXOLSS-LDKKBFSKSA-N 1 3 327.900 2.629 20 30 EFEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765298 1273469748 /nfs/dbraw/zinc/46/97/48/1273469748.db2.gz MSKLXQLDCMXIBW-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108784244 1273481468 /nfs/dbraw/zinc/48/14/68/1273481468.db2.gz NEFLPKCFNITXNA-FHWLQOOXSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108784245 1273481507 /nfs/dbraw/zinc/48/15/07/1273481507.db2.gz NEFLPKCFNITXNA-OTWHNJEPSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001086530280 1273736914 /nfs/dbraw/zinc/73/69/14/1273736914.db2.gz POCLEROIXJGBQB-ULQDDVLXSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530280 1273736919 /nfs/dbraw/zinc/73/69/19/1273736919.db2.gz POCLEROIXJGBQB-ULQDDVLXSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485216 1274335355 /nfs/dbraw/zinc/33/53/55/1274335355.db2.gz PZENIAYEMWFACH-BDXSIMOUSA-N 1 3 331.504 2.691 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485216 1274335366 /nfs/dbraw/zinc/33/53/66/1274335366.db2.gz PZENIAYEMWFACH-BDXSIMOUSA-N 1 3 331.504 2.691 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814989 1274549116 /nfs/dbraw/zinc/54/91/16/1274549116.db2.gz XCAVTEXRQGYIOY-ZWKOTPCHSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814989 1274549120 /nfs/dbraw/zinc/54/91/20/1274549120.db2.gz XCAVTEXRQGYIOY-ZWKOTPCHSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035859192 1274614294 /nfs/dbraw/zinc/61/42/94/1274614294.db2.gz SDDAFWIULUYMQG-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036302564 1275383958 /nfs/dbraw/zinc/38/39/58/1275383958.db2.gz JKUGAIVFFDVXKJ-KBXCAEBGSA-N 1 3 349.906 2.941 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086557421 1275845367 /nfs/dbraw/zinc/84/53/67/1275845367.db2.gz MUZMJGISFIEHPS-JCNLHEQBSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001086558496 1275888032 /nfs/dbraw/zinc/88/80/32/1275888032.db2.gz UOTGTFADXHWZMM-KOMQPUFPSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005988436 1277303857 /nfs/dbraw/zinc/30/38/57/1277303857.db2.gz VQXBNMMNPDLGJW-LJQANCHMSA-N 1 3 339.499 2.698 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114287396 1280129304 /nfs/dbraw/zinc/12/93/04/1280129304.db2.gz KNKQAHOTZPZADA-BDXSIMOUSA-N 1 3 333.520 2.652 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114287396 1280129308 /nfs/dbraw/zinc/12/93/08/1280129308.db2.gz KNKQAHOTZPZADA-BDXSIMOUSA-N 1 3 333.520 2.652 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001091283352 1280266711 /nfs/dbraw/zinc/26/67/11/1280266711.db2.gz GFWNWMIIFPUAJQ-UHFFFAOYSA-N 1 3 335.879 2.599 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584827 1280940085 /nfs/dbraw/zinc/94/00/85/1280940085.db2.gz VFSJAAVGGVVYEN-ROUUACIJSA-N 1 3 345.531 2.705 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610136 1280950700 /nfs/dbraw/zinc/95/07/00/1280950700.db2.gz HTMXLDDYMIINLP-MSOLQXFVSA-N 1 3 335.536 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC/C=C/CC)CC1 ZINC001146610198 1280951525 /nfs/dbraw/zinc/95/15/25/1280951525.db2.gz IPBUDOKPGKJICT-KBSZCIAZSA-N 1 3 333.520 2.561 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001146613568 1280951836 /nfs/dbraw/zinc/95/18/36/1280951836.db2.gz UGHRCMJROXFZGD-ROUUACIJSA-N 1 3 347.547 2.785 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672503 1281381657 /nfs/dbraw/zinc/38/16/57/1281381657.db2.gz OYGSFHLOCRPVRX-XLIONFOSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672503 1281381664 /nfs/dbraw/zinc/38/16/64/1281381664.db2.gz OYGSFHLOCRPVRX-XLIONFOSSA-N 1 3 333.520 2.607 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928149 1281989927 /nfs/dbraw/zinc/98/99/27/1281989927.db2.gz WPQXSODELVMYSK-MOPGFXCFSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928149 1281989931 /nfs/dbraw/zinc/98/99/31/1281989931.db2.gz WPQXSODELVMYSK-MOPGFXCFSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958699 1282033309 /nfs/dbraw/zinc/03/33/09/1282033309.db2.gz YYLQVHRGHKSILE-IBGZPJMESA-N 1 3 345.531 2.589 20 30 EFEDHO N#Cc1ccc2c(c1)[C@@H](NC1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000810217437 1283045351 /nfs/dbraw/zinc/04/53/51/1283045351.db2.gz DJPTWJUPVZUFCA-QUCCMNQESA-N 1 3 325.456 2.779 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222951 1283511377 /nfs/dbraw/zinc/51/13/77/1283511377.db2.gz TTWCJXLVHVEPCY-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222951 1283511386 /nfs/dbraw/zinc/51/13/86/1283511386.db2.gz TTWCJXLVHVEPCY-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519516 1283782355 /nfs/dbraw/zinc/78/23/55/1283782355.db2.gz ZYRIGRWNDJBUKQ-AZUAARDMSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519516 1283782363 /nfs/dbraw/zinc/78/23/63/1283782363.db2.gz ZYRIGRWNDJBUKQ-AZUAARDMSA-N 1 3 347.547 2.881 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372610 1283814078 /nfs/dbraw/zinc/81/40/78/1283814078.db2.gz FYCLTMXLORKAEO-MOPGFXCFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372610 1283814084 /nfs/dbraw/zinc/81/40/84/1283814084.db2.gz FYCLTMXLORKAEO-MOPGFXCFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093380060 1283841002 /nfs/dbraw/zinc/84/10/02/1283841002.db2.gz PRTXHHKZMGQADD-IBGZPJMESA-N 1 3 342.487 2.621 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093380060 1283841012 /nfs/dbraw/zinc/84/10/12/1283841012.db2.gz PRTXHHKZMGQADD-IBGZPJMESA-N 1 3 342.487 2.621 20 30 EFEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132832499 1284360960 /nfs/dbraw/zinc/36/09/60/1284360960.db2.gz XNZXUXANBXZSOI-ZWKOTPCHSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132932643 1284485168 /nfs/dbraw/zinc/48/51/68/1284485168.db2.gz KOWNKXLUWVOPAK-DZGCQCFKSA-N 1 3 329.916 2.543 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135709 1284850534 /nfs/dbraw/zinc/85/05/34/1284850534.db2.gz VTOVGLFIPGSHMU-DLBZAZTESA-N 1 3 334.508 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413416 1285038262 /nfs/dbraw/zinc/03/82/62/1285038262.db2.gz FLFRRELIUKDULN-QWFCFKBJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413416 1285038275 /nfs/dbraw/zinc/03/82/75/1285038275.db2.gz FLFRRELIUKDULN-QWFCFKBJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133336816 1285213934 /nfs/dbraw/zinc/21/39/34/1285213934.db2.gz GBULPOXNAVAJRL-APWZRJJASA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)C1CCC1 ZINC001133398160 1285314589 /nfs/dbraw/zinc/31/45/89/1285314589.db2.gz HFLXXTALIUSSPV-UHFFFAOYSA-N 1 3 349.906 2.929 20 30 EFEDHO CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)N(C)C ZINC001133399108 1285321867 /nfs/dbraw/zinc/32/18/67/1285321867.db2.gz COVNJJOXXUADDE-GOSISDBHSA-N 1 3 349.906 2.622 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CC[C@H](C)C1 ZINC001133404005 1285356636 /nfs/dbraw/zinc/35/66/36/1285356636.db2.gz UJDCKSMIKVMVOJ-INIZCTEOSA-N 1 3 349.906 2.786 20 30 EFEDHO C=CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001133405528 1285358171 /nfs/dbraw/zinc/35/81/71/1285358171.db2.gz CRKZXMXITZLFIH-UHFFFAOYSA-N 1 3 346.862 2.800 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)N(C)C ZINC001133405676 1285359298 /nfs/dbraw/zinc/35/92/98/1285359298.db2.gz KYDFHIZXTGPVST-KRWDZBQOSA-N 1 3 337.895 2.784 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)CCC ZINC001133410639 1285371192 /nfs/dbraw/zinc/37/11/92/1285371192.db2.gz STOYNVIXASYGNT-UHFFFAOYSA-N 1 3 337.895 2.786 20 30 EFEDHO CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)C(C)C ZINC001133410571 1285372624 /nfs/dbraw/zinc/37/26/24/1285372624.db2.gz NXIZYXCVQZMNOE-UHFFFAOYSA-N 1 3 349.906 2.622 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161665 1285504095 /nfs/dbraw/zinc/50/40/95/1285504095.db2.gz OVCLMUHBGSIGAY-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161665 1285504102 /nfs/dbraw/zinc/50/41/02/1285504102.db2.gz OVCLMUHBGSIGAY-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094923676 1286184305 /nfs/dbraw/zinc/18/43/05/1286184305.db2.gz SHOLYKJLUKPXEZ-KSZLIROESA-N 1 3 333.520 2.796 20 30 EFEDHO C[NH+](C)CCC(C)(C)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976939 1286363277 /nfs/dbraw/zinc/36/32/77/1286363277.db2.gz XQAOCRJPCHMYOX-CABCVRRESA-N 1 3 338.496 2.598 20 30 EFEDHO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095061975 1286471210 /nfs/dbraw/zinc/47/12/10/1286471210.db2.gz DJZPFHBBJCYWKW-SZMVWBNQSA-N 1 3 327.472 2.517 20 30 EFEDHO C[NH+](C)CCCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001179399705 1289122757 /nfs/dbraw/zinc/12/27/57/1289122757.db2.gz FLNYLRNCYDCTPY-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773686 1287171698 /nfs/dbraw/zinc/17/16/98/1287171698.db2.gz QLKQSZXOTSNQSV-CVEARBPZSA-N 1 3 344.503 2.661 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC1 ZINC001176736821 1288087915 /nfs/dbraw/zinc/08/79/15/1288087915.db2.gz FOCLOIAEEDMQBL-SFHVURJKSA-N 1 3 335.536 2.642 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C)CC1 ZINC001176736659 1288087937 /nfs/dbraw/zinc/08/79/37/1288087937.db2.gz CUWFNOQVCZENDE-SFHVURJKSA-N 1 3 333.520 2.562 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176754638 1288120965 /nfs/dbraw/zinc/12/09/65/1288120965.db2.gz XEARDHIBIVSAAD-IBGZPJMESA-N 1 3 343.515 2.643 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760165 1288122404 /nfs/dbraw/zinc/12/24/04/1288122404.db2.gz QWRXDZQTWDYJOD-CVEARBPZSA-N 1 3 329.916 2.878 20 30 EFEDHO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691440 1288268255 /nfs/dbraw/zinc/26/82/55/1288268255.db2.gz URPYOLDRASFVGR-ROUUACIJSA-N 1 3 341.540 2.574 20 30 EFEDHO C[C@@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)NCc1ccccc1C#N ZINC001135965998 1288689445 /nfs/dbraw/zinc/68/94/45/1288689445.db2.gz HGCCDCPYUAGQTE-IRXDYDNUSA-N 1 3 344.503 2.663 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCC(C)C)CC1 ZINC001180360654 1289494620 /nfs/dbraw/zinc/49/46/20/1289494620.db2.gz LSUHJTXUMWZCLT-UHFFFAOYSA-N 1 3 335.536 2.644 20 30 EFEDHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180369409 1289515327 /nfs/dbraw/zinc/51/53/27/1289515327.db2.gz DIGHLCPGXOQLKL-UHFFFAOYSA-N 1 3 343.515 2.645 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2CCC)C[C@H]1C ZINC001181671856 1289895683 /nfs/dbraw/zinc/89/56/83/1289895683.db2.gz RKMNXSDXNGCDNA-QWFCFKBJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185170810 1290608222 /nfs/dbraw/zinc/60/82/22/1290608222.db2.gz RZKFQAZMJHOSFO-ROUUACIJSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185170808 1290609013 /nfs/dbraw/zinc/60/90/13/1290609013.db2.gz RZKFQAZMJHOSFO-QZTJIDSGSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185741058 1290754331 /nfs/dbraw/zinc/75/43/31/1290754331.db2.gz GUWCVZHROBSIRL-QFBILLFUSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185749733 1290762621 /nfs/dbraw/zinc/76/26/21/1290762621.db2.gz DYFIBBJBERLMBS-IAGOWNOFSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662028 1290776423 /nfs/dbraw/zinc/77/64/23/1290776423.db2.gz BIWHTBNCWRDNLO-PIIMJCKOSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662028 1290776431 /nfs/dbraw/zinc/77/64/31/1290776431.db2.gz BIWHTBNCWRDNLO-PIIMJCKOSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687791 1312820130 /nfs/dbraw/zinc/82/01/30/1312820130.db2.gz ZXKQSTPGDWHWSO-QAPCUYQASA-N 1 3 327.488 2.650 20 30 EFEDHO CN(C)c1ccc(CN2CCC3(C2)CC[NH+](C)CC3)c(F)c1C#N ZINC001233102397 1312855638 /nfs/dbraw/zinc/85/56/38/1312855638.db2.gz YAOYOMAWGXSPHE-UHFFFAOYSA-N 1 3 330.451 2.681 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560383 1291766539 /nfs/dbraw/zinc/76/65/39/1291766539.db2.gz XTPSUGJEOZDZGH-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560417 1291766775 /nfs/dbraw/zinc/76/67/75/1291766775.db2.gz ZLKBTYNOTOJMCO-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957560977 1291769063 /nfs/dbraw/zinc/76/90/63/1291769063.db2.gz BZYASPHIIIGVJA-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016621356 1312886487 /nfs/dbraw/zinc/88/64/87/1312886487.db2.gz PGVKREWVDAGSTO-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)CC2)CC1 ZINC000957626355 1291911191 /nfs/dbraw/zinc/91/11/91/1291911191.db2.gz MQEACAUAOUWVLQ-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957645294 1291955257 /nfs/dbraw/zinc/95/52/57/1291955257.db2.gz VSYUFVUZVREIGA-UHFFFAOYSA-N 1 3 333.520 2.753 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473583 1312900409 /nfs/dbraw/zinc/90/04/09/1312900409.db2.gz MCVMYGRJZYIUMU-YZGWKJHDSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473583 1312900411 /nfs/dbraw/zinc/90/04/11/1312900411.db2.gz MCVMYGRJZYIUMU-YZGWKJHDSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001016652336 1312904587 /nfs/dbraw/zinc/90/45/87/1312904587.db2.gz RWXJXOPWRNQTJR-ROUUACIJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001016652337 1312904763 /nfs/dbraw/zinc/90/47/63/1312904763.db2.gz RWXJXOPWRNQTJR-ZWKOTPCHSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525824 1312967236 /nfs/dbraw/zinc/96/72/36/1312967236.db2.gz RFXYAEWJIBWANI-IPMKNSEASA-N 1 3 331.504 2.645 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049525824 1312967238 /nfs/dbraw/zinc/96/72/38/1312967238.db2.gz RFXYAEWJIBWANI-IPMKNSEASA-N 1 3 331.504 2.645 20 30 EFEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770237 1313010346 /nfs/dbraw/zinc/01/03/46/1313010346.db2.gz FKGBMCXROMYWNX-HZPDHXFCSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016860494 1313014836 /nfs/dbraw/zinc/01/48/36/1313014836.db2.gz IHTNZPIFLWQEST-ROUUACIJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862018 1313015504 /nfs/dbraw/zinc/01/55/04/1313015504.db2.gz RQFNWKIYXGZAHC-ZWKOTPCHSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016922479 1313043986 /nfs/dbraw/zinc/04/39/86/1313043986.db2.gz DIKIUFWZQYWOCS-ZWKOTPCHSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC001196619846 1294307823 /nfs/dbraw/zinc/30/78/23/1294307823.db2.gz NFUPYJWBTYPOEN-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC001196619846 1294307832 /nfs/dbraw/zinc/30/78/32/1294307832.db2.gz NFUPYJWBTYPOEN-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000303881118 1294595948 /nfs/dbraw/zinc/59/59/48/1294595948.db2.gz KQSIBAOXMKCHDD-IAGOWNOFSA-N 1 3 345.535 2.810 20 30 EFEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)NCCc1ccccc1 ZINC000303890798 1294597404 /nfs/dbraw/zinc/59/74/04/1294597404.db2.gz MQZHKLVHZQWJSH-UHFFFAOYSA-N 1 3 336.483 2.582 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCC1 ZINC000303970408 1294611751 /nfs/dbraw/zinc/61/17/51/1294611751.db2.gz CONIPEOESKTNHG-QGZVFWFLSA-N 1 3 332.467 2.636 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615585 1313089528 /nfs/dbraw/zinc/08/95/28/1313089528.db2.gz LVBHONLXDKCDFK-GUDVDZBRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615585 1313089531 /nfs/dbraw/zinc/08/95/31/1313089531.db2.gz LVBHONLXDKCDFK-GUDVDZBRSA-N 1 3 331.504 2.502 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CC/C=C\CCC)CC2)CC1 ZINC001198236550 1294948272 /nfs/dbraw/zinc/94/82/72/1294948272.db2.gz OGHXBNVEUHPTRL-SREVYHEPSA-N 1 3 345.531 2.612 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CC/C=C\CCC)CC2)CC1 ZINC001198236550 1294948281 /nfs/dbraw/zinc/94/82/81/1294948281.db2.gz OGHXBNVEUHPTRL-SREVYHEPSA-N 1 3 345.531 2.612 20 30 EFEDHO C=CCC[C@@H](C)N[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885088 1295317338 /nfs/dbraw/zinc/31/73/38/1295317338.db2.gz ANCDSXAEIRLLHX-AEFFLSMTSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCC[C@@H](C)N[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885090 1295318086 /nfs/dbraw/zinc/31/80/86/1295318086.db2.gz ANCDSXAEIRLLHX-SJLPKXTDSA-N 1 3 347.503 2.749 20 30 EFEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198993271 1295388510 /nfs/dbraw/zinc/38/85/10/1295388510.db2.gz MDLXIGFEYAPAAQ-SFHVURJKSA-N 1 3 347.503 2.749 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(Cl)cc12 ZINC000304739480 1295746582 /nfs/dbraw/zinc/74/65/82/1295746582.db2.gz BGCAGPCNCIWJNA-OAHLLOKOSA-N 1 3 347.894 2.752 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)c1ccc(OC)cc1 ZINC000304750822 1295748461 /nfs/dbraw/zinc/74/84/61/1295748461.db2.gz ISKMERGLTOPGQF-RDJZCZTQSA-N 1 3 332.492 2.577 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(Sc2ccccc2)CC1 ZINC000304759803 1295750819 /nfs/dbraw/zinc/75/08/19/1295750819.db2.gz ROULKVDIIRUDMI-HNNXBMFYSA-N 1 3 332.517 2.700 20 30 EFEDHO CCOc1cc(Cl)ccc1CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000305179473 1295967360 /nfs/dbraw/zinc/96/73/60/1295967360.db2.gz BPJLDJGJPSQMPT-OAHLLOKOSA-N 1 3 338.883 2.627 20 30 EFEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717934 1313219356 /nfs/dbraw/zinc/21/93/56/1313219356.db2.gz HQKJUKSDZGIJBY-UXHICEINSA-N 1 3 341.499 2.656 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768697 1313279171 /nfs/dbraw/zinc/27/91/71/1313279171.db2.gz YQMAGFLXRPOMED-CEXWTWQISA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768697 1313279174 /nfs/dbraw/zinc/27/91/74/1313279174.db2.gz YQMAGFLXRPOMED-CEXWTWQISA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960271637 1296680367 /nfs/dbraw/zinc/68/03/67/1296680367.db2.gz RRUGWIFMGIAAKE-YFVAEKQCSA-N 1 3 341.499 2.807 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960271637 1296680381 /nfs/dbraw/zinc/68/03/81/1296680381.db2.gz RRUGWIFMGIAAKE-YFVAEKQCSA-N 1 3 341.499 2.807 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960271636 1296680939 /nfs/dbraw/zinc/68/09/39/1296680939.db2.gz RRUGWIFMGIAAKE-FBBABVLZSA-N 1 3 341.499 2.807 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960271636 1296680957 /nfs/dbraw/zinc/68/09/57/1296680957.db2.gz RRUGWIFMGIAAKE-FBBABVLZSA-N 1 3 341.499 2.807 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960276512 1296689696 /nfs/dbraw/zinc/68/96/96/1296689696.db2.gz XLCZUKIHCPCMKB-VAMGGRTRSA-N 1 3 341.499 2.665 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960276512 1296689707 /nfs/dbraw/zinc/68/97/07/1296689707.db2.gz XLCZUKIHCPCMKB-VAMGGRTRSA-N 1 3 341.499 2.665 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250965 1314463563 /nfs/dbraw/zinc/46/35/63/1314463563.db2.gz ZBOKMWVHXOXJLO-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017618245 1313440990 /nfs/dbraw/zinc/44/09/90/1313440990.db2.gz PSLOZWMIEDVJCC-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017618245 1313440992 /nfs/dbraw/zinc/44/09/92/1313440992.db2.gz PSLOZWMIEDVJCC-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915365 1313479281 /nfs/dbraw/zinc/47/92/81/1313479281.db2.gz UJROZUWIKQUIMC-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338514 1298576753 /nfs/dbraw/zinc/57/67/53/1298576753.db2.gz FZCYBIPCVNPZJB-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338514 1298576761 /nfs/dbraw/zinc/57/67/61/1298576761.db2.gz FZCYBIPCVNPZJB-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961376331 1298644544 /nfs/dbraw/zinc/64/45/44/1298644544.db2.gz RYCKUAFBDPZWCD-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961376331 1298644556 /nfs/dbraw/zinc/64/45/56/1298644556.db2.gz RYCKUAFBDPZWCD-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961379134 1298651754 /nfs/dbraw/zinc/65/17/54/1298651754.db2.gz QTHPXBMVCCQEJR-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961379134 1298651766 /nfs/dbraw/zinc/65/17/66/1298651766.db2.gz QTHPXBMVCCQEJR-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961404133 1298697123 /nfs/dbraw/zinc/69/71/23/1298697123.db2.gz XNZMUJYKAXSIGW-VQTJNVASSA-N 1 3 347.547 2.547 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961404133 1298697124 /nfs/dbraw/zinc/69/71/24/1298697124.db2.gz XNZMUJYKAXSIGW-VQTJNVASSA-N 1 3 347.547 2.547 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442502 1298754214 /nfs/dbraw/zinc/75/42/14/1298754214.db2.gz TWQQHWVZWIZCSA-IBGZPJMESA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442502 1298754221 /nfs/dbraw/zinc/75/42/21/1298754221.db2.gz TWQQHWVZWIZCSA-IBGZPJMESA-N 1 3 333.520 2.609 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000305793243 1298867798 /nfs/dbraw/zinc/86/77/98/1298867798.db2.gz MHEGAJJRCSTSTQ-DLBZAZTESA-N 1 3 344.503 2.504 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314266 1300575630 /nfs/dbraw/zinc/57/56/30/1300575630.db2.gz KGHMRRFEPKNNSM-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314266 1300575638 /nfs/dbraw/zinc/57/56/38/1300575638.db2.gz KGHMRRFEPKNNSM-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360163 1300684454 /nfs/dbraw/zinc/68/44/54/1300684454.db2.gz KYKSOURSPDEPOH-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360163 1300684466 /nfs/dbraw/zinc/68/44/66/1300684466.db2.gz KYKSOURSPDEPOH-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365708 1300698924 /nfs/dbraw/zinc/69/89/24/1300698924.db2.gz HBFREMUAIQAMCT-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365708 1300698931 /nfs/dbraw/zinc/69/89/31/1300698931.db2.gz HBFREMUAIQAMCT-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384580 1300742494 /nfs/dbraw/zinc/74/24/94/1300742494.db2.gz VHAFAMHRZVEINK-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384580 1300742497 /nfs/dbraw/zinc/74/24/97/1300742497.db2.gz VHAFAMHRZVEINK-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO N#Cc1ccc(CC[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)cc1 ZINC001278167937 1313737121 /nfs/dbraw/zinc/73/71/21/1313737121.db2.gz VFICPHSVQPLYDA-UHFFFAOYSA-N 1 3 349.482 2.812 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001097079048 1313841116 /nfs/dbraw/zinc/84/11/16/1313841116.db2.gz GNTVCVTZDNSSQU-NBYUQASBSA-N 1 3 345.531 2.939 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001097079048 1313841119 /nfs/dbraw/zinc/84/11/19/1313841119.db2.gz GNTVCVTZDNSSQU-NBYUQASBSA-N 1 3 345.531 2.939 20 30 EFEDHO CCCCCCCCNC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001239307661 1313924051 /nfs/dbraw/zinc/92/40/51/1313924051.db2.gz FXZIWDQTEALQBU-QGZVFWFLSA-N 1 3 326.529 2.672 20 30 EFEDHO CCCCCCCCCNC(=S)NCCCN(C)CCC[NH3+] ZINC001239376092 1313931246 /nfs/dbraw/zinc/93/12/46/1313931246.db2.gz QJNOSUTWRSLDGM-UHFFFAOYSA-N 1 3 330.586 2.872 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000869735525 1304943108 /nfs/dbraw/zinc/94/31/08/1304943108.db2.gz VYXQUZYQDPBRSR-HNNXBMFYSA-N 1 3 343.393 2.542 20 30 EFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001097406387 1314038081 /nfs/dbraw/zinc/03/80/81/1314038081.db2.gz YFTSNQHTFAQOOJ-AKHDSKFASA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001097406387 1314038085 /nfs/dbraw/zinc/03/80/85/1314038085.db2.gz YFTSNQHTFAQOOJ-AKHDSKFASA-N 1 3 333.520 2.795 20 30 EFEDHO C#CCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209263406 1314128276 /nfs/dbraw/zinc/12/82/76/1314128276.db2.gz KZOLPZAWPDRMAG-RTWAWAEBSA-N 1 3 330.516 2.860 20 30 EFEDHO C#CCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209263406 1314128279 /nfs/dbraw/zinc/12/82/79/1314128279.db2.gz KZOLPZAWPDRMAG-RTWAWAEBSA-N 1 3 330.516 2.860 20 30 EFEDHO C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681086 1306563514 /nfs/dbraw/zinc/56/35/14/1306563514.db2.gz GQERGRDZTSLJJV-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC(CC)CC)CC[C@H]2C)CC1 ZINC000968681891 1306563953 /nfs/dbraw/zinc/56/39/53/1306563953.db2.gz MIDFBNBDVXUIJP-XLIONFOSSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC(CC)CC)CC[C@H]2C)CC1 ZINC000968681891 1306563957 /nfs/dbraw/zinc/56/39/57/1306563957.db2.gz MIDFBNBDVXUIJP-XLIONFOSSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942566 1307953891 /nfs/dbraw/zinc/95/38/91/1307953891.db2.gz UQCHSQUAIMKCPA-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942566 1307953898 /nfs/dbraw/zinc/95/38/98/1307953898.db2.gz UQCHSQUAIMKCPA-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942566 1307953904 /nfs/dbraw/zinc/95/39/04/1307953904.db2.gz UQCHSQUAIMKCPA-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943895 1307959379 /nfs/dbraw/zinc/95/93/79/1307959379.db2.gz QVNYANRVSNOEJN-UYAOXDASSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943895 1307959382 /nfs/dbraw/zinc/95/93/82/1307959382.db2.gz QVNYANRVSNOEJN-UYAOXDASSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965463 1308019317 /nfs/dbraw/zinc/01/93/17/1308019317.db2.gz UMFABIQPQPQDFC-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965463 1308019320 /nfs/dbraw/zinc/01/93/20/1308019320.db2.gz UMFABIQPQPQDFC-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967080 1308023359 /nfs/dbraw/zinc/02/33/59/1308023359.db2.gz MTDJBBCKRRFJKU-AZUAARDMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967080 1308023364 /nfs/dbraw/zinc/02/33/64/1308023364.db2.gz MTDJBBCKRRFJKU-AZUAARDMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967389 1308024892 /nfs/dbraw/zinc/02/48/92/1308024892.db2.gz UACIGFKNDXPGEL-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967389 1308024896 /nfs/dbraw/zinc/02/48/96/1308024896.db2.gz UACIGFKNDXPGEL-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967390 1308025088 /nfs/dbraw/zinc/02/50/88/1308025088.db2.gz UACIGFKNDXPGEL-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967390 1308025093 /nfs/dbraw/zinc/02/50/93/1308025093.db2.gz UACIGFKNDXPGEL-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045973507 1308043435 /nfs/dbraw/zinc/04/34/35/1308043435.db2.gz SCOKBLHBPIUSAM-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045973507 1308043439 /nfs/dbraw/zinc/04/34/39/1308043439.db2.gz SCOKBLHBPIUSAM-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045986341 1308086645 /nfs/dbraw/zinc/08/66/45/1308086645.db2.gz NWCGSNDJOQXKTN-NRFANRHFSA-N 1 3 345.531 2.590 20 30 EFEDHO N#Cc1ccnc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276686721 1314353496 /nfs/dbraw/zinc/35/34/96/1314353496.db2.gz HEHQFUMSZVBBPF-HDICACEKSA-N 1 3 335.455 2.625 20 30 EFEDHO N#Cc1ccnc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276686721 1314353499 /nfs/dbraw/zinc/35/34/99/1314353499.db2.gz HEHQFUMSZVBBPF-HDICACEKSA-N 1 3 335.455 2.625 20 30 EFEDHO CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047242025 1310393887 /nfs/dbraw/zinc/39/38/87/1310393887.db2.gz AJTWHDJQAGBCFO-UXHICEINSA-N 1 3 347.547 2.547 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047255619 1310427932 /nfs/dbraw/zinc/42/79/32/1310427932.db2.gz CBAFWYBWXYYFLI-OALUTQOASA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047257028 1310431866 /nfs/dbraw/zinc/43/18/66/1310431866.db2.gz OLXSOUWOQMJTMN-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793024 1311032429 /nfs/dbraw/zinc/03/24/29/1311032429.db2.gz KHSYTRKIARWQBK-GUDVDZBRSA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793024 1311032432 /nfs/dbraw/zinc/03/24/32/1311032432.db2.gz KHSYTRKIARWQBK-GUDVDZBRSA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848236 1311042349 /nfs/dbraw/zinc/04/23/49/1311042349.db2.gz FVSKSHQVVKRXCX-IPMKNSEASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848236 1311042350 /nfs/dbraw/zinc/04/23/50/1311042350.db2.gz FVSKSHQVVKRXCX-IPMKNSEASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001222045412 1311074120 /nfs/dbraw/zinc/07/41/20/1311074120.db2.gz JJDBQTAWYGRYFR-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001222045412 1311074121 /nfs/dbraw/zinc/07/41/21/1311074121.db2.gz JJDBQTAWYGRYFR-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987968 1311339297 /nfs/dbraw/zinc/33/92/97/1311339297.db2.gz YNQROJMIQVQCPM-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987968 1311339300 /nfs/dbraw/zinc/33/93/00/1311339300.db2.gz YNQROJMIQVQCPM-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCCCC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224558969 1311407393 /nfs/dbraw/zinc/40/73/93/1311407393.db2.gz KZMZOEJEIDKHAC-GOSISDBHSA-N 1 3 335.536 2.903 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360410 1311697152 /nfs/dbraw/zinc/69/71/52/1311697152.db2.gz QOAMKKXCVQBGRR-QGZVFWFLSA-N 1 3 333.520 2.964 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360410 1311697154 /nfs/dbraw/zinc/69/71/54/1311697154.db2.gz QOAMKKXCVQBGRR-QGZVFWFLSA-N 1 3 333.520 2.964 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360409 1311697329 /nfs/dbraw/zinc/69/73/29/1311697329.db2.gz QOAMKKXCVQBGRR-KRWDZBQOSA-N 1 3 333.520 2.964 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160360409 1311697331 /nfs/dbraw/zinc/69/73/31/1311697331.db2.gz QOAMKKXCVQBGRR-KRWDZBQOSA-N 1 3 333.520 2.964 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001160559374 1311736628 /nfs/dbraw/zinc/73/66/28/1311736628.db2.gz HETGPCGQNUDHRZ-UHFFFAOYSA-N 1 3 345.531 2.801 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559374 1311736631 /nfs/dbraw/zinc/73/66/31/1311736631.db2.gz HETGPCGQNUDHRZ-UHFFFAOYSA-N 1 3 345.531 2.801 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048531591 1311869492 /nfs/dbraw/zinc/86/94/92/1311869492.db2.gz UCPBSPSHDZGHGA-RDGPPVDQSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048531591 1311869494 /nfs/dbraw/zinc/86/94/94/1311869494.db2.gz UCPBSPSHDZGHGA-RDGPPVDQSA-N 1 3 333.520 2.796 20 30 EFEDHO C[C@H](c1ccccc1)N(C(=O)[C@@H](N)CCCC[NH3+])C1=CC(=O)CCC1 ZINC001161509684 1311903434 /nfs/dbraw/zinc/90/34/34/1311903434.db2.gz QRJJDBKUPQCXNS-BEFAXECRSA-N 1 3 343.471 2.669 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161679294 1311949236 /nfs/dbraw/zinc/94/92/36/1311949236.db2.gz YAJYHCSHCXUTKR-HXUWFJFHSA-N 1 3 345.531 2.803 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679294 1311949238 /nfs/dbraw/zinc/94/92/38/1311949238.db2.gz YAJYHCSHCXUTKR-HXUWFJFHSA-N 1 3 345.531 2.803 20 30 EFEDHO C=CC[N@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161946899 1312011228 /nfs/dbraw/zinc/01/12/28/1312011228.db2.gz LAOGOOAZKTVMDD-UHFFFAOYSA-N 1 3 327.472 2.686 20 30 EFEDHO C=CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161946899 1312011231 /nfs/dbraw/zinc/01/12/31/1312011231.db2.gz LAOGOOAZKTVMDD-UHFFFAOYSA-N 1 3 327.472 2.686 20 30 EFEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)N(C)CC ZINC001162848466 1312189416 /nfs/dbraw/zinc/18/94/16/1312189416.db2.gz JJUUICKCUUNRDO-UHFFFAOYSA-N 1 3 331.504 2.564 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162934934 1312206610 /nfs/dbraw/zinc/20/66/10/1312206610.db2.gz LRTKEFMYAYGFBT-IBGZPJMESA-N 1 3 331.504 2.564 20 30 EFEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230243646 1312209977 /nfs/dbraw/zinc/20/99/77/1312209977.db2.gz TVLUUJAGNSUNHC-RTBURBONSA-N 1 3 329.488 2.955 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC(C)C)CC1 ZINC001230251802 1312210895 /nfs/dbraw/zinc/21/08/95/1312210895.db2.gz KMBLZJXMZVQCKS-WOJBJXKFSA-N 1 3 347.547 2.785 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC/C=C\CC)CC1 ZINC001230252017 1312210932 /nfs/dbraw/zinc/21/09/32/1312210932.db2.gz WMVPDZZWIGFZEN-SBUVDCAVSA-N 1 3 345.531 2.705 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC001230354986 1312227908 /nfs/dbraw/zinc/22/79/08/1312227908.db2.gz OBLTYFDCSHWIPD-UHFFFAOYSA-N 1 3 347.547 2.739 20 30 EFEDHO CCN(CC)CCNC(=[NH2+])Nc1ncc(C)cc1C#C[Si](C)(C)C ZINC001163128149 1312246069 /nfs/dbraw/zinc/24/60/69/1312246069.db2.gz ATDLKHMFUGCICT-UHFFFAOYSA-N 1 3 345.567 2.897 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230619540 1312287123 /nfs/dbraw/zinc/28/71/23/1312287123.db2.gz ZYQNCGRRAICXNB-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230619540 1312287126 /nfs/dbraw/zinc/28/71/26/1312287126.db2.gz ZYQNCGRRAICXNB-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628014 1312289829 /nfs/dbraw/zinc/28/98/29/1312289829.db2.gz FLRCEUBDVUWTFV-KRWDZBQOSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628014 1312289831 /nfs/dbraw/zinc/28/98/31/1312289831.db2.gz FLRCEUBDVUWTFV-KRWDZBQOSA-N 1 3 341.927 2.782 20 30 EFEDHO C=CCC[N@@H+](CCCNC(=O)C(C)(C)N(C)CC)Cc1cccnc1 ZINC001230789211 1312343725 /nfs/dbraw/zinc/34/37/25/1312343725.db2.gz AEZAVQFINGTXIE-UHFFFAOYSA-N 1 3 346.519 2.696 20 30 EFEDHO C=CCC[N@H+](CCCNC(=O)C(C)(C)N(C)CC)Cc1cccnc1 ZINC001230789211 1312343728 /nfs/dbraw/zinc/34/37/28/1312343728.db2.gz AEZAVQFINGTXIE-UHFFFAOYSA-N 1 3 346.519 2.696 20 30 EFEDHO C=CCC[N@@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230841495 1312366664 /nfs/dbraw/zinc/36/66/64/1312366664.db2.gz SNAFBOQJKKGQOK-LJQANCHMSA-N 1 3 346.519 2.552 20 30 EFEDHO C=CCC[N@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230841495 1312366668 /nfs/dbraw/zinc/36/66/68/1312366668.db2.gz SNAFBOQJKKGQOK-LJQANCHMSA-N 1 3 346.519 2.552 20 30 EFEDHO C=CCOc1cccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001231624094 1312534288 /nfs/dbraw/zinc/53/42/88/1312534288.db2.gz GTTJEHMPDJYZFR-UHFFFAOYSA-N 1 3 343.515 2.711 20 30 EFEDHO C#Cc1cccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c1 ZINC001231656222 1312542371 /nfs/dbraw/zinc/54/23/71/1312542371.db2.gz ZAWQJNBCYLMBAP-FGZHOGPDSA-N 1 3 338.495 2.848 20 30 EFEDHO C#Cc1cccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c1 ZINC001231656222 1312542373 /nfs/dbraw/zinc/54/23/73/1312542373.db2.gz ZAWQJNBCYLMBAP-FGZHOGPDSA-N 1 3 338.495 2.848 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165456037 1312633210 /nfs/dbraw/zinc/63/32/10/1312633210.db2.gz OVECJIHUVIOCMN-MRXNPFEDSA-N 1 3 341.927 2.593 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165456037 1312633213 /nfs/dbraw/zinc/63/32/13/1312633213.db2.gz OVECJIHUVIOCMN-MRXNPFEDSA-N 1 3 341.927 2.593 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052952011 1314511977 /nfs/dbraw/zinc/51/19/77/1314511977.db2.gz AEGLJKSSCUPWPU-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052952011 1314511982 /nfs/dbraw/zinc/51/19/82/1314511982.db2.gz AEGLJKSSCUPWPU-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO CCCCCCCC[C@H](O)C[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001245984807 1314558824 /nfs/dbraw/zinc/55/88/24/1314558824.db2.gz PFHRCXQXGGIRLS-OTWHNJEPSA-N 1 3 326.525 2.846 20 30 EFEDHO CCCCCCCC[C@H](O)CNC[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001245984807 1314558825 /nfs/dbraw/zinc/55/88/25/1314558825.db2.gz PFHRCXQXGGIRLS-OTWHNJEPSA-N 1 3 326.525 2.846 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030022 1314604147 /nfs/dbraw/zinc/60/41/47/1314604147.db2.gz ZYAZJLJZUVRVFC-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030022 1314604151 /nfs/dbraw/zinc/60/41/51/1314604151.db2.gz ZYAZJLJZUVRVFC-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156484 1314640110 /nfs/dbraw/zinc/64/01/10/1314640110.db2.gz NKIAWNMOFNLLHD-JYJNAYRXSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156484 1314640114 /nfs/dbraw/zinc/64/01/14/1314640114.db2.gz NKIAWNMOFNLLHD-JYJNAYRXSA-N 1 3 339.911 2.630 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@H](C)C3)C2)CC1 ZINC001246528716 1314642111 /nfs/dbraw/zinc/64/21/11/1314642111.db2.gz ZYHPRWOOIBMGFP-IAGOWNOFSA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCN[C@H](C)C3)C2)CC1 ZINC001246528716 1314642114 /nfs/dbraw/zinc/64/21/14/1314642114.db2.gz ZYHPRWOOIBMGFP-IAGOWNOFSA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@H]3CC[NH2+][C@@H](C(C)C)C3)C2)C1 ZINC001246551995 1314646880 /nfs/dbraw/zinc/64/68/80/1314646880.db2.gz UBUVYUZRMXIQDN-NLWGTHIKSA-N 1 3 349.519 2.874 20 30 EFEDHO CCCCCCCC[C@H](CC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246631401 1314661425 /nfs/dbraw/zinc/66/14/25/1314661425.db2.gz XDXVFQTVUGMRFO-PXNSSMCTSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCC[C@H](CC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246631401 1314661430 /nfs/dbraw/zinc/66/14/30/1314661430.db2.gz XDXVFQTVUGMRFO-PXNSSMCTSA-N 1 3 335.536 2.927 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098956 1314713696 /nfs/dbraw/zinc/71/36/96/1314713696.db2.gz RILRMXBAXYXARF-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098956 1314713699 /nfs/dbraw/zinc/71/36/99/1314713699.db2.gz RILRMXBAXYXARF-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO N#C[C@@H]1CNC[C@H]1OCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC001217833226 1315116086 /nfs/dbraw/zinc/11/60/86/1315116086.db2.gz RMIDCYASVJGKCT-UYAOXDASSA-N 1 3 343.471 2.570 20 30 EFEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001218996770 1315270555 /nfs/dbraw/zinc/27/05/55/1315270555.db2.gz OEOOVMWGUQVDEN-IEBWSBKVSA-N 1 3 334.423 2.664 20 30 EFEDHO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001219482882 1315317185 /nfs/dbraw/zinc/31/71/85/1315317185.db2.gz LRRAPKVFQWMDBV-AWEZNQCLSA-N 1 3 337.927 2.574 20 30 EFEDHO C=CCCCCC[C@H](N)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219532631 1315320316 /nfs/dbraw/zinc/32/03/16/1315320316.db2.gz BKHJUOGKHWLKPM-ZQIUZPCESA-N 1 3 329.444 2.537 20 30 EFEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054133197 1315343328 /nfs/dbraw/zinc/34/33/28/1315343328.db2.gz XZIYOPOTGWGDEM-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054133197 1315343334 /nfs/dbraw/zinc/34/33/34/1315343334.db2.gz XZIYOPOTGWGDEM-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145235 1315363597 /nfs/dbraw/zinc/36/35/97/1315363597.db2.gz NKBUBHZQCDDBMR-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145235 1315363603 /nfs/dbraw/zinc/36/36/03/1315363603.db2.gz NKBUBHZQCDDBMR-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197471 1315441271 /nfs/dbraw/zinc/44/12/71/1315441271.db2.gz CECLITWFKSBFKL-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197471 1315441272 /nfs/dbraw/zinc/44/12/72/1315441272.db2.gz CECLITWFKSBFKL-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197345 1315441725 /nfs/dbraw/zinc/44/17/25/1315441725.db2.gz WJUWNCLFCJRGKW-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197345 1315441729 /nfs/dbraw/zinc/44/17/29/1315441729.db2.gz WJUWNCLFCJRGKW-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197795 1315442206 /nfs/dbraw/zinc/44/22/06/1315442206.db2.gz ISFWJCHAJTUHSN-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197795 1315442209 /nfs/dbraw/zinc/44/22/09/1315442209.db2.gz ISFWJCHAJTUHSN-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209117 1315458911 /nfs/dbraw/zinc/45/89/11/1315458911.db2.gz JPWBEWBIDSWWFU-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209117 1315458914 /nfs/dbraw/zinc/45/89/14/1315458914.db2.gz JPWBEWBIDSWWFU-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@H](O)CN1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001252593546 1315472029 /nfs/dbraw/zinc/47/20/29/1315472029.db2.gz JNMMTSHYLOOOOR-KRWDZBQOSA-N 1 3 325.456 2.992 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244406 1315514684 /nfs/dbraw/zinc/51/46/84/1315514684.db2.gz FCYPBDRIVNCQMR-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244406 1315514689 /nfs/dbraw/zinc/51/46/89/1315514689.db2.gz FCYPBDRIVNCQMR-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244401 1315515363 /nfs/dbraw/zinc/51/53/63/1315515363.db2.gz FCYPBDRIVNCQMR-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244401 1315515367 /nfs/dbraw/zinc/51/53/67/1315515367.db2.gz FCYPBDRIVNCQMR-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244403 1315515423 /nfs/dbraw/zinc/51/54/23/1315515423.db2.gz FCYPBDRIVNCQMR-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054244403 1315515427 /nfs/dbraw/zinc/51/54/27/1315515427.db2.gz FCYPBDRIVNCQMR-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132929 1315515710 /nfs/dbraw/zinc/51/57/10/1315515710.db2.gz DCDXXXUIMYXCDC-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132929 1315515714 /nfs/dbraw/zinc/51/57/14/1315515714.db2.gz DCDXXXUIMYXCDC-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179615 1315586886 /nfs/dbraw/zinc/58/68/86/1315586886.db2.gz BXDQUBFWEITQQX-OALUTQOASA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179615 1315586890 /nfs/dbraw/zinc/58/68/90/1315586890.db2.gz BXDQUBFWEITQQX-OALUTQOASA-N 1 3 335.536 2.709 20 30 EFEDHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278747242 1315650673 /nfs/dbraw/zinc/65/06/73/1315650673.db2.gz JGJVOKKMUXVAHT-HZPDHXFCSA-N 1 3 345.478 2.612 20 30 EFEDHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001278747242 1315650675 /nfs/dbraw/zinc/65/06/75/1315650675.db2.gz JGJVOKKMUXVAHT-HZPDHXFCSA-N 1 3 345.478 2.612 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236863 1315661702 /nfs/dbraw/zinc/66/17/02/1315661702.db2.gz FVVJWAXJRJOLBO-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236863 1315661704 /nfs/dbraw/zinc/66/17/04/1315661704.db2.gz FVVJWAXJRJOLBO-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO N#C[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038459 1315667518 /nfs/dbraw/zinc/66/75/18/1315667518.db2.gz IKRYVGNAFDXSIS-GOSISDBHSA-N 1 3 327.472 2.639 20 30 EFEDHO N#C[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038459 1315667520 /nfs/dbraw/zinc/66/75/20/1315667520.db2.gz IKRYVGNAFDXSIS-GOSISDBHSA-N 1 3 327.472 2.639 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001039397690 1315764038 /nfs/dbraw/zinc/76/40/38/1315764038.db2.gz VBQUEPCXGHDHJH-MOPGFXCFSA-N 1 3 345.531 2.728 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397690 1315764042 /nfs/dbraw/zinc/76/40/42/1315764042.db2.gz VBQUEPCXGHDHJH-MOPGFXCFSA-N 1 3 345.531 2.728 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001039423942 1315782657 /nfs/dbraw/zinc/78/26/57/1315782657.db2.gz UGBXLCOPENZWGG-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039423942 1315782659 /nfs/dbraw/zinc/78/26/59/1315782659.db2.gz UGBXLCOPENZWGG-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001256626080 1315971349 /nfs/dbraw/zinc/97/13/49/1315971349.db2.gz MNRLUHXBAOPFFY-XEOGZFBHSA-N 1 3 334.504 2.685 20 30 EFEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001256626080 1315971350 /nfs/dbraw/zinc/97/13/50/1315971350.db2.gz MNRLUHXBAOPFFY-XEOGZFBHSA-N 1 3 334.504 2.685 20 30 EFEDHO N#Cc1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256686941 1315981522 /nfs/dbraw/zinc/98/15/22/1315981522.db2.gz WRRGEJWNRFLMGR-UHFFFAOYSA-N 1 3 325.456 2.780 20 30 EFEDHO C=CCOC[C@@]12CCCO[C@@H]1CCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257215308 1316047903 /nfs/dbraw/zinc/04/79/03/1316047903.db2.gz AYUMTXNXGXOLFC-UXHICEINSA-N 1 3 336.520 2.933 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240775 1316160285 /nfs/dbraw/zinc/16/02/85/1316160285.db2.gz JJKHJEBFHNZCOW-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240775 1316160287 /nfs/dbraw/zinc/16/02/87/1316160287.db2.gz JJKHJEBFHNZCOW-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040432990 1316262886 /nfs/dbraw/zinc/26/28/86/1316262886.db2.gz QVKICAIDKCMJTM-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040432990 1316262888 /nfs/dbraw/zinc/26/28/88/1316262888.db2.gz QVKICAIDKCMJTM-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465524 1316281022 /nfs/dbraw/zinc/28/10/22/1316281022.db2.gz ZNUONEQQCBMHQT-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465524 1316281026 /nfs/dbraw/zinc/28/10/26/1316281026.db2.gz ZNUONEQQCBMHQT-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727931 1316361489 /nfs/dbraw/zinc/36/14/89/1316361489.db2.gz VSXZJZCDKQEGAN-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040848254 1316388609 /nfs/dbraw/zinc/38/86/09/1316388609.db2.gz GYIGCGOUYUMQET-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001040953583 1316410297 /nfs/dbraw/zinc/41/02/97/1316410297.db2.gz PQXLBHFCHIRGSF-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041667408 1316641907 /nfs/dbraw/zinc/64/19/07/1316641907.db2.gz DLRRJNLLJZEJCW-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041667408 1316641909 /nfs/dbraw/zinc/64/19/09/1316641909.db2.gz DLRRJNLLJZEJCW-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042125504 1316897109 /nfs/dbraw/zinc/89/71/09/1316897109.db2.gz UZYNDCSGNXVXRB-PKOBYXMFSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125504 1316897111 /nfs/dbraw/zinc/89/71/11/1316897111.db2.gz UZYNDCSGNXVXRB-PKOBYXMFSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001042162163 1316921892 /nfs/dbraw/zinc/92/18/92/1316921892.db2.gz GRPLJAXHENWDBY-QUCCMNQESA-N 1 3 341.499 2.513 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186186 1316940297 /nfs/dbraw/zinc/94/02/97/1316940297.db2.gz DRYMYKSFZBRYNY-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186186 1316940301 /nfs/dbraw/zinc/94/03/01/1316940301.db2.gz DRYMYKSFZBRYNY-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042363987 1317215931 /nfs/dbraw/zinc/21/59/31/1317215931.db2.gz BBLYKUCOBPVDMC-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042363987 1317215940 /nfs/dbraw/zinc/21/59/40/1317215940.db2.gz BBLYKUCOBPVDMC-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042363984 1317216242 /nfs/dbraw/zinc/21/62/42/1317216242.db2.gz BBLYKUCOBPVDMC-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042363984 1317216248 /nfs/dbraw/zinc/21/62/48/1317216248.db2.gz BBLYKUCOBPVDMC-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO Cc1cc(C#N)ccc1CN1CCCC2(C[NH+](CCn3ccnc3)C2)C1 ZINC001279696661 1317364797 /nfs/dbraw/zinc/36/47/97/1317364797.db2.gz DHODCDVVGGYSNO-UHFFFAOYSA-N 1 3 349.482 2.661 20 30 EFEDHO Cc1cc(C#N)ccc1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001279696876 1317365516 /nfs/dbraw/zinc/36/55/16/1317365516.db2.gz JMZTYBCZQAXBAC-UHFFFAOYSA-N 1 3 349.482 2.661 20 30 EFEDHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001492112581 1324216363 /nfs/dbraw/zinc/21/63/63/1324216363.db2.gz DIOKTFAUMCZSNA-MAUKXSAKSA-N 1 3 349.906 2.516 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001324225022 1329609334 /nfs/dbraw/zinc/60/93/34/1329609334.db2.gz GJLOJCGDTJWESY-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C[NH+](C)C1(CNCCC(=O)Nc2cccc(C#N)c2)CCCCC1 ZINC001326158376 1329735514 /nfs/dbraw/zinc/73/55/14/1329735514.db2.gz BEUWLOKVLSPEIY-UHFFFAOYSA-N 1 3 328.460 2.741 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001341072300 1332231695 /nfs/dbraw/zinc/23/16/95/1332231695.db2.gz OIMROIRRZCRGBW-RBUKOAKNSA-N 1 3 345.487 2.632 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570367 1332268859 /nfs/dbraw/zinc/26/88/59/1332268859.db2.gz XNGYHBFJNXDEHR-RTBURBONSA-N 1 3 329.488 2.698 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570367 1332268861 /nfs/dbraw/zinc/26/88/61/1332268861.db2.gz XNGYHBFJNXDEHR-RTBURBONSA-N 1 3 329.488 2.698 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341616449 1332271255 /nfs/dbraw/zinc/27/12/55/1332271255.db2.gz YTTUIMMSEKGXRG-NZSAHSFTSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001341616449 1332271258 /nfs/dbraw/zinc/27/12/58/1332271258.db2.gz YTTUIMMSEKGXRG-NZSAHSFTSA-N 1 3 329.488 2.697 20 30 EFEDHO CC(C)C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972230 1332890944 /nfs/dbraw/zinc/89/09/44/1332890944.db2.gz IAIIUQDJIRUWKI-SFHVURJKSA-N 1 3 342.487 2.844 20 30 EFEDHO CC(C)C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972230 1332890949 /nfs/dbraw/zinc/89/09/49/1332890949.db2.gz IAIIUQDJIRUWKI-SFHVURJKSA-N 1 3 342.487 2.844 20 30 EFEDHO CC[C@H](C#N)Oc1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000848532806 1334779903 /nfs/dbraw/zinc/77/99/03/1334779903.db2.gz BAIUXLDWSDTTTO-RTBURBONSA-N 1 3 343.471 2.710 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001368347115 1339309487 /nfs/dbraw/zinc/30/94/87/1339309487.db2.gz KLICKQBZRPPIHV-WKILWMFISA-N 1 3 341.927 2.735 20 30 EFEDHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001368735603 1339655869 /nfs/dbraw/zinc/65/58/69/1339655869.db2.gz AFLSDJYPIARGDX-INIZCTEOSA-N 1 3 344.503 2.521 20 30 EFEDHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001368735654 1339656333 /nfs/dbraw/zinc/65/63/33/1339656333.db2.gz BKCOSNCUSZRCMV-INIZCTEOSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001368769666 1339694192 /nfs/dbraw/zinc/69/41/92/1339694192.db2.gz GTYVSSXJHREGJI-KRWDZBQOSA-N 1 3 343.943 2.886 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001392022326 1355721923 /nfs/dbraw/zinc/72/19/23/1355721923.db2.gz JWBCFOIEZOSNDN-UHFFFAOYSA-N 1 3 327.900 2.634 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197651 1355853871 /nfs/dbraw/zinc/85/38/71/1355853871.db2.gz RDRJTBUEJNQYHF-GOEBONIOSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197651 1355853876 /nfs/dbraw/zinc/85/38/76/1355853876.db2.gz RDRJTBUEJNQYHF-GOEBONIOSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197661 1355854461 /nfs/dbraw/zinc/85/44/61/1355854461.db2.gz RDRJTBUEJNQYHF-ZBFHGGJFSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197661 1355854462 /nfs/dbraw/zinc/85/44/62/1355854462.db2.gz RDRJTBUEJNQYHF-ZBFHGGJFSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001401083980 1362428140 /nfs/dbraw/zinc/42/81/40/1362428140.db2.gz WSAYRDTWGPPLQR-LJQANCHMSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001402064566 1363371480 /nfs/dbraw/zinc/37/14/80/1363371480.db2.gz ZMHNBNLPQNORTN-HUUCEWRRSA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001420753766 1377600658 /nfs/dbraw/zinc/60/06/58/1377600658.db2.gz BYYKGNYZHWPUJN-HOCLYGCPSA-N 1 3 329.916 2.542 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C1(N(C)C)CCC1)C(C)C ZINC001422660051 1380520781 /nfs/dbraw/zinc/52/07/81/1380520781.db2.gz DMUUWBGGGMSXMR-OAHLLOKOSA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001425963306 1383902486 /nfs/dbraw/zinc/90/24/86/1383902486.db2.gz VGJRCWVUHLPEKJ-LSDHHAIUSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001440887979 1389979967 /nfs/dbraw/zinc/97/99/67/1389979967.db2.gz FXEGUTZHPMMUEC-UHFFFAOYSA-N 1 3 329.916 2.689 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001508035568 1407256311 /nfs/dbraw/zinc/25/63/11/1407256311.db2.gz MLDJUSHSONWRJM-HNNXBMFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001567240559 1416007479 /nfs/dbraw/zinc/00/74/79/1416007479.db2.gz KSMVOKBBUQZCHI-SFHVURJKSA-N 1 3 345.531 2.707 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC=C(C)C)CC1 ZINC000969155631 712942171 /nfs/dbraw/zinc/94/21/71/712942171.db2.gz CKEPNJJNVLFTTF-FQEVSTJZSA-N 1 3 345.531 2.659 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC=C(C)C)CC1 ZINC000969155631 712942174 /nfs/dbraw/zinc/94/21/74/712942174.db2.gz CKEPNJJNVLFTTF-FQEVSTJZSA-N 1 3 345.531 2.659 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679596 713214309 /nfs/dbraw/zinc/21/43/09/713214309.db2.gz HAJHYDBRRAJEIF-IAGOWNOFSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679596 713214311 /nfs/dbraw/zinc/21/43/11/713214311.db2.gz HAJHYDBRRAJEIF-IAGOWNOFSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325996 713635970 /nfs/dbraw/zinc/63/59/70/713635970.db2.gz LWQXDMSEVXYMOU-APWZRJJASA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325996 713635974 /nfs/dbraw/zinc/63/59/74/713635974.db2.gz LWQXDMSEVXYMOU-APWZRJJASA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325998 713636024 /nfs/dbraw/zinc/63/60/24/713636024.db2.gz LWQXDMSEVXYMOU-LPHOPBHVSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325998 713636027 /nfs/dbraw/zinc/63/60/27/713636027.db2.gz LWQXDMSEVXYMOU-LPHOPBHVSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669954 714271476 /nfs/dbraw/zinc/27/14/76/714271476.db2.gz IYUICCCBCOPWKE-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669954 714271479 /nfs/dbraw/zinc/27/14/79/714271479.db2.gz IYUICCCBCOPWKE-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001022081789 714734871 /nfs/dbraw/zinc/73/48/71/714734871.db2.gz NKIAWNMOFNLLHD-OAGGEKHMSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022081789 714734872 /nfs/dbraw/zinc/73/48/72/714734872.db2.gz NKIAWNMOFNLLHD-OAGGEKHMSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001022588482 715237010 /nfs/dbraw/zinc/23/70/10/715237010.db2.gz JAZXEHVIMGRTTO-UXLLHSPISA-N 1 3 339.911 2.773 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588482 715237011 /nfs/dbraw/zinc/23/70/11/715237011.db2.gz JAZXEHVIMGRTTO-UXLLHSPISA-N 1 3 339.911 2.773 20 30 EFEDHO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947199 715369696 /nfs/dbraw/zinc/36/96/96/715369696.db2.gz NRAZBWQICYSRHZ-RTBURBONSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947199 715369701 /nfs/dbraw/zinc/36/97/01/715369701.db2.gz NRAZBWQICYSRHZ-RTBURBONSA-N 1 3 345.531 2.633 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038990 715444357 /nfs/dbraw/zinc/44/43/57/715444357.db2.gz MHJFTGMIGNLVJZ-DNVCBOLYSA-N 1 3 339.499 2.602 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038990 715444358 /nfs/dbraw/zinc/44/43/58/715444358.db2.gz MHJFTGMIGNLVJZ-DNVCBOLYSA-N 1 3 339.499 2.602 20 30 EFEDHO C=C(C)CN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975063788 715465180 /nfs/dbraw/zinc/46/51/80/715465180.db2.gz QTAFKSDWYNKURX-LJQANCHMSA-N 1 3 343.515 2.807 20 30 EFEDHO CC(C)OCC[NH+]1CCC(NCc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000176748436 715839809 /nfs/dbraw/zinc/83/98/09/715839809.db2.gz DDSAIRBZWKMLBR-KRWDZBQOSA-N 1 3 345.487 2.956 20 30 EFEDHO C=C(C)CN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977334212 716096983 /nfs/dbraw/zinc/09/69/83/716096983.db2.gz KIBJZJPHEKICAA-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CN1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977621847 716422242 /nfs/dbraw/zinc/42/22/42/716422242.db2.gz JLYDMRLQSYTGRP-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622096 716422484 /nfs/dbraw/zinc/42/24/84/716422484.db2.gz NYUJNVOKNCFLLX-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622096 716422488 /nfs/dbraw/zinc/42/24/88/716422488.db2.gz NYUJNVOKNCFLLX-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692623 716542015 /nfs/dbraw/zinc/54/20/15/716542015.db2.gz MGSBZFNTBUFKML-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692623 716542019 /nfs/dbraw/zinc/54/20/19/716542019.db2.gz MGSBZFNTBUFKML-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978953515 716599996 /nfs/dbraw/zinc/59/99/96/716599996.db2.gz UIGBBTSUWDPQQT-AKHDSKFASA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978953515 716600000 /nfs/dbraw/zinc/60/00/00/716600000.db2.gz UIGBBTSUWDPQQT-AKHDSKFASA-N 1 3 333.520 2.511 20 30 EFEDHO CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260583 718488151 /nfs/dbraw/zinc/48/81/51/718488151.db2.gz YNDCDUYOSJPVOX-RTBURBONSA-N 1 3 345.531 2.730 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045355 718489326 /nfs/dbraw/zinc/48/93/26/718489326.db2.gz FLZWBJNKXIPXEV-GOSISDBHSA-N 1 3 329.488 2.561 20 30 EFEDHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289356 718527528 /nfs/dbraw/zinc/52/75/28/718527528.db2.gz ZHBZGZKEJZCNDK-PMACEKPBSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542239 718800164 /nfs/dbraw/zinc/80/01/64/718800164.db2.gz SOFFOFQCDHOATP-WOJBJXKFSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137028 719121950 /nfs/dbraw/zinc/12/19/50/719121950.db2.gz DKVLUVRXDUKCBN-LJQANCHMSA-N 1 3 329.488 2.561 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628859 719251871 /nfs/dbraw/zinc/25/18/71/719251871.db2.gz XIGXUJGXPRSLLG-FXAWDEMLSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628859 719251872 /nfs/dbraw/zinc/25/18/72/719251872.db2.gz XIGXUJGXPRSLLG-FXAWDEMLSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630215 719255821 /nfs/dbraw/zinc/25/58/21/719255821.db2.gz RACLELDTBSOYGV-DLBZAZTESA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630215 719255822 /nfs/dbraw/zinc/25/58/22/719255822.db2.gz RACLELDTBSOYGV-DLBZAZTESA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)c3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC000982012179 719435596 /nfs/dbraw/zinc/43/55/96/719435596.db2.gz RLLLRMYVOCIYAF-UHFFFAOYSA-N 1 3 341.499 2.515 20 30 EFEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163700 719608469 /nfs/dbraw/zinc/60/84/69/719608469.db2.gz PIUVCWKWCRYXFL-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163700 719608473 /nfs/dbraw/zinc/60/84/73/719608473.db2.gz PIUVCWKWCRYXFL-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623959 720959895 /nfs/dbraw/zinc/95/98/95/720959895.db2.gz NDVOPYOVJGKGCR-NRSPTQNISA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623959 720959896 /nfs/dbraw/zinc/95/98/96/720959896.db2.gz NDVOPYOVJGKGCR-NRSPTQNISA-N 1 3 347.547 2.996 20 30 EFEDHO C[NH+]=C(NCC1(N(C)C)CCCC1)N(C)Cc1cc(Cl)cn1C ZINC000261987954 722664609 /nfs/dbraw/zinc/66/46/09/722664609.db2.gz QONBYTCSIGAZDQ-UHFFFAOYSA-N 1 3 339.915 2.560 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992860606 726309811 /nfs/dbraw/zinc/30/98/11/726309811.db2.gz OANKJQYPWHEJLG-IPMKNSEASA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993811545 727527927 /nfs/dbraw/zinc/52/79/27/727527927.db2.gz ZJYFEYZCGJRWDF-PXNSSMCTSA-N 1 3 343.515 2.950 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC[N@H+]1C ZINC000916410623 727681978 /nfs/dbraw/zinc/68/19/78/727681978.db2.gz XDOQSBOOPYUYMM-INIZCTEOSA-N 1 3 349.548 2.679 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC[N@@H+]1C ZINC000916410623 727681980 /nfs/dbraw/zinc/68/19/80/727681980.db2.gz XDOQSBOOPYUYMM-INIZCTEOSA-N 1 3 349.548 2.679 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994454968 727758010 /nfs/dbraw/zinc/75/80/10/727758010.db2.gz AFJKUDAFDSUZMY-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994454968 727758012 /nfs/dbraw/zinc/75/80/12/727758012.db2.gz AFJKUDAFDSUZMY-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001574902793 1088144557 /nfs/dbraw/zinc/14/45/57/1088144557.db2.gz GXUNIZWCIMHGMQ-RBUKOAKNSA-N 1 3 329.488 2.932 20 30 EFEDHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267152023 1092929093 /nfs/dbraw/zinc/92/90/93/1092929093.db2.gz HFXIRHGEWXKINF-INIZCTEOSA-N 1 3 349.906 2.518 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075458540 1093230071 /nfs/dbraw/zinc/23/00/71/1093230071.db2.gz JFYUSPUMSQQDBZ-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075458540 1093230081 /nfs/dbraw/zinc/23/00/81/1093230081.db2.gz JFYUSPUMSQQDBZ-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458443 1093230321 /nfs/dbraw/zinc/23/03/21/1093230321.db2.gz GBYUWCPAAYMGJH-RBUKOAKNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458443 1093230328 /nfs/dbraw/zinc/23/03/28/1093230328.db2.gz GBYUWCPAAYMGJH-RBUKOAKNSA-N 1 3 347.547 2.855 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458761 1093233110 /nfs/dbraw/zinc/23/31/10/1093233110.db2.gz PEZVJEXEEKZXSJ-ICSRJNTNSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458761 1093233114 /nfs/dbraw/zinc/23/31/14/1093233114.db2.gz PEZVJEXEEKZXSJ-ICSRJNTNSA-N 1 3 347.547 2.691 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395608 1100555685 /nfs/dbraw/zinc/55/56/85/1100555685.db2.gz BIBSUNKEFKXBSC-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395608 1100555690 /nfs/dbraw/zinc/55/56/90/1100555690.db2.gz BIBSUNKEFKXBSC-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396768 1100593613 /nfs/dbraw/zinc/59/36/13/1100593613.db2.gz VISJUGLYEPCXGY-IBGZPJMESA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396768 1100593617 /nfs/dbraw/zinc/59/36/17/1100593617.db2.gz VISJUGLYEPCXGY-IBGZPJMESA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671872 1100652775 /nfs/dbraw/zinc/65/27/75/1100652775.db2.gz UJVZWYILFACFLL-OTWHNJEPSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671872 1100652778 /nfs/dbraw/zinc/65/27/78/1100652778.db2.gz UJVZWYILFACFLL-OTWHNJEPSA-N 1 3 333.520 2.796 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H]2CC)CC1 ZINC001087840163 1100852450 /nfs/dbraw/zinc/85/24/50/1100852450.db2.gz KLXHYNSBRSXIDF-RBUKOAKNSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2CC)CC1 ZINC001087840163 1100852457 /nfs/dbraw/zinc/85/24/57/1100852457.db2.gz KLXHYNSBRSXIDF-RBUKOAKNSA-N 1 3 347.547 2.737 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966822 1101096149 /nfs/dbraw/zinc/09/61/49/1101096149.db2.gz XAIBDCWIVXMMHD-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966822 1101096154 /nfs/dbraw/zinc/09/61/54/1101096154.db2.gz XAIBDCWIVXMMHD-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129293 1101623461 /nfs/dbraw/zinc/62/34/61/1101623461.db2.gz GTWABIRMPLVUCY-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129293 1101623465 /nfs/dbraw/zinc/62/34/65/1101623465.db2.gz GTWABIRMPLVUCY-CEXWTWQISA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167437979 1101737470 /nfs/dbraw/zinc/73/74/70/1101737470.db2.gz LCYBYJOGGXCNCY-CVEARBPZSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167437979 1101737480 /nfs/dbraw/zinc/73/74/80/1101737480.db2.gz LCYBYJOGGXCNCY-CVEARBPZSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210893 1101883244 /nfs/dbraw/zinc/88/32/44/1101883244.db2.gz GXKWDBGTZVPUDT-MJGOQNOKSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210893 1101883267 /nfs/dbraw/zinc/88/32/67/1101883267.db2.gz GXKWDBGTZVPUDT-MJGOQNOKSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232729 1102098530 /nfs/dbraw/zinc/09/85/30/1102098530.db2.gz OGSWYQNYWSUAPU-LJQANCHMSA-N 1 3 339.499 2.651 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311852 1102842325 /nfs/dbraw/zinc/84/23/25/1102842325.db2.gz IKOXEJJUKFMQLD-SJORKVTESA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311852 1102842348 /nfs/dbraw/zinc/84/23/48/1102842348.db2.gz IKOXEJJUKFMQLD-SJORKVTESA-N 1 3 341.927 2.973 20 30 EFEDHO C=CCOC[C@@]12CCCO[C@@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378561 1104119274 /nfs/dbraw/zinc/11/92/74/1104119274.db2.gz WLNVRCFEJDWTJX-RTWAWAEBSA-N 1 3 348.531 2.935 20 30 EFEDHO C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(CC)CC)C1 ZINC001105442750 1104155596 /nfs/dbraw/zinc/15/55/96/1104155596.db2.gz NFKXFAMTVUINEH-TYKWCNGQSA-N 1 3 343.515 2.711 20 30 EFEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105563164 1105942026 /nfs/dbraw/zinc/94/20/26/1105942026.db2.gz GADLRHLQDUMRRJ-RTBURBONSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040237161 1106069235 /nfs/dbraw/zinc/06/92/35/1106069235.db2.gz RKZRFHQFCCQYLO-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040237161 1106069241 /nfs/dbraw/zinc/06/92/41/1106069241.db2.gz RKZRFHQFCCQYLO-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249939 1107648064 /nfs/dbraw/zinc/64/80/64/1107648064.db2.gz GKQQMADULMFBGG-ICSRJNTNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249939 1107648070 /nfs/dbraw/zinc/64/80/70/1107648070.db2.gz GKQQMADULMFBGG-ICSRJNTNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040392552 1108220657 /nfs/dbraw/zinc/22/06/57/1108220657.db2.gz UZCUWPIEVYHOSY-NRFANRHFSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040392552 1108220664 /nfs/dbraw/zinc/22/06/64/1108220664.db2.gz UZCUWPIEVYHOSY-NRFANRHFSA-N 1 3 347.547 2.999 20 30 EFEDHO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000924722985 1108869637 /nfs/dbraw/zinc/86/96/37/1108869637.db2.gz PULOPRULXSKOBV-KRWDZBQOSA-N 1 3 328.504 2.852 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811901 1109099201 /nfs/dbraw/zinc/09/92/01/1109099201.db2.gz BHSVXKTYHMXCGX-NZSAHSFTSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811901 1109099205 /nfs/dbraw/zinc/09/92/05/1109099205.db2.gz BHSVXKTYHMXCGX-NZSAHSFTSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666756 1111709390 /nfs/dbraw/zinc/70/93/90/1111709390.db2.gz TVTKBXQFYRRDJW-IPMKNSEASA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106667937 1111711728 /nfs/dbraw/zinc/71/17/28/1111711728.db2.gz CYZBSDMLYOUWRA-FGTMMUONSA-N 1 3 335.536 2.757 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106730555 1111775469 /nfs/dbraw/zinc/77/54/69/1111775469.db2.gz FAQGZEPJYGPOCD-DJIMGWMZSA-N 1 3 341.927 2.686 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089385805 1112048857 /nfs/dbraw/zinc/04/88/57/1112048857.db2.gz JTNUNTBJGAMHJY-GOSISDBHSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089385805 1112048861 /nfs/dbraw/zinc/04/88/61/1112048861.db2.gz JTNUNTBJGAMHJY-GOSISDBHSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089561128 1112309830 /nfs/dbraw/zinc/30/98/30/1112309830.db2.gz MKXPIJTUORQEMM-LJQANCHMSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089561128 1112309833 /nfs/dbraw/zinc/30/98/33/1112309833.db2.gz MKXPIJTUORQEMM-LJQANCHMSA-N 1 3 341.499 2.602 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641783 1112434706 /nfs/dbraw/zinc/43/47/06/1112434706.db2.gz SPFVDUOZZFMXEF-ZWKOTPCHSA-N 1 3 333.520 2.511 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649138 1112464255 /nfs/dbraw/zinc/46/42/55/1112464255.db2.gz BZFGDQYOWQVSEQ-MSOLQXFVSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649138 1112464258 /nfs/dbraw/zinc/46/42/58/1112464258.db2.gz BZFGDQYOWQVSEQ-MSOLQXFVSA-N 1 3 335.536 2.757 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089820459 1117879691 /nfs/dbraw/zinc/87/96/91/1117879691.db2.gz MRAMZYJSNPGDDG-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089820459 1117879696 /nfs/dbraw/zinc/87/96/96/1117879696.db2.gz MRAMZYJSNPGDDG-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089821638 1117924018 /nfs/dbraw/zinc/92/40/18/1117924018.db2.gz WPGCTPSSEBXFFG-LEAZDLGRSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089821638 1117924020 /nfs/dbraw/zinc/92/40/20/1117924020.db2.gz WPGCTPSSEBXFFG-LEAZDLGRSA-N 1 3 345.531 2.606 20 30 EFEDHO C#CCN1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001040911977 1118034785 /nfs/dbraw/zinc/03/47/85/1118034785.db2.gz JUKAKGGBAKZELE-IBGZPJMESA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001040911977 1118034789 /nfs/dbraw/zinc/03/47/89/1118034789.db2.gz JUKAKGGBAKZELE-IBGZPJMESA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272718757 1119177017 /nfs/dbraw/zinc/17/70/17/1119177017.db2.gz MKKHRSZLPJQNBN-SFHVURJKSA-N 1 3 333.520 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)C[C@@H]2C)CC1 ZINC000945183879 1120663640 /nfs/dbraw/zinc/66/36/40/1120663640.db2.gz UGTMHDQEBQHKAD-PXNSSMCTSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)C[C@@H]2C)CC1 ZINC000945183879 1120663642 /nfs/dbraw/zinc/66/36/42/1120663642.db2.gz UGTMHDQEBQHKAD-PXNSSMCTSA-N 1 3 347.547 2.594 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000423277203 283139276 /nfs/dbraw/zinc/13/92/76/283139276.db2.gz NXBMVOCICJSHOR-ICSRJNTNSA-N 1 3 326.488 2.630 20 30 EFEDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857890 216319273 /nfs/dbraw/zinc/31/92/73/216319273.db2.gz DGONWCGPHNDOJR-CQSZACIVSA-N 1 3 348.878 2.814 20 30 EFEDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000072857890 216319275 /nfs/dbraw/zinc/31/92/75/216319275.db2.gz DGONWCGPHNDOJR-CQSZACIVSA-N 1 3 348.878 2.814 20 30 EFEDHO [NH2+]=C(NC[C@H]1CCCN(Cc2cccs2)C1)Nc1ccccn1 ZINC000170911502 239135250 /nfs/dbraw/zinc/13/52/50/239135250.db2.gz SSUFPQOJQJJLIC-CQSZACIVSA-N 1 3 329.473 2.782 20 30 EFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000192834306 240067638 /nfs/dbraw/zinc/06/76/38/240067638.db2.gz JRVKEQHTBPPKSC-RTBURBONSA-N 1 3 327.472 2.815 20 30 EFEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCCC[C@@H]1C ZINC000262025040 240341572 /nfs/dbraw/zinc/34/15/72/240341572.db2.gz ZFJXPDUCUXVMIJ-GJZGRUSLSA-N 1 3 346.475 2.837 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000297040690 241109366 /nfs/dbraw/zinc/10/93/66/241109366.db2.gz MNLUOBXLDAMIQR-IPQPSQTFSA-N 1 3 348.535 2.609 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000297040690 241109368 /nfs/dbraw/zinc/10/93/68/241109368.db2.gz MNLUOBXLDAMIQR-IPQPSQTFSA-N 1 3 348.535 2.609 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000358384378 242117403 /nfs/dbraw/zinc/11/74/03/242117403.db2.gz QETCOIGSWUSFEJ-UHFFFAOYSA-N 1 3 348.535 2.687 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416147183 244530931 /nfs/dbraw/zinc/53/09/31/244530931.db2.gz AEYLNWYWXVWYGW-LJQANCHMSA-N 1 3 329.488 2.836 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442711200 250105581 /nfs/dbraw/zinc/10/55/81/250105581.db2.gz RPTPAWGPWUUQQV-WOJBJXKFSA-N 1 3 326.488 2.606 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442711198 250106111 /nfs/dbraw/zinc/10/61/11/250106111.db2.gz RPTPAWGPWUUQQV-VQTJNVASSA-N 1 3 326.488 2.606 20 30 EFEDHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449114401 250920499 /nfs/dbraw/zinc/92/04/99/250920499.db2.gz CHIRPKSWDVGMJQ-UHFFFAOYSA-N 1 3 342.487 2.540 20 30 EFEDHO COc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1C#N ZINC000174277254 533674261 /nfs/dbraw/zinc/67/42/61/533674261.db2.gz WLYFQRXLCVREQY-UHFFFAOYSA-N 1 3 339.439 2.797 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375543970 287142019 /nfs/dbraw/zinc/14/20/19/287142019.db2.gz BYJSHJUDQDTWQS-SJORKVTESA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000375543970 287142020 /nfs/dbraw/zinc/14/20/20/287142020.db2.gz BYJSHJUDQDTWQS-SJORKVTESA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000375543970 287142021 /nfs/dbraw/zinc/14/20/21/287142021.db2.gz BYJSHJUDQDTWQS-SJORKVTESA-N 1 3 326.488 2.720 20 30 EFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000281789944 266273406 /nfs/dbraw/zinc/27/34/06/266273406.db2.gz UIRVYOGGGSEFAJ-QFBILLFUSA-N 1 3 345.487 2.793 20 30 EFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000281789935 266273627 /nfs/dbraw/zinc/27/36/27/266273627.db2.gz UIRVYOGGGSEFAJ-APWZRJJASA-N 1 3 345.487 2.793 20 30 EFEDHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000271831694 267182292 /nfs/dbraw/zinc/18/22/92/267182292.db2.gz FDGFNENGGYMMAH-SFHVURJKSA-N 1 3 349.482 2.816 20 30 EFEDHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286166014 274146203 /nfs/dbraw/zinc/14/62/03/274146203.db2.gz QDRYWWGSRNJADU-SFHVURJKSA-N 1 3 326.488 2.849 20 30 EFEDHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330243375 276005969 /nfs/dbraw/zinc/00/59/69/276005969.db2.gz WRUVQMYTRJURRB-KZNAEPCWSA-N 1 3 337.508 2.585 20 30 EFEDHO CN1CCN(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1(C)C ZINC000442878655 277106709 /nfs/dbraw/zinc/10/67/09/277106709.db2.gz UHYXTICZLOMIKH-FQEVSTJZSA-N 1 3 340.515 2.941 20 30 EFEDHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172972 280197836 /nfs/dbraw/zinc/19/78/36/280197836.db2.gz LSAUEMCOFLZPST-AZUAARDMSA-N 1 3 326.488 2.767 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375543966 290245634 /nfs/dbraw/zinc/24/56/34/290245634.db2.gz BYJSHJUDQDTWQS-IAGOWNOFSA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000375543966 290245635 /nfs/dbraw/zinc/24/56/35/290245635.db2.gz BYJSHJUDQDTWQS-IAGOWNOFSA-N 1 3 326.488 2.720 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000375543966 290245637 /nfs/dbraw/zinc/24/56/37/290245637.db2.gz BYJSHJUDQDTWQS-IAGOWNOFSA-N 1 3 326.488 2.720 20 30 EFEDHO C[N@@H+]1CCC[C@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304941 /nfs/dbraw/zinc/30/49/41/473304941.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 1 3 326.488 2.550 20 30 EFEDHO C[N@H+]1CCC[C@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124795209 473304944 /nfs/dbraw/zinc/30/49/44/473304944.db2.gz QRIFJPUFFUGIAH-FQEVSTJZSA-N 1 3 326.488 2.550 20 30 EFEDHO CC(C)(CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCCC1 ZINC000083029905 473314786 /nfs/dbraw/zinc/31/47/86/473314786.db2.gz JMLRYQPHPMZXKT-MRXNPFEDSA-N 1 3 330.476 2.679 20 30 EFEDHO CC(C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC1 ZINC000083030753 473315716 /nfs/dbraw/zinc/31/57/16/473315716.db2.gz FGTCSMAHNMSCGR-IRXDYDNUSA-N 1 3 330.476 2.535 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000098093132 472517586 /nfs/dbraw/zinc/51/75/86/472517586.db2.gz FUBGVNAHULDSHS-UHFFFAOYSA-N 1 3 325.456 2.566 20 30 EFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000130383827 472602923 /nfs/dbraw/zinc/60/29/23/472602923.db2.gz WKRIDDSHYYEWDO-SJLPKXTDSA-N 1 3 343.471 2.568 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCC(C)(C)N2CCC[C@H](C)C2)cc1OC ZINC000104178967 472658947 /nfs/dbraw/zinc/65/89/47/472658947.db2.gz UIPUHJRTLQZMPT-AWEZNQCLSA-N 1 3 348.491 2.941 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000072725181 472708999 /nfs/dbraw/zinc/70/89/99/472708999.db2.gz NQCAHWCXUXMNSL-QGZVFWFLSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000072725181 472709004 /nfs/dbraw/zinc/70/90/04/472709004.db2.gz NQCAHWCXUXMNSL-QGZVFWFLSA-N 1 3 328.460 2.693 20 30 EFEDHO N#Cc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000105495516 472753460 /nfs/dbraw/zinc/75/34/60/472753460.db2.gz SFOATWSABCBJNM-UHFFFAOYSA-N 1 3 335.451 2.805 20 30 EFEDHO C#CCOc1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735110 473136119 /nfs/dbraw/zinc/13/61/19/473136119.db2.gz XHZCHYHNJMOWFB-UHFFFAOYSA-N 1 3 342.483 2.775 20 30 EFEDHO CCN1CCN(CCCC[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000125876492 473467067 /nfs/dbraw/zinc/46/70/67/473467067.db2.gz LTKLHYBAJFLAID-UHFFFAOYSA-N 1 3 340.515 2.618 20 30 EFEDHO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185697092 473491263 /nfs/dbraw/zinc/49/12/63/473491263.db2.gz PHYRUFBBZAGJCJ-BPAFIMBUSA-N 1 3 327.472 2.834 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185782236 473512592 /nfs/dbraw/zinc/51/25/92/473512592.db2.gz NWNVBBBTDGFPTC-WIYYLYMNSA-N 1 3 340.515 2.996 20 30 EFEDHO C=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000186056022 473580675 /nfs/dbraw/zinc/58/06/75/473580675.db2.gz DRQKNEGKWLQMCW-KRWDZBQOSA-N 1 3 329.488 2.957 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCC2CCN(c3ccncc3)CC2)cc1 ZINC000179738662 473714736 /nfs/dbraw/zinc/71/47/36/473714736.db2.gz QDVZJFVJDSADHW-UHFFFAOYSA-N 1 3 339.443 2.733 20 30 EFEDHO COc1cc(CNCc2cccc(OCC[NH+](C)C)c2)ccc1C#N ZINC000281812622 473845399 /nfs/dbraw/zinc/84/53/99/473845399.db2.gz WEDXTFMGLJHPJK-UHFFFAOYSA-N 1 3 339.439 2.797 20 30 EFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180280560 473846356 /nfs/dbraw/zinc/84/63/56/473846356.db2.gz AYJIUBMWQKMDNR-RBUKOAKNSA-N 1 3 337.471 2.921 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)N2CCCC2)cc1OC ZINC000264123005 473951850 /nfs/dbraw/zinc/95/18/50/473951850.db2.gz RLXQGYQLAGPXEK-MRXNPFEDSA-N 1 3 348.491 2.941 20 30 EFEDHO C=CCN1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264481201 474009165 /nfs/dbraw/zinc/00/91/65/474009165.db2.gz LKHWMAOERIZNSV-UHFFFAOYSA-N 1 3 327.472 2.663 20 30 EFEDHO CN(C)CCOc1ccc(CNC(=[NH2+])Nc2cc(F)ccc2F)cc1 ZINC000288728498 474034325 /nfs/dbraw/zinc/03/43/25/474034325.db2.gz NDBKVZWQAANHBA-UHFFFAOYSA-N 1 3 348.397 2.832 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181492772 474041171 /nfs/dbraw/zinc/04/11/71/474041171.db2.gz FBMXIIATCNACAG-SFHVURJKSA-N 1 3 344.503 2.657 20 30 EFEDHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774216 474063390 /nfs/dbraw/zinc/06/33/90/474063390.db2.gz SQSHEYOAEUOYIN-SJORKVTESA-N 1 3 343.471 2.740 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271893 474138762 /nfs/dbraw/zinc/13/87/62/474138762.db2.gz HWNWJUPYNNDOMH-IERDGZPVSA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271893 474138766 /nfs/dbraw/zinc/13/87/66/474138766.db2.gz HWNWJUPYNNDOMH-IERDGZPVSA-N 1 3 335.451 2.976 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275698565 474285915 /nfs/dbraw/zinc/28/59/15/474285915.db2.gz SHYSHTKVVDXRFP-UHFFFAOYSA-N 1 3 344.503 2.953 20 30 EFEDHO CC(C)CNC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267232946 474624774 /nfs/dbraw/zinc/62/47/74/474624774.db2.gz AQUQYJZVPNLOMZ-UHFFFAOYSA-N 1 3 346.519 2.618 20 30 EFEDHO C#CCOc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654390 474758079 /nfs/dbraw/zinc/75/80/79/474758079.db2.gz SSITYCIWHRWDNN-QZTJIDSGSA-N 1 3 330.472 2.850 20 30 EFEDHO C#CCOc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654390 474758086 /nfs/dbraw/zinc/75/80/86/474758086.db2.gz SSITYCIWHRWDNN-QZTJIDSGSA-N 1 3 330.472 2.850 20 30 EFEDHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459420 475025401 /nfs/dbraw/zinc/02/54/01/475025401.db2.gz SFPDSAYHECDTCC-OALUTQOASA-N 1 3 338.455 2.573 20 30 EFEDHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459420 475025408 /nfs/dbraw/zinc/02/54/08/475025408.db2.gz SFPDSAYHECDTCC-OALUTQOASA-N 1 3 338.455 2.573 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460269 475039209 /nfs/dbraw/zinc/03/92/09/475039209.db2.gz ZMMBBRTUSRWPLX-IPMKNSEASA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000337460269 475039219 /nfs/dbraw/zinc/03/92/19/475039219.db2.gz ZMMBBRTUSRWPLX-IPMKNSEASA-N 1 3 348.535 2.611 20 30 EFEDHO C#CCN(C)CCCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000293951262 475059319 /nfs/dbraw/zinc/05/93/19/475059319.db2.gz KAMRXVSRSSINLD-UHFFFAOYSA-N 1 3 329.488 2.602 20 30 EFEDHO C#CCN(C)CCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000293951262 475059325 /nfs/dbraw/zinc/05/93/25/475059325.db2.gz KAMRXVSRSSINLD-UHFFFAOYSA-N 1 3 329.488 2.602 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000339265701 475099053 /nfs/dbraw/zinc/09/90/53/475099053.db2.gz VGFYCOHIHVNIFQ-GOSISDBHSA-N 1 3 325.456 2.750 20 30 EFEDHO Cc1nc(NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)cc1C#N ZINC000292651378 475134118 /nfs/dbraw/zinc/13/41/18/475134118.db2.gz PFOCLMSIRBVOAF-UHFFFAOYSA-N 1 3 347.894 2.886 20 30 EFEDHO CN(C)CC1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCCC1 ZINC000262387509 475229458 /nfs/dbraw/zinc/22/94/58/475229458.db2.gz QHZPZLIZWJTKDN-MRXNPFEDSA-N 1 3 330.476 2.537 20 30 EFEDHO C=CC[N@@H+](CC[C@H]1CCCN1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055009 475372269 /nfs/dbraw/zinc/37/22/69/475372269.db2.gz XXZDZOJHEVRPDF-FUHWJXTLSA-N 1 3 340.475 2.696 20 30 EFEDHO C=CC[N@H+](CC[C@H]1CCCN1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055009 475372277 /nfs/dbraw/zinc/37/22/77/475372277.db2.gz XXZDZOJHEVRPDF-FUHWJXTLSA-N 1 3 340.475 2.696 20 30 EFEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000348112988 475400105 /nfs/dbraw/zinc/40/01/05/475400105.db2.gz GQBKZGHTVZWWJR-GJYPPUQNSA-N 1 3 338.455 2.620 20 30 EFEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000348112988 475400112 /nfs/dbraw/zinc/40/01/12/475400112.db2.gz GQBKZGHTVZWWJR-GJYPPUQNSA-N 1 3 338.455 2.620 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000346306434 475582259 /nfs/dbraw/zinc/58/22/59/475582259.db2.gz NDQOEPWBJUITRD-OALUTQOASA-N 1 3 325.456 2.846 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CC[N@@H+](C)C1 ZINC000352902718 475664584 /nfs/dbraw/zinc/66/45/84/475664584.db2.gz QHJYRBCITSBJOP-MRXNPFEDSA-N 1 3 349.548 2.536 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CC[N@H+](C)C1 ZINC000352902718 475664589 /nfs/dbraw/zinc/66/45/89/475664589.db2.gz QHJYRBCITSBJOP-MRXNPFEDSA-N 1 3 349.548 2.536 20 30 EFEDHO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353268636 475820137 /nfs/dbraw/zinc/82/01/37/475820137.db2.gz RIPQKTCJULOIAR-LJQANCHMSA-N 1 3 336.439 2.671 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(C)C ZINC000354068997 476403777 /nfs/dbraw/zinc/40/37/77/476403777.db2.gz WCRRMWVMGPDWFS-QRBPQYNOSA-N 1 3 347.547 2.955 20 30 EFEDHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000363642743 476472792 /nfs/dbraw/zinc/47/27/92/476472792.db2.gz DWOSQRFMASVTOU-CALCHBBNSA-N 1 3 327.472 2.879 20 30 EFEDHO C[C@@H]1C[N@H+](CC2CCN(Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000363642743 476472801 /nfs/dbraw/zinc/47/28/01/476472801.db2.gz DWOSQRFMASVTOU-CALCHBBNSA-N 1 3 327.472 2.879 20 30 EFEDHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000351488735 476474698 /nfs/dbraw/zinc/47/46/98/476474698.db2.gz AURRKARKMVVFLD-QFBILLFUSA-N 1 3 338.455 2.621 20 30 EFEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224395 476519327 /nfs/dbraw/zinc/51/93/27/476519327.db2.gz NXNYPAUROOKXKD-WBVHZDCISA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224395 476519340 /nfs/dbraw/zinc/51/93/40/476519340.db2.gz NXNYPAUROOKXKD-WBVHZDCISA-N 1 3 328.460 2.691 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000415135533 476909885 /nfs/dbraw/zinc/90/98/85/476909885.db2.gz WTFYABDNYCHJMC-WOJBJXKFSA-N 1 3 330.472 2.970 20 30 EFEDHO N#Cc1ccc(CN2CCC(NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000423187637 476958783 /nfs/dbraw/zinc/95/87/83/476958783.db2.gz YIYRFERHBSFFON-UHFFFAOYSA-N 1 3 326.488 2.774 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+]CC3(N)CCCCC3)CC2)cc1 ZINC000423187637 476958787 /nfs/dbraw/zinc/95/87/87/476958787.db2.gz YIYRFERHBSFFON-UHFFFAOYSA-N 1 3 326.488 2.774 20 30 EFEDHO N#CCCC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000424140733 477306076 /nfs/dbraw/zinc/30/60/76/477306076.db2.gz BQHLTMIIKQEAFN-IBGZPJMESA-N 1 3 342.487 2.700 20 30 EFEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000424163079 477312930 /nfs/dbraw/zinc/31/29/30/477312930.db2.gz XIAXCMUTDZJSBX-SFHVURJKSA-N 1 3 328.460 2.675 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417541919 477456637 /nfs/dbraw/zinc/45/66/37/477456637.db2.gz SETMTZWAJMLLOL-LJQANCHMSA-N 1 3 344.503 2.806 20 30 EFEDHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449223440 477494546 /nfs/dbraw/zinc/49/45/46/477494546.db2.gz JVOQWHMVEWZSLT-UHFFFAOYSA-N 1 3 342.487 2.540 20 30 EFEDHO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965187 477773518 /nfs/dbraw/zinc/77/35/18/477773518.db2.gz LMTAEFGIDCZIJG-PMACEKPBSA-N 1 3 334.467 2.851 20 30 EFEDHO Cn1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965187 477773521 /nfs/dbraw/zinc/77/35/21/477773521.db2.gz LMTAEFGIDCZIJG-PMACEKPBSA-N 1 3 334.467 2.851 20 30 EFEDHO C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000516562259 477950238 /nfs/dbraw/zinc/95/02/38/477950238.db2.gz NYYCFUBCNNLQQQ-KUQKPQIMSA-N 1 3 328.460 2.763 20 30 EFEDHO CC(C)(C)[N@@H+]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527162783 478415577 /nfs/dbraw/zinc/41/55/77/478415577.db2.gz JXYKEEAKZXIBIA-GOSISDBHSA-N 1 3 338.455 2.573 20 30 EFEDHO CC(C)(C)[N@H+]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527162783 478415583 /nfs/dbraw/zinc/41/55/83/478415583.db2.gz JXYKEEAKZXIBIA-GOSISDBHSA-N 1 3 338.455 2.573 20 30 EFEDHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710200 478474074 /nfs/dbraw/zinc/47/40/74/478474074.db2.gz JUASGVMEDQREOO-ICSRJNTNSA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710200 478474079 /nfs/dbraw/zinc/47/40/79/478474079.db2.gz JUASGVMEDQREOO-ICSRJNTNSA-N 1 3 325.456 2.703 20 30 EFEDHO CCOC(=O)C1([C@H](C)NCc2ccc(C#N)c(Cl)c2)CC[NH2+]CC1 ZINC000591573348 478583455 /nfs/dbraw/zinc/58/34/55/478583455.db2.gz PJSFTDQHYJCNPN-ZDUSSCGKSA-N 1 3 349.862 2.623 20 30 EFEDHO CC(C)(C#N)C[C@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000598617128 478928473 /nfs/dbraw/zinc/92/84/73/478928473.db2.gz PYQGRBCMRKVDIB-INIZCTEOSA-N 1 3 338.455 2.658 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565489268 479020509 /nfs/dbraw/zinc/02/05/09/479020509.db2.gz REKVKQXEUYILCV-LJQANCHMSA-N 1 3 341.499 2.665 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565489268 479020514 /nfs/dbraw/zinc/02/05/14/479020514.db2.gz REKVKQXEUYILCV-LJQANCHMSA-N 1 3 341.499 2.665 20 30 EFEDHO Cn1cc(C[NH2+]C[C@@H]2CCCCN(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000598993503 479117877 /nfs/dbraw/zinc/11/78/77/479117877.db2.gz CUTJKQIXIJZYBI-KRWDZBQOSA-N 1 3 337.471 2.780 20 30 EFEDHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320211 479293850 /nfs/dbraw/zinc/29/38/50/479293850.db2.gz AQXLJKLQHPUNTK-OXQOHEQNSA-N 1 3 326.488 2.500 20 30 EFEDHO CCN1CCN(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390620 479365742 /nfs/dbraw/zinc/36/57/42/479365742.db2.gz LNZSQJVLGBVWFV-FQEVSTJZSA-N 1 3 326.488 2.553 20 30 EFEDHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390433 479366258 /nfs/dbraw/zinc/36/62/58/479366258.db2.gz AIRPEJVRBLISMW-HXUWFJFHSA-N 1 3 326.488 2.551 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](C)CCC#N)cc2)CC1 ZINC000602512365 479375980 /nfs/dbraw/zinc/37/59/80/479375980.db2.gz AQYKIWBTZGPWEE-SFHVURJKSA-N 1 3 328.504 2.854 20 30 EFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1OCC[NH+](C)C ZINC000602525968 479381544 /nfs/dbraw/zinc/38/15/44/479381544.db2.gz UNHHHERWJJDJIL-QGZVFWFLSA-N 1 3 345.487 2.816 20 30 EFEDHO C[C@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000602594813 479414573 /nfs/dbraw/zinc/41/45/73/479414573.db2.gz TYZCEYMSTQJCJS-QGZVFWFLSA-N 1 3 342.487 2.542 20 30 EFEDHO C[C@H](CC1(C#N)CCOCC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000602595339 479415436 /nfs/dbraw/zinc/41/54/36/479415436.db2.gz YQIWOHNBQWCUDS-GOSISDBHSA-N 1 3 349.519 2.710 20 30 EFEDHO C=CC[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000660573543 482033622 /nfs/dbraw/zinc/03/36/22/482033622.db2.gz IFDDUJYOZVKWMT-QGZVFWFLSA-N 1 3 348.535 2.543 20 30 EFEDHO C#CCN1CCC(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000069892506 518268484 /nfs/dbraw/zinc/26/84/84/518268484.db2.gz DUXLYKKONRQLJV-KRWDZBQOSA-N 1 3 341.499 2.577 20 30 EFEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171714432 526442676 /nfs/dbraw/zinc/44/26/76/526442676.db2.gz RNJZNLPNGLYOBO-LJQANCHMSA-N 1 3 341.499 2.665 20 30 EFEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171714432 526442680 /nfs/dbraw/zinc/44/26/80/526442680.db2.gz RNJZNLPNGLYOBO-LJQANCHMSA-N 1 3 341.499 2.665 20 30 EFEDHO C=CCN1CCC([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000177907445 526452223 /nfs/dbraw/zinc/45/22/23/526452223.db2.gz CISVKEGFAYCDIX-KRWDZBQOSA-N 1 3 331.504 2.928 20 30 EFEDHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccc(C#N)o2)CC1 ZINC000174275045 529149834 /nfs/dbraw/zinc/14/98/34/529149834.db2.gz DTFKVOFDZUZTFH-UHFFFAOYSA-N 1 3 338.455 2.579 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000262690494 535596917 /nfs/dbraw/zinc/59/69/17/535596917.db2.gz CDLLVLGGCQPKIT-HEHGZKQESA-N 1 3 338.858 2.724 20 30 EFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001112382467 1252031486 /nfs/dbraw/zinc/03/14/86/1252031486.db2.gz ZNTCVKDWILEJER-NSHGMRRFSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001112382466 1252032262 /nfs/dbraw/zinc/03/22/62/1252032262.db2.gz ZNTCVKDWILEJER-BJLQDIEVSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683661 1252159180 /nfs/dbraw/zinc/15/91/80/1252159180.db2.gz CGCMNPMWUWONFP-ROUUACIJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683661 1252159189 /nfs/dbraw/zinc/15/91/89/1252159189.db2.gz CGCMNPMWUWONFP-ROUUACIJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299984 1255184785 /nfs/dbraw/zinc/18/47/85/1255184785.db2.gz HWULHVLJTYLFHY-KXBFYZLASA-N 1 3 339.499 2.602 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107409558 1255758176 /nfs/dbraw/zinc/75/81/76/1255758176.db2.gz YCWTZFBYZQRHDY-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107409558 1255758185 /nfs/dbraw/zinc/75/81/85/1255758185.db2.gz YCWTZFBYZQRHDY-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436854 1255816378 /nfs/dbraw/zinc/81/63/78/1255816378.db2.gz UVUBNLUCBVTHMN-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436854 1255816389 /nfs/dbraw/zinc/81/63/89/1255816389.db2.gz UVUBNLUCBVTHMN-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107494890 1255975517 /nfs/dbraw/zinc/97/55/17/1255975517.db2.gz FBHZJJBJIJZPFS-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107494890 1255975520 /nfs/dbraw/zinc/97/55/20/1255975520.db2.gz FBHZJJBJIJZPFS-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567565 1256157180 /nfs/dbraw/zinc/15/71/80/1256157180.db2.gz ZHXJMQNJIFBICJ-NLWGTHIKSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107567565 1256157170 /nfs/dbraw/zinc/15/71/70/1256157170.db2.gz ZHXJMQNJIFBICJ-NLWGTHIKSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997431584 1257595776 /nfs/dbraw/zinc/59/57/76/1257595776.db2.gz PFRTUYKVMBPWNP-QGZVFWFLSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997828508 1258502394 /nfs/dbraw/zinc/50/23/94/1258502394.db2.gz JRQQESQEZDYPAA-AZUAARDMSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997828508 1258502397 /nfs/dbraw/zinc/50/23/97/1258502397.db2.gz JRQQESQEZDYPAA-AZUAARDMSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC(=C)C)CC2)CC1 ZINC000997873914 1258557420 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333.520 2.748 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469570 1263941210 /nfs/dbraw/zinc/94/12/10/1263941210.db2.gz BNTMMXURKFOKGZ-SJLPKXTDSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049765 1265029891 /nfs/dbraw/zinc/02/98/91/1265029891.db2.gz XVWHNLIYKKSTGA-QYZOEREBSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049765 1265029895 /nfs/dbraw/zinc/02/98/95/1265029895.db2.gz XVWHNLIYKKSTGA-QYZOEREBSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049706 1265030641 /nfs/dbraw/zinc/03/06/41/1265030641.db2.gz SXGZGXUBKSGCGL-QYZOEREBSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049706 1265030648 /nfs/dbraw/zinc/03/06/48/1265030648.db2.gz SXGZGXUBKSGCGL-QYZOEREBSA-N 1 3 333.520 2.748 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072587 1265076508 /nfs/dbraw/zinc/07/65/08/1265076508.db2.gz IKSAATKDYQGBER-AABGKKOBSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072587 1265076517 /nfs/dbraw/zinc/07/65/17/1265076517.db2.gz IKSAATKDYQGBER-AABGKKOBSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592730 1266587786 /nfs/dbraw/zinc/58/77/86/1266587786.db2.gz WLTSUMWQFSYPII-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592730 1266587797 /nfs/dbraw/zinc/58/77/97/1266587797.db2.gz WLTSUMWQFSYPII-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454870 1267080226 /nfs/dbraw/zinc/08/02/26/1267080226.db2.gz APRCZQQLDIUKGO-LJQANCHMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454870 1267080237 /nfs/dbraw/zinc/08/02/37/1267080237.db2.gz APRCZQQLDIUKGO-LJQANCHMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463427 1267090435 /nfs/dbraw/zinc/09/04/35/1267090435.db2.gz KCTWHRCAWFELPB-MOPGFXCFSA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463427 1267090446 /nfs/dbraw/zinc/09/04/46/1267090446.db2.gz KCTWHRCAWFELPB-MOPGFXCFSA-N 1 3 335.536 2.852 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004545369 1267263617 /nfs/dbraw/zinc/26/36/17/1267263617.db2.gz ZGZXIORHTGWPMA-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004545369 1267263624 /nfs/dbraw/zinc/26/36/24/1267263624.db2.gz ZGZXIORHTGWPMA-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545620 1267266359 /nfs/dbraw/zinc/26/63/59/1267266359.db2.gz FCGQKPGNASDMHA-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545620 1267266364 /nfs/dbraw/zinc/26/63/64/1267266364.db2.gz FCGQKPGNASDMHA-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004549246 1267274542 /nfs/dbraw/zinc/27/45/42/1267274542.db2.gz VTSVBUGDBOVGCR-RBUKOAKNSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004549246 1267274550 /nfs/dbraw/zinc/27/45/50/1267274550.db2.gz VTSVBUGDBOVGCR-RBUKOAKNSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549417 1267275231 /nfs/dbraw/zinc/27/52/31/1267275231.db2.gz ZBOOISUMRKUSAW-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549417 1267275236 /nfs/dbraw/zinc/27/52/36/1267275236.db2.gz ZBOOISUMRKUSAW-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)CC1 ZINC001085432498 1267458624 /nfs/dbraw/zinc/45/86/24/1267458624.db2.gz AUDWGEIIRFUDAJ-WOJBJXKFSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639969 1268097163 /nfs/dbraw/zinc/09/71/63/1268097163.db2.gz ZOLKHCRUOMBRFC-MOPGFXCFSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639969 1268097173 /nfs/dbraw/zinc/09/71/73/1268097173.db2.gz ZOLKHCRUOMBRFC-MOPGFXCFSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917128 1269068836 /nfs/dbraw/zinc/06/88/36/1269068836.db2.gz QSUITPNDFQPJLC-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419498 1269122218 /nfs/dbraw/zinc/12/22/18/1269122218.db2.gz ACNHISDHGLJLLO-IBGZPJMESA-N 1 3 329.488 2.513 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086158898 1270231738 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2.607 20 30 EFEDHO C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034479688 1272082052 /nfs/dbraw/zinc/08/20/52/1272082052.db2.gz APLOXTRDZXEVNM-MOPGFXCFSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001034479688 1272082067 /nfs/dbraw/zinc/08/20/67/1272082067.db2.gz APLOXTRDZXEVNM-MOPGFXCFSA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139419 1272698202 /nfs/dbraw/zinc/69/82/02/1272698202.db2.gz MNRLUHXBAOPFFY-OUUBHVDSSA-N 1 3 334.504 2.685 20 30 EFEDHO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139419 1272698210 /nfs/dbraw/zinc/69/82/10/1272698210.db2.gz MNRLUHXBAOPFFY-OUUBHVDSSA-N 1 3 334.504 2.685 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764392 1273467676 /nfs/dbraw/zinc/46/76/76/1273467676.db2.gz KQDGYFVBIPPSLY-XHSDSOJGSA-N 1 3 341.927 2.686 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765385 1273468958 /nfs/dbraw/zinc/46/89/58/1273468958.db2.gz PHURPINZTCRUML-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226373 1273843756 /nfs/dbraw/zinc/84/37/56/1273843756.db2.gz HCSHZXVNGOUFDB-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226373 1273843767 /nfs/dbraw/zinc/84/37/67/1273843767.db2.gz HCSHZXVNGOUFDB-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239745 1273906223 /nfs/dbraw/zinc/90/62/23/1273906223.db2.gz ZSAAGSVZAGZHCF-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239745 1273906230 /nfs/dbraw/zinc/90/62/30/1273906230.db2.gz ZSAAGSVZAGZHCF-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035256637 1273945913 /nfs/dbraw/zinc/94/59/13/1273945913.db2.gz LAMDNAZRQLMJMA-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035256637 1273945917 /nfs/dbraw/zinc/94/59/17/1273945917.db2.gz LAMDNAZRQLMJMA-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035720104 1274406465 /nfs/dbraw/zinc/40/64/65/1274406465.db2.gz GHGOZETULRLERF-IBGZPJMESA-N 1 3 345.531 2.894 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035720104 1274406471 /nfs/dbraw/zinc/40/64/71/1274406471.db2.gz GHGOZETULRLERF-IBGZPJMESA-N 1 3 345.531 2.894 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035732956 1274422010 /nfs/dbraw/zinc/42/20/10/1274422010.db2.gz JXHJEXVGKJVEOK-QZTJIDSGSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035732956 1274422021 /nfs/dbraw/zinc/42/20/21/1274422021.db2.gz JXHJEXVGKJVEOK-QZTJIDSGSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035823453 1274518548 /nfs/dbraw/zinc/51/85/48/1274518548.db2.gz FOWFXZJLWKUGFG-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCCCCC)C2 ZINC001112547500 1275113115 /nfs/dbraw/zinc/11/31/15/1275113115.db2.gz VWADNLGKVZEMPJ-FPOVZHCZSA-N 1 3 347.547 2.740 20 30 EFEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112585661 1275310066 /nfs/dbraw/zinc/31/00/66/1275310066.db2.gz KSSPYQBZFOCEFX-NSHGMRRFSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036302075 1275382544 /nfs/dbraw/zinc/38/25/44/1275382544.db2.gz HUJJMBNMHBDPOC-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036302077 1275383401 /nfs/dbraw/zinc/38/34/01/1275383401.db2.gz HUJJMBNMHBDPOC-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001086819956 1276502000 /nfs/dbraw/zinc/50/20/00/1276502000.db2.gz INRROSIAJIJJNJ-GVDBMIGSSA-N 1 3 341.927 2.876 20 30 EFEDHO N#Cc1ccc([C@@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000818954413 1276557105 /nfs/dbraw/zinc/55/71/05/1276557105.db2.gz VIZZPLDYHLMRRC-NRFANRHFSA-N 1 3 335.451 2.977 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873084 1276562045 /nfs/dbraw/zinc/56/20/45/1276562045.db2.gz JGPWFBJDKFGWKF-LJQANCHMSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873084 1276562048 /nfs/dbraw/zinc/56/20/48/1276562048.db2.gz JGPWFBJDKFGWKF-LJQANCHMSA-N 1 3 333.520 2.892 20 30 EFEDHO N=C(Nc1cccc(N2CC[NH2+]CC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171182991 1279648959 /nfs/dbraw/zinc/64/89/59/1279648959.db2.gz YWNUQTFJOUYNCX-UHFFFAOYSA-N 1 3 346.434 2.992 20 30 EFEDHO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262667 1287384175 /nfs/dbraw/zinc/38/41/75/1287384175.db2.gz JMWAUZLXGFWQCF-CRAIPNDOSA-N 1 3 327.488 2.650 20 30 EFEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262659 1280067521 /nfs/dbraw/zinc/06/75/21/1280067521.db2.gz IBVKFUJFRLDVHE-ZSYWTGECSA-N 1 3 335.536 2.876 20 30 EFEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262659 1280067530 /nfs/dbraw/zinc/06/75/30/1280067530.db2.gz IBVKFUJFRLDVHE-ZSYWTGECSA-N 1 3 335.536 2.876 20 30 EFEDHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N)N(C)C ZINC001175315535 1287398644 /nfs/dbraw/zinc/39/86/44/1287398644.db2.gz GIMHPVUNUDITCU-APWZRJJASA-N 1 3 344.503 2.663 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614626 1280951893 /nfs/dbraw/zinc/95/18/93/1280951893.db2.gz ZCMDHHYISXPTII-MSOLQXFVSA-N 1 3 347.547 2.785 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614629 1280952806 /nfs/dbraw/zinc/95/28/06/1280952806.db2.gz ZCMDHHYISXPTII-ZWKOTPCHSA-N 1 3 347.547 2.785 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146624968 1280957101 /nfs/dbraw/zinc/95/71/01/1280957101.db2.gz SPIOBWJKABEIIO-HUUCEWRRSA-N 1 3 337.895 2.987 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725026 1281248500 /nfs/dbraw/zinc/24/85/00/1281248500.db2.gz QLCQSFJCHQPWRF-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147725026 1281248506 /nfs/dbraw/zinc/24/85/06/1281248506.db2.gz QLCQSFJCHQPWRF-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291847 1281496702 /nfs/dbraw/zinc/49/67/02/1281496702.db2.gz DHBCFMDCNSNBBD-KRWDZBQOSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291847 1281496706 /nfs/dbraw/zinc/49/67/06/1281496706.db2.gz DHBCFMDCNSNBBD-KRWDZBQOSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315547 1281514995 /nfs/dbraw/zinc/51/49/95/1281514995.db2.gz OJWGQAQAJWSPSI-KRWDZBQOSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315547 1281515000 /nfs/dbraw/zinc/51/50/00/1281515000.db2.gz OJWGQAQAJWSPSI-KRWDZBQOSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834051 1281760198 /nfs/dbraw/zinc/76/01/98/1281760198.db2.gz UMRJVCSCMGEDFQ-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834051 1281760207 /nfs/dbraw/zinc/76/02/07/1281760207.db2.gz UMRJVCSCMGEDFQ-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834052 1281760486 /nfs/dbraw/zinc/76/04/86/1281760486.db2.gz UMRJVCSCMGEDFQ-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834052 1281760491 /nfs/dbraw/zinc/76/04/91/1281760491.db2.gz UMRJVCSCMGEDFQ-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945522 1281979773 /nfs/dbraw/zinc/97/97/73/1281979773.db2.gz CWGAQRHMCJIQMQ-MRXNPFEDSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071281 1282369166 /nfs/dbraw/zinc/36/91/66/1282369166.db2.gz OFNMYQBRUCXFAL-DYXWJJEUSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071281 1282369173 /nfs/dbraw/zinc/36/91/73/1282369173.db2.gz OFNMYQBRUCXFAL-DYXWJJEUSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717700 1283225067 /nfs/dbraw/zinc/22/50/67/1283225067.db2.gz ZUOWSADULDYTPZ-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717700 1283225074 /nfs/dbraw/zinc/22/50/74/1283225074.db2.gz ZUOWSADULDYTPZ-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120801 1283263784 /nfs/dbraw/zinc/26/37/84/1283263784.db2.gz NZNCZYCCNIQWOU-QRVBRYPASA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093120801 1283263793 /nfs/dbraw/zinc/26/37/93/1283263793.db2.gz NZNCZYCCNIQWOU-QRVBRYPASA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC/C=C/CC)C2)CC1 ZINC001132518643 1283777475 /nfs/dbraw/zinc/77/74/75/1283777475.db2.gz MBUNGTBRALHSIV-KQPGTDLCSA-N 1 3 345.531 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC/C=C/CC)C2)CC1 ZINC001132518643 1283777485 /nfs/dbraw/zinc/77/74/85/1283777485.db2.gz MBUNGTBRALHSIV-KQPGTDLCSA-N 1 3 345.531 2.657 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361538 1283784320 /nfs/dbraw/zinc/78/43/20/1283784320.db2.gz LPWXWOZHGXZKQG-MOPGFXCFSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361538 1283784327 /nfs/dbraw/zinc/78/43/27/1283784327.db2.gz LPWXWOZHGXZKQG-MOPGFXCFSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361297 1283784380 /nfs/dbraw/zinc/78/43/80/1283784380.db2.gz JVIIEGOWBWLQTB-OALUTQOASA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361297 1283784388 /nfs/dbraw/zinc/78/43/88/1283784388.db2.gz JVIIEGOWBWLQTB-OALUTQOASA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371195 1283805384 /nfs/dbraw/zinc/80/53/84/1283805384.db2.gz LUUGOMDEGHQJFQ-OALUTQOASA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371195 1283805397 /nfs/dbraw/zinc/80/53/97/1283805397.db2.gz LUUGOMDEGHQJFQ-OALUTQOASA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377041 1283828194 /nfs/dbraw/zinc/82/81/94/1283828194.db2.gz FOEJCJRRVYREGX-XLIONFOSSA-N 1 3 345.531 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377041 1283828210 /nfs/dbraw/zinc/82/82/10/1283828210.db2.gz FOEJCJRRVYREGX-XLIONFOSSA-N 1 3 345.531 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382962 1283853895 /nfs/dbraw/zinc/85/38/95/1283853895.db2.gz GSDUEMLICBKITE-HXUWFJFHSA-N 1 3 345.531 2.751 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382962 1283853905 /nfs/dbraw/zinc/85/39/05/1283853905.db2.gz GSDUEMLICBKITE-HXUWFJFHSA-N 1 3 345.531 2.751 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133120804 1284829120 /nfs/dbraw/zinc/82/91/20/1284829120.db2.gz BHDWQDRPFDBMOV-GDBMZVCRSA-N 1 3 343.943 2.791 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133121976 1284832541 /nfs/dbraw/zinc/83/25/41/1284832541.db2.gz NCNQZMJGAYCEED-MSOLQXFVSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413621 1285036997 /nfs/dbraw/zinc/03/69/97/1285036997.db2.gz GOPFEEIJNFKTDT-NLWGTHIKSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413621 1285037007 /nfs/dbraw/zinc/03/70/07/1285037007.db2.gz GOPFEEIJNFKTDT-NLWGTHIKSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528920 1285254695 /nfs/dbraw/zinc/25/46/95/1285254695.db2.gz BRUHEWHQJPWNBY-NLWGTHIKSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528920 1285254707 /nfs/dbraw/zinc/25/47/07/1285254707.db2.gz BRUHEWHQJPWNBY-NLWGTHIKSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)N(C)C ZINC001133399365 1285323963 /nfs/dbraw/zinc/32/39/63/1285323963.db2.gz KYDFHIZXTGPVST-QGZVFWFLSA-N 1 3 337.895 2.784 20 30 EFEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCCC[NH+](C)C ZINC001133410581 1285371361 /nfs/dbraw/zinc/37/13/61/1285371361.db2.gz OUPFVABYKKNWSR-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO C=CCCCCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856615 1286031463 /nfs/dbraw/zinc/03/14/63/1286031463.db2.gz LITMJDMAQWHRHT-SFHVURJKSA-N 1 3 327.488 2.651 20 30 EFEDHO CN1CCN(Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173584916 1286707913 /nfs/dbraw/zinc/70/79/13/1286707913.db2.gz RAFQKYTUEOKVBE-UHFFFAOYSA-N 1 3 340.515 2.996 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772760 1287169837 /nfs/dbraw/zinc/16/98/37/1287169837.db2.gz HJQWLZDMYBWAIL-ZWKOTPCHSA-N 1 3 343.515 2.641 20 30 EFEDHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176284391 1287922979 /nfs/dbraw/zinc/92/29/79/1287922979.db2.gz FQMPHSQXBUPJSZ-QGZVFWFLSA-N 1 3 344.503 2.665 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C)CC1 ZINC001176736657 1288087435 /nfs/dbraw/zinc/08/74/35/1288087435.db2.gz CUWFNOQVCZENDE-GOSISDBHSA-N 1 3 333.520 2.562 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC1 ZINC001176736819 1288088090 /nfs/dbraw/zinc/08/80/90/1288088090.db2.gz FOCLOIAEEDMQBL-GOSISDBHSA-N 1 3 335.536 2.642 20 30 EFEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177339340 1288397656 /nfs/dbraw/zinc/39/76/56/1288397656.db2.gz CRMSQJMSWYKHNN-IBGZPJMESA-N 1 3 335.536 2.901 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001177378944 1288409254 /nfs/dbraw/zinc/40/92/54/1288409254.db2.gz PLWQVJIHGKBJNF-UHFFFAOYSA-N 1 3 347.547 2.883 20 30 EFEDHO C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)CCCC[NH+](C)C ZINC001135965996 1288689319 /nfs/dbraw/zinc/68/93/19/1288689319.db2.gz HGCCDCPYUAGQTE-DLBZAZTESA-N 1 3 344.503 2.663 20 30 EFEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179590947 1289192301 /nfs/dbraw/zinc/19/23/01/1289192301.db2.gz MOXMNCHIGYFINT-UHFFFAOYSA-N 1 3 329.916 2.737 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171193 1290608256 /nfs/dbraw/zinc/60/82/56/1290608256.db2.gz URRUGMYBWVEPTA-GOEBONIOSA-N 1 3 343.943 2.791 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185171195 1290609385 /nfs/dbraw/zinc/60/93/85/1290609385.db2.gz URRUGMYBWVEPTA-HOCLYGCPSA-N 1 3 343.943 2.791 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185381830 1290662365 /nfs/dbraw/zinc/66/23/65/1290662365.db2.gz SIIVUKMOSMZVKA-OALUTQOASA-N 1 3 335.536 2.759 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185741056 1290753857 /nfs/dbraw/zinc/75/38/57/1290753857.db2.gz GUWCVZHROBSIRL-APWZRJJASA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185741057 1290753681 /nfs/dbraw/zinc/75/36/81/1290753681.db2.gz GUWCVZHROBSIRL-LPHOPBHVSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001188330947 1291370925 /nfs/dbraw/zinc/37/09/25/1291370925.db2.gz MDSNGWSIJUCBGD-FQEVSTJZSA-N 1 3 341.499 2.876 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC000957563962 1291772007 /nfs/dbraw/zinc/77/20/07/1291772007.db2.gz UYDVOBINBIPODU-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016611743 1312880893 /nfs/dbraw/zinc/88/08/93/1312880893.db2.gz FSRBFKLECKKBRD-QZTJIDSGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957605836 1291859889 /nfs/dbraw/zinc/85/98/89/1291859889.db2.gz LXINEQHAOUVJJA-INIZCTEOSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049466106 1312890197 /nfs/dbraw/zinc/89/01/97/1312890197.db2.gz ZJIGYAJHNNDEJJ-GUDVDZBRSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049466106 1312890201 /nfs/dbraw/zinc/89/02/01/1312890201.db2.gz ZJIGYAJHNNDEJJ-GUDVDZBRSA-N 1 3 333.520 2.891 20 30 EFEDHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)CC2)CC1 ZINC000957647413 1291959525 /nfs/dbraw/zinc/95/95/25/1291959525.db2.gz GXVVPUAOOMMNDP-LJQANCHMSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)CC2)CC1 ZINC000957647412 1291959655 /nfs/dbraw/zinc/95/96/55/1291959655.db2.gz GXVVPUAOOMMNDP-IBGZPJMESA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001016652335 1312904415 /nfs/dbraw/zinc/90/44/15/1312904415.db2.gz RWXJXOPWRNQTJR-QZTJIDSGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001049509451 1312942396 /nfs/dbraw/zinc/94/23/96/1312942396.db2.gz USRBHFZCERUZCY-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001049509451 1312942400 /nfs/dbraw/zinc/94/24/00/1312942400.db2.gz USRBHFZCERUZCY-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862015 1313015553 /nfs/dbraw/zinc/01/55/53/1313015553.db2.gz RQFNWKIYXGZAHC-MSOLQXFVSA-N 1 3 333.520 2.796 20 30 EFEDHO C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565662 1313025422 /nfs/dbraw/zinc/02/54/22/1313025422.db2.gz VYFIPJDJLCJZGL-OALUTQOASA-N 1 3 345.531 2.728 20 30 EFEDHO C#CCCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565662 1313025426 /nfs/dbraw/zinc/02/54/26/1313025426.db2.gz VYFIPJDJLCJZGL-OALUTQOASA-N 1 3 345.531 2.728 20 30 EFEDHO C=C(C)CC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203888872 1313041794 /nfs/dbraw/zinc/04/17/94/1313041794.db2.gz QWZBVMIISZAKMT-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016922477 1313044371 /nfs/dbraw/zinc/04/43/71/1313044371.db2.gz DIKIUFWZQYWOCS-QZTJIDSGSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016922802 1313044411 /nfs/dbraw/zinc/04/44/11/1313044411.db2.gz GTHPZZIQDRQFFW-MOPGFXCFSA-N 1 3 345.531 2.635 20 30 EFEDHO C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196024902 1294109046 /nfs/dbraw/zinc/10/90/46/1294109046.db2.gz KQEISLILGCQSKL-SFHVURJKSA-N 1 3 341.515 2.947 20 30 EFEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196024902 1294109047 /nfs/dbraw/zinc/10/90/47/1294109047.db2.gz KQEISLILGCQSKL-SFHVURJKSA-N 1 3 341.515 2.947 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196026119 1294110894 /nfs/dbraw/zinc/11/08/94/1294110894.db2.gz ZKTXPBOWCSXNRZ-SJORKVTESA-N 1 3 327.488 2.555 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196026119 1294110899 /nfs/dbraw/zinc/11/08/99/1294110899.db2.gz ZKTXPBOWCSXNRZ-SJORKVTESA-N 1 3 327.488 2.555 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC001196619844 1294308248 /nfs/dbraw/zinc/30/82/48/1294308248.db2.gz NFUPYJWBTYPOEN-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC001196619844 1294308252 /nfs/dbraw/zinc/30/82/52/1294308252.db2.gz NFUPYJWBTYPOEN-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC001196619842 1294308446 /nfs/dbraw/zinc/30/84/46/1294308446.db2.gz NFUPYJWBTYPOEN-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC001196619842 1294308454 /nfs/dbraw/zinc/30/84/54/1294308454.db2.gz NFUPYJWBTYPOEN-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1 ZINC000303785481 1294581503 /nfs/dbraw/zinc/58/15/03/1294581503.db2.gz QMHRNOATTWJAQR-CQSZACIVSA-N 1 3 328.382 2.594 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000303881944 1294597597 /nfs/dbraw/zinc/59/75/97/1294597597.db2.gz HYBQWMZISHJDAB-UONOGXRCSA-N 1 3 334.464 2.551 20 30 EFEDHO CCCCOc1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000303882403 1294598073 /nfs/dbraw/zinc/59/80/73/1294598073.db2.gz IAJQPQNALXCRPW-QGZVFWFLSA-N 1 3 332.492 2.754 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)cc1OC ZINC000303893010 1294599141 /nfs/dbraw/zinc/59/91/41/1294599141.db2.gz NZHDDPJUCHFZMF-KBPBESRZSA-N 1 3 334.464 2.693 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000303907947 1294600617 /nfs/dbraw/zinc/60/06/17/1294600617.db2.gz XGJDSBPCIAMAHQ-UONOGXRCSA-N 1 3 334.464 2.693 20 30 EFEDHO C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642116 1313175948 /nfs/dbraw/zinc/17/59/48/1313175948.db2.gz HFWIIYJYXLOVPR-ROUUACIJSA-N 1 3 341.515 2.945 20 30 EFEDHO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642116 1313175951 /nfs/dbraw/zinc/17/59/51/1313175951.db2.gz HFWIIYJYXLOVPR-ROUUACIJSA-N 1 3 341.515 2.945 20 30 EFEDHO CCc1cccc2c(CCNC(=[NH2+])NC[C@@H]3CCCN3CC)c[nH]c21 ZINC000304740481 1295747198 /nfs/dbraw/zinc/74/71/98/1295747198.db2.gz BQNYIJRYKHVLEM-KRWDZBQOSA-N 1 3 341.503 2.661 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OCC(C)C)cc1 ZINC000304755678 1295750484 /nfs/dbraw/zinc/75/04/84/1295750484.db2.gz NAEIWABKAMROPI-SFHVURJKSA-N 1 3 346.519 2.653 20 30 EFEDHO N#Cc1cncc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275028229 1296222151 /nfs/dbraw/zinc/22/21/51/1296222151.db2.gz YMCPWUAVRJQGOC-UHFFFAOYSA-N 1 3 335.455 2.769 20 30 EFEDHO N#Cc1cncc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001275028229 1296222156 /nfs/dbraw/zinc/22/21/56/1296222156.db2.gz YMCPWUAVRJQGOC-UHFFFAOYSA-N 1 3 335.455 2.769 20 30 EFEDHO C#Cc1ccc(CN[C@@]23CC[C@@]([NH2+]COCCOC)(C2)CCC3)cc1 ZINC001275131568 1296235589 /nfs/dbraw/zinc/23/55/89/1296235589.db2.gz GRUCTMGYNFCZBZ-LEWJYISDSA-N 1 3 342.483 2.813 20 30 EFEDHO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275605205 1296321478 /nfs/dbraw/zinc/32/14/78/1296321478.db2.gz GGAHXGMHJDGKJC-CALCHBBNSA-N 1 3 335.455 2.625 20 30 EFEDHO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001275605205 1296321493 /nfs/dbraw/zinc/32/14/93/1296321493.db2.gz GGAHXGMHJDGKJC-CALCHBBNSA-N 1 3 335.455 2.625 20 30 EFEDHO N#Cc1ccc(C2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000903824935 1313257372 /nfs/dbraw/zinc/25/73/72/1313257372.db2.gz VFDJNUSMYLICBD-VXKWHMMOSA-N 1 3 349.478 2.669 20 30 EFEDHO N#Cc1ccc(C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)cc1 ZINC000903824935 1313257376 /nfs/dbraw/zinc/25/73/76/1313257376.db2.gz VFDJNUSMYLICBD-VXKWHMMOSA-N 1 3 349.478 2.669 20 30 EFEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccccc3C#N)C2)C1 ZINC001275969019 1296464175 /nfs/dbraw/zinc/46/41/75/1296464175.db2.gz WYYCKFMHDJGNBJ-NRFANRHFSA-N 1 3 340.515 2.798 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049768215 1313278879 /nfs/dbraw/zinc/27/88/79/1313278879.db2.gz UVEHFJPSHGGSTM-GUDVDZBRSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049768215 1313278882 /nfs/dbraw/zinc/27/88/82/1313278882.db2.gz UVEHFJPSHGGSTM-GUDVDZBRSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000960310421 1296726288 /nfs/dbraw/zinc/72/62/88/1296726288.db2.gz KAWSERBFURITAC-TZIWHRDSSA-N 1 3 341.499 2.666 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049837739 1313368673 /nfs/dbraw/zinc/36/86/73/1313368673.db2.gz REMPXPIXSKZBBW-AQNXPRMDSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049837739 1313368677 /nfs/dbraw/zinc/36/86/77/1313368677.db2.gz REMPXPIXSKZBBW-AQNXPRMDSA-N 1 3 345.531 2.730 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849039 1313384702 /nfs/dbraw/zinc/38/47/02/1313384702.db2.gz MTLOCQKOOJKILQ-JKSUJKDBSA-N 1 3 330.476 2.719 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849039 1313384705 /nfs/dbraw/zinc/38/47/05/1313384705.db2.gz MTLOCQKOOJKILQ-JKSUJKDBSA-N 1 3 330.476 2.719 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049915166 1313478884 /nfs/dbraw/zinc/47/88/84/1313478884.db2.gz TXOWJUUPLXXXRT-XUVXKRRUSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049915166 1313478888 /nfs/dbraw/zinc/47/88/88/1313478888.db2.gz TXOWJUUPLXXXRT-XUVXKRRUSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961156614 1298222352 /nfs/dbraw/zinc/22/23/52/1298222352.db2.gz LGTQAWKEXPQKAG-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961156614 1298222355 /nfs/dbraw/zinc/22/23/55/1298222355.db2.gz LGTQAWKEXPQKAG-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049922100 1313487634 /nfs/dbraw/zinc/48/76/34/1313487634.db2.gz YCALJONJDMAYQD-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961231273 1298375604 /nfs/dbraw/zinc/37/56/04/1298375604.db2.gz NBAVQVLAGMCYOL-RBUKOAKNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961231273 1298375618 /nfs/dbraw/zinc/37/56/18/1298375618.db2.gz NBAVQVLAGMCYOL-RBUKOAKNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961231275 1298377100 /nfs/dbraw/zinc/37/71/00/1298377100.db2.gz NBAVQVLAGMCYOL-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961231275 1298377111 /nfs/dbraw/zinc/37/71/11/1298377111.db2.gz NBAVQVLAGMCYOL-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259585 1298431624 /nfs/dbraw/zinc/43/16/24/1298431624.db2.gz ISFUWHYTDIBVRU-PMACEKPBSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259585 1298431632 /nfs/dbraw/zinc/43/16/32/1298431632.db2.gz ISFUWHYTDIBVRU-PMACEKPBSA-N 1 3 347.547 2.855 20 30 EFEDHO CN(C)c1ccc(C(N)=[NH+]OCCN(C)Cc2ccc(F)cc2)cc1 ZINC000776417443 1298438096 /nfs/dbraw/zinc/43/80/96/1298438096.db2.gz XRXUFQANIATNIC-UHFFFAOYSA-N 1 3 344.434 2.661 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961372943 1298636654 /nfs/dbraw/zinc/63/66/54/1298636654.db2.gz FDXZHQUNJQBFFT-PMACEKPBSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961372943 1298636669 /nfs/dbraw/zinc/63/66/69/1298636669.db2.gz FDXZHQUNJQBFFT-PMACEKPBSA-N 1 3 347.547 2.853 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961376498 1298645954 /nfs/dbraw/zinc/64/59/54/1298645954.db2.gz TYTGQJPOZPDDMT-UXHICEINSA-N 1 3 347.547 2.547 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961376498 1298645967 /nfs/dbraw/zinc/64/59/67/1298645967.db2.gz TYTGQJPOZPDDMT-UXHICEINSA-N 1 3 347.547 2.547 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000961407344 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KYKSOURSPDEPOH-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000964035215 1301635668 /nfs/dbraw/zinc/63/56/68/1301635668.db2.gz UKGGQWPPOHDZAM-UHFFFAOYSA-N 1 3 341.927 2.830 20 30 EFEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192327 1313866364 /nfs/dbraw/zinc/86/63/64/1313866364.db2.gz ULYKYDMABHFRLE-ICSRJNTNSA-N 1 3 336.520 2.935 20 30 EFEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC000965933250 1303466638 /nfs/dbraw/zinc/46/66/38/1303466638.db2.gz VPLOWICJCXTPKZ-UHFFFAOYSA-N 1 3 341.499 2.955 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419532 1306290382 /nfs/dbraw/zinc/29/03/82/1306290382.db2.gz USGQTWFCRBUGML-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683220 1306565361 /nfs/dbraw/zinc/56/53/61/1306565361.db2.gz ZVMWQJSLRWPNBL-IEBWSBKVSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@H]2C)CC1 ZINC000968683220 1306565365 /nfs/dbraw/zinc/56/53/65/1306565365.db2.gz ZVMWQJSLRWPNBL-IEBWSBKVSA-N 1 3 347.547 2.594 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209644144 1314208484 /nfs/dbraw/zinc/20/84/84/1314208484.db2.gz ZBJMVGJKRKRWPA-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942446 1307953687 /nfs/dbraw/zinc/95/36/87/1307953687.db2.gz XPVSFPCBQHZTDL-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942446 1307953691 /nfs/dbraw/zinc/95/36/91/1307953691.db2.gz XPVSFPCBQHZTDL-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCN1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278205 1307955900 /nfs/dbraw/zinc/95/59/00/1307955900.db2.gz VZSHXZFSZAVFCT-PKOBYXMFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCCN1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278205 1307955906 /nfs/dbraw/zinc/95/59/06/1307955906.db2.gz VZSHXZFSZAVFCT-PKOBYXMFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943348 1307956221 /nfs/dbraw/zinc/95/62/21/1307956221.db2.gz IKGKPEPLNIYXCW-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943348 1307956224 /nfs/dbraw/zinc/95/62/24/1307956224.db2.gz IKGKPEPLNIYXCW-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943740 1307958746 /nfs/dbraw/zinc/95/87/46/1307958746.db2.gz NSZWSOQDIPHSRA-PZJWPPBQSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943740 1307958749 /nfs/dbraw/zinc/95/87/49/1307958749.db2.gz NSZWSOQDIPHSRA-PZJWPPBQSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966979 1308024124 /nfs/dbraw/zinc/02/41/24/1308024124.db2.gz KMBFMIMUHVCAEH-TZIWHRDSSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966979 1308024126 /nfs/dbraw/zinc/02/41/26/1308024126.db2.gz KMBFMIMUHVCAEH-TZIWHRDSSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510439 1308125619 /nfs/dbraw/zinc/12/56/19/1308125619.db2.gz PXKAXBZRFSVHQQ-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510439 1308125623 /nfs/dbraw/zinc/12/56/23/1308125623.db2.gz PXKAXBZRFSVHQQ-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C[NH2+]Cc1cccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001242996758 1314251238 /nfs/dbraw/zinc/25/12/38/1314251238.db2.gz NKWMCXYKFLTJOJ-OAHLLOKOSA-N 1 3 338.411 2.812 20 30 EFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001096101490 1308737955 /nfs/dbraw/zinc/73/79/55/1308737955.db2.gz XYVZGWOXDFCWLZ-RDGPPVDQSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001096101490 1308737957 /nfs/dbraw/zinc/73/79/57/1308737957.db2.gz XYVZGWOXDFCWLZ-RDGPPVDQSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701372 1314310442 /nfs/dbraw/zinc/31/04/42/1314310442.db2.gz FCLQZHFENHKVEX-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701372 1314310444 /nfs/dbraw/zinc/31/04/44/1314310444.db2.gz FCLQZHFENHKVEX-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703209 1314311102 /nfs/dbraw/zinc/31/11/02/1314311102.db2.gz RGVXPKIVMJUJFF-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703209 1314311105 /nfs/dbraw/zinc/31/11/05/1314311105.db2.gz RGVXPKIVMJUJFF-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047242155 1310393475 /nfs/dbraw/zinc/39/34/75/1310393475.db2.gz CBAFWYBWXYYFLI-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047242421 1310395253 /nfs/dbraw/zinc/39/52/53/1310395253.db2.gz FCWJCCMBPKKZHC-OALUTQOASA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256811 1310432357 /nfs/dbraw/zinc/43/23/57/1310432357.db2.gz OCSGCAXJMLLAOZ-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001047262673 1310448122 /nfs/dbraw/zinc/44/81/22/1310448122.db2.gz UDAVITNAUDSUHG-HXUWFJFHSA-N 1 3 347.547 2.855 20 30 EFEDHO CCCCCCCCCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521544 1311146488 /nfs/dbraw/zinc/14/64/88/1311146488.db2.gz VPOZLTSPVILOHC-FQEVSTJZSA-N 1 3 335.536 2.929 20 30 EFEDHO CCCCCCCCCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521544 1311146490 /nfs/dbraw/zinc/14/64/90/1311146490.db2.gz 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C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101363905 1311237245 /nfs/dbraw/zinc/23/72/45/1311237245.db2.gz FHYNJRKEBMLZKD-ZVDOUQERSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430482 1311309572 /nfs/dbraw/zinc/30/95/72/1311309572.db2.gz RZKDIZUCIGIFBO-CEXWTWQISA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430482 1311309573 /nfs/dbraw/zinc/30/95/73/1311309573.db2.gz RZKDIZUCIGIFBO-CEXWTWQISA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987985 1311339114 /nfs/dbraw/zinc/33/91/14/1311339114.db2.gz YXALFAMQPMZYEA-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987985 1311339117 /nfs/dbraw/zinc/33/91/17/1311339117.db2.gz YXALFAMQPMZYEA-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCCCC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225285688 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ZINC001217833221 1315116073 /nfs/dbraw/zinc/11/60/73/1315116073.db2.gz RMIDCYASVJGKCT-ICSRJNTNSA-N 1 3 343.471 2.570 20 30 EFEDHO N#Cc1cccc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001278588302 1315236829 /nfs/dbraw/zinc/23/68/29/1315236829.db2.gz ROSCUQUCKSAZPG-UHFFFAOYSA-N 1 3 349.482 2.743 20 30 EFEDHO N#Cc1cccc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001278588302 1315236833 /nfs/dbraw/zinc/23/68/33/1315236833.db2.gz ROSCUQUCKSAZPG-UHFFFAOYSA-N 1 3 349.482 2.743 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129238 1315337187 /nfs/dbraw/zinc/33/71/87/1315337187.db2.gz MYRODSLPEVPJRV-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129238 1315337191 /nfs/dbraw/zinc/33/71/91/1315337191.db2.gz MYRODSLPEVPJRV-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143712 1315361073 /nfs/dbraw/zinc/36/10/73/1315361073.db2.gz IMVCUTNRWMHPHM-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143712 1315361078 /nfs/dbraw/zinc/36/10/78/1315361078.db2.gz IMVCUTNRWMHPHM-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145236 1315363837 /nfs/dbraw/zinc/36/38/37/1315363837.db2.gz NKBUBHZQCDDBMR-UYAOXDASSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145236 1315363841 /nfs/dbraw/zinc/36/38/41/1315363841.db2.gz NKBUBHZQCDDBMR-UYAOXDASSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220484442 1315418883 /nfs/dbraw/zinc/41/88/83/1315418883.db2.gz FDQFKMNTTXJTHX-TZIWHRDSSA-N 1 3 341.499 2.571 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197324 1315441349 /nfs/dbraw/zinc/44/13/49/1315441349.db2.gz VZXXJOKYSNYDQY-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197324 1315441352 /nfs/dbraw/zinc/44/13/52/1315441352.db2.gz VZXXJOKYSNYDQY-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197467 1315441956 /nfs/dbraw/zinc/44/19/56/1315441956.db2.gz CECLITWFKSBFKL-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197467 1315441962 /nfs/dbraw/zinc/44/19/62/1315441962.db2.gz CECLITWFKSBFKL-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252598703 1315473421 /nfs/dbraw/zinc/47/34/21/1315473421.db2.gz PTNWMDFGMBKKNQ-LJQANCHMSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCC[C@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252598702 1315473925 /nfs/dbraw/zinc/47/39/25/1315473925.db2.gz PTNWMDFGMBKKNQ-IBGZPJMESA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154095 1315549495 /nfs/dbraw/zinc/54/94/95/1315549495.db2.gz PJNBGQLSOPDVAX-RBUKOAKNSA-N 1 3 335.536 2.709 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154095 1315549498 /nfs/dbraw/zinc/54/94/98/1315549498.db2.gz PJNBGQLSOPDVAX-RBUKOAKNSA-N 1 3 335.536 2.709 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552914 1315549912 /nfs/dbraw/zinc/54/99/12/1315549912.db2.gz JUHDMUMKDLWUEE-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221552914 1315549914 /nfs/dbraw/zinc/54/99/14/1315549914.db2.gz JUHDMUMKDLWUEE-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165427 1315565321 /nfs/dbraw/zinc/56/53/21/1315565321.db2.gz PVVKNLBHAHCDJZ-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165427 1315565324 /nfs/dbraw/zinc/56/53/24/1315565324.db2.gz PVVKNLBHAHCDJZ-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166494 1315566656 /nfs/dbraw/zinc/56/66/56/1315566656.db2.gz ZFKHVXKNDMOKKB-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166494 1315566658 /nfs/dbraw/zinc/56/66/58/1315566658.db2.gz ZFKHVXKNDMOKKB-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182494 1315589862 /nfs/dbraw/zinc/58/98/62/1315589862.db2.gz PBURGQDMGQHXBE-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182494 1315589864 /nfs/dbraw/zinc/58/98/64/1315589864.db2.gz PBURGQDMGQHXBE-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384944 1315754345 /nfs/dbraw/zinc/75/43/45/1315754345.db2.gz SFEDVEMNLVOOIT-QRVBRYPASA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039384944 1315754350 /nfs/dbraw/zinc/75/43/50/1315754350.db2.gz SFEDVEMNLVOOIT-QRVBRYPASA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1CCC ZINC001039385181 1315754849 /nfs/dbraw/zinc/75/48/49/1315754849.db2.gz AXFFVTJHKGXQMQ-CEXWTWQISA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1CCC ZINC001039385181 1315754853 /nfs/dbraw/zinc/75/48/53/1315754853.db2.gz AXFFVTJHKGXQMQ-CEXWTWQISA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001039386900 1315756494 /nfs/dbraw/zinc/75/64/94/1315756494.db2.gz KNXRMHJLYYAHAN-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039386900 1315756496 /nfs/dbraw/zinc/75/64/96/1315756496.db2.gz KNXRMHJLYYAHAN-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H](C)CCN(CC)CC)C2 ZINC001255944154 1315883215 /nfs/dbraw/zinc/88/32/15/1315883215.db2.gz SCHVMEATEDBAOI-AEFFLSMTSA-N 1 3 331.504 2.602 20 30 EFEDHO N#Cc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccc1Cl ZINC001256688375 1315982152 /nfs/dbraw/zinc/98/21/52/1315982152.db2.gz WVQCIYIONIRFHH-UHFFFAOYSA-N 1 3 333.863 2.945 20 30 EFEDHO C=CCOC[C@]12CCCO[C@H]1CCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257215309 1316047586 /nfs/dbraw/zinc/04/75/86/1316047586.db2.gz AYUMTXNXGXOLFC-VQTJNVASSA-N 1 3 336.520 2.933 20 30 EFEDHO C=CCOC[C@@]12CCCO[C@H]1CCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257215307 1316047989 /nfs/dbraw/zinc/04/79/89/1316047989.db2.gz AYUMTXNXGXOLFC-PMACEKPBSA-N 1 3 336.520 2.933 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040895301 1316399775 /nfs/dbraw/zinc/39/97/75/1316399775.db2.gz SQLRENKPPDOQMS-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO CC#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424632 1316549089 /nfs/dbraw/zinc/54/90/89/1316549089.db2.gz NBRNWTQHDJTVHA-OAQYLSRUSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424632 1316549091 /nfs/dbraw/zinc/54/90/91/1316549091.db2.gz NBRNWTQHDJTVHA-OAQYLSRUSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724341 1316666913 /nfs/dbraw/zinc/66/69/13/1316666913.db2.gz VJNLGOWJYBGRLI-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724341 1316666915 /nfs/dbraw/zinc/66/69/15/1316666915.db2.gz VJNLGOWJYBGRLI-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041843373 1316729754 /nfs/dbraw/zinc/72/97/54/1316729754.db2.gz QYYXNUFQOBYXHP-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041843373 1316729757 /nfs/dbraw/zinc/72/97/57/1316729757.db2.gz QYYXNUFQOBYXHP-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845390 1316731663 /nfs/dbraw/zinc/73/16/63/1316731663.db2.gz XTMSTLMZISAJAF-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845390 1316731665 /nfs/dbraw/zinc/73/16/65/1316731665.db2.gz XTMSTLMZISAJAF-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041845970 1316731875 /nfs/dbraw/zinc/73/18/75/1316731875.db2.gz UJCINGFWJOIURU-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001041845970 1316731878 /nfs/dbraw/zinc/73/18/78/1316731878.db2.gz UJCINGFWJOIURU-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO CCc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)ccc1C#N ZINC001280215327 1317479127 /nfs/dbraw/zinc/47/91/27/1317479127.db2.gz OKGQYVJJOGLTSD-SFTDATJTSA-N 1 3 349.482 2.666 20 30 EFEDHO CCc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)ccc1C#N ZINC001280215327 1317479130 /nfs/dbraw/zinc/47/91/30/1317479130.db2.gz OKGQYVJJOGLTSD-SFTDATJTSA-N 1 3 349.482 2.666 20 30 EFEDHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001492112580 1324216738 /nfs/dbraw/zinc/21/67/38/1324216738.db2.gz DIOKTFAUMCZSNA-CRAIPNDOSA-N 1 3 349.906 2.516 20 30 EFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001335398431 1331343246 /nfs/dbraw/zinc/34/32/46/1331343246.db2.gz PKLKMIUKAWKESP-QGZVFWFLSA-N 1 3 340.389 2.816 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570365 1332268724 /nfs/dbraw/zinc/26/87/24/1332268724.db2.gz XNGYHBFJNXDEHR-OALUTQOASA-N 1 3 329.488 2.698 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570365 1332268726 /nfs/dbraw/zinc/26/87/26/1332268726.db2.gz XNGYHBFJNXDEHR-OALUTQOASA-N 1 3 329.488 2.698 20 30 EFEDHO CC#CCN1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001757268 1333448413 /nfs/dbraw/zinc/44/84/13/1333448413.db2.gz QSIZUQTUIXSRHV-HXUWFJFHSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CCN1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001757268 1333448416 /nfs/dbraw/zinc/44/84/16/1333448416.db2.gz QSIZUQTUIXSRHV-HXUWFJFHSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679611 1334559101 /nfs/dbraw/zinc/55/91/01/1334559101.db2.gz FAGHWEAVHHQLFP-RJYAGPCLSA-N 1 3 339.499 2.650 20 30 EFEDHO C=CCSCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849072738 1335069184 /nfs/dbraw/zinc/06/91/84/1335069184.db2.gz CCUTYHYNTGMETE-UHFFFAOYSA-N 1 3 332.517 2.684 20 30 EFEDHO CCCCCCCC[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001357444634 1335307967 /nfs/dbraw/zinc/30/79/67/1335307967.db2.gz HVQFEQUXBGMLLD-DOTOQJQBSA-N 1 3 332.492 2.914 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC001357458664 1335308534 /nfs/dbraw/zinc/30/85/34/1335308534.db2.gz ZDSNVCSKUDQHFW-SLFFLAALSA-N 1 3 343.515 2.869 20 30 EFEDHO CC(C)(CC#N)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849116501 1335555569 /nfs/dbraw/zinc/55/55/69/1335555569.db2.gz RFYLZRYOKDRAFE-UHFFFAOYSA-N 1 3 327.476 2.705 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC ZINC001375292898 1342600547 /nfs/dbraw/zinc/60/05/47/1342600547.db2.gz YWADZBRALDQTGO-HZPDHXFCSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001375580775 1342900426 /nfs/dbraw/zinc/90/04/26/1342900426.db2.gz ZIRZKCQNGWJFOP-KRWDZBQOSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001375580775 1342900430 /nfs/dbraw/zinc/90/04/30/1342900430.db2.gz ZIRZKCQNGWJFOP-KRWDZBQOSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001379167887 1345638154 /nfs/dbraw/zinc/63/81/54/1345638154.db2.gz KFPWMFQOEVYMAW-GJZGRUSLSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CN[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001389695321 1353561573 /nfs/dbraw/zinc/56/15/73/1353561573.db2.gz RRGDEEKNUNZSMQ-KRWDZBQOSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676405 1387279722 /nfs/dbraw/zinc/27/97/22/1387279722.db2.gz XFVZUJSAZSEZGJ-HOTGVXAUSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676405 1387279726 /nfs/dbraw/zinc/27/97/26/1387279726.db2.gz XFVZUJSAZSEZGJ-HOTGVXAUSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001401302040 1362647412 /nfs/dbraw/zinc/64/74/12/1362647412.db2.gz VKLAASNQFMKFKS-ZFWWWQNUSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890804 1373378145 /nfs/dbraw/zinc/37/81/45/1373378145.db2.gz IBMCPPQGPGOJPG-IAGOWNOFSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001421580126 1378842554 /nfs/dbraw/zinc/84/25/54/1378842554.db2.gz RTFJMENJEUXMPH-YOEHRIQHSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001421580126 1378842557 /nfs/dbraw/zinc/84/25/57/1378842557.db2.gz RTFJMENJEUXMPH-YOEHRIQHSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001422996270 1381179872 /nfs/dbraw/zinc/17/98/72/1381179872.db2.gz HHHGAFLOSDMULY-OAHLLOKOSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001422996270 1381179879 /nfs/dbraw/zinc/17/98/79/1381179879.db2.gz HHHGAFLOSDMULY-OAHLLOKOSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)CNC[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001423478044 1381972022 /nfs/dbraw/zinc/97/20/22/1381972022.db2.gz BCCSGOVZYLLTQB-KRWDZBQOSA-N 1 3 335.879 2.695 20 30 EFEDHO C=C(Cl)CN[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001438833083 1388848866 /nfs/dbraw/zinc/84/88/66/1388848866.db2.gz GXKVOWBOBLRAMB-KRWDZBQOSA-N 1 3 341.927 2.591 20 30 EFEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001447964524 1391860217 /nfs/dbraw/zinc/86/02/17/1391860217.db2.gz MLCYONVILOIARW-INIZCTEOSA-N 1 3 343.943 2.935 20 30 EFEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001447964524 1391860229 /nfs/dbraw/zinc/86/02/29/1391860229.db2.gz MLCYONVILOIARW-INIZCTEOSA-N 1 3 343.943 2.935 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001505398765 1404552395 /nfs/dbraw/zinc/55/23/95/1404552395.db2.gz VGGBAUCERRDNJE-UHFFFAOYSA-N 1 3 341.927 2.641 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001568153245 1416426651 /nfs/dbraw/zinc/42/66/51/1416426651.db2.gz NZEZGKZIFFEPIR-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155504 712942160 /nfs/dbraw/zinc/94/21/60/712942160.db2.gz AGLMWJLIFVBXIT-LJQANCHMSA-N 1 3 341.499 2.746 20 30 EFEDHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155504 712942163 /nfs/dbraw/zinc/94/21/63/712942163.db2.gz AGLMWJLIFVBXIT-LJQANCHMSA-N 1 3 341.499 2.746 20 30 EFEDHO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155845 712942542 /nfs/dbraw/zinc/94/25/42/712942542.db2.gz DLALQTOBKSSDFY-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155845 712942545 /nfs/dbraw/zinc/94/25/45/712942545.db2.gz DLALQTOBKSSDFY-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153572 713533712 /nfs/dbraw/zinc/53/37/12/713533712.db2.gz BXDQUBFWEITQQX-RTBURBONSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153572 713533713 /nfs/dbraw/zinc/53/37/13/713533713.db2.gz BXDQUBFWEITQQX-RTBURBONSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159249 713602152 /nfs/dbraw/zinc/60/21/52/713602152.db2.gz IGMNZKNQSNNAOY-OALUTQOASA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159249 713602156 /nfs/dbraw/zinc/60/21/56/713602156.db2.gz IGMNZKNQSNNAOY-OALUTQOASA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159281 713602702 /nfs/dbraw/zinc/60/27/02/713602702.db2.gz IVYRIHSVJXNICV-LJQANCHMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159281 713602704 /nfs/dbraw/zinc/60/27/04/713602704.db2.gz IVYRIHSVJXNICV-LJQANCHMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970914985 714130017 /nfs/dbraw/zinc/13/00/17/714130017.db2.gz DQZAVLSUIDERFN-INIZCTEOSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671915 714275518 /nfs/dbraw/zinc/27/55/18/714275518.db2.gz XHFJZHZQESQBAS-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671915 714275519 /nfs/dbraw/zinc/27/55/19/714275519.db2.gz XHFJZHZQESQBAS-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739995 714403881 /nfs/dbraw/zinc/40/38/81/714403881.db2.gz PXULICSVHINRQP-UXHICEINSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739995 714403883 /nfs/dbraw/zinc/40/38/83/714403883.db2.gz PXULICSVHINRQP-UXHICEINSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251092 717980444 /nfs/dbraw/zinc/98/04/44/717980444.db2.gz FULBZSSOCAXMCA-WDSOQIARSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251092 717980449 /nfs/dbraw/zinc/98/04/49/717980449.db2.gz FULBZSSOCAXMCA-WDSOQIARSA-N 1 3 341.499 2.765 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617870 718027441 /nfs/dbraw/zinc/02/74/41/718027441.db2.gz MHBGODALIBDDHI-WOJBJXKFSA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617870 718027445 /nfs/dbraw/zinc/02/74/45/718027445.db2.gz MHBGODALIBDDHI-WOJBJXKFSA-N 1 3 345.531 2.778 20 30 EFEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000303710332 724416985 /nfs/dbraw/zinc/41/69/85/724416985.db2.gz OJABHMZWAVCDEO-CQSZACIVSA-N 1 3 334.464 2.695 20 30 EFEDHO C=CCC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622101 716422930 /nfs/dbraw/zinc/42/29/30/716422930.db2.gz NYUJNVOKNCFLLX-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622101 716422932 /nfs/dbraw/zinc/42/29/32/716422932.db2.gz NYUJNVOKNCFLLX-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576951 716701857 /nfs/dbraw/zinc/70/18/57/716701857.db2.gz APAKATBRDYJSLI-QFBILLFUSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576951 716701860 /nfs/dbraw/zinc/70/18/60/716701860.db2.gz APAKATBRDYJSLI-QFBILLFUSA-N 1 3 339.499 2.698 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763199 716975184 /nfs/dbraw/zinc/97/51/84/716975184.db2.gz DVNKTSKZNNRWJK-KRWDZBQOSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763199 716975186 /nfs/dbraw/zinc/97/51/86/716975186.db2.gz DVNKTSKZNNRWJK-KRWDZBQOSA-N 1 3 329.488 2.766 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001023761951 716976945 /nfs/dbraw/zinc/97/69/45/716976945.db2.gz NLFGGGMNAHYBSB-GOSISDBHSA-N 1 3 347.547 2.596 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001023761951 716976948 /nfs/dbraw/zinc/97/69/48/716976948.db2.gz NLFGGGMNAHYBSB-GOSISDBHSA-N 1 3 347.547 2.596 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710180 717369523 /nfs/dbraw/zinc/36/95/23/717369523.db2.gz JSYYZZXSDRQWAZ-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710180 717369524 /nfs/dbraw/zinc/36/95/24/717369524.db2.gz JSYYZZXSDRQWAZ-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028092643 718708209 /nfs/dbraw/zinc/70/82/09/718708209.db2.gz BBDVPKIDGLNFQL-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028092643 718708211 /nfs/dbraw/zinc/70/82/11/718708211.db2.gz BBDVPKIDGLNFQL-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO COc1ccccc1CNC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000170908662 718982175 /nfs/dbraw/zinc/98/21/75/718982175.db2.gz KLWHBBLIJYWWAD-UHFFFAOYSA-N 1 3 340.471 2.622 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628683 719251582 /nfs/dbraw/zinc/25/15/82/719251582.db2.gz TYYJOLZRVQMLLJ-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628683 719251583 /nfs/dbraw/zinc/25/15/83/719251583.db2.gz TYYJOLZRVQMLLJ-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628860 719251959 /nfs/dbraw/zinc/25/19/59/719251959.db2.gz XIGXUJGXPRSLLG-PXNSSMCTSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628860 719251960 /nfs/dbraw/zinc/25/19/60/719251960.db2.gz XIGXUJGXPRSLLG-PXNSSMCTSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275479 719774005 /nfs/dbraw/zinc/77/40/05/719774005.db2.gz IRSVFHDLRDTKHQ-RLLQIKCJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275479 719774008 /nfs/dbraw/zinc/77/40/08/719774008.db2.gz IRSVFHDLRDTKHQ-RLLQIKCJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281373 719796124 /nfs/dbraw/zinc/79/61/24/719796124.db2.gz UXDQLDJAUJYDDH-OYRHEFFESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281373 719796128 /nfs/dbraw/zinc/79/61/28/719796128.db2.gz UXDQLDJAUJYDDH-OYRHEFFESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001026425999 720553779 /nfs/dbraw/zinc/55/37/79/720553779.db2.gz IISMXTZDZFNGKP-YSIASYRMSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]12 ZINC001026425997 720553795 /nfs/dbraw/zinc/55/37/95/720553795.db2.gz IISMXTZDZFNGKP-MISYRCLQSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552814 720820268 /nfs/dbraw/zinc/82/02/68/720820268.db2.gz DNAWZIZCPCCONF-YSIASYRMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552814 720820272 /nfs/dbraw/zinc/82/02/72/720820272.db2.gz DNAWZIZCPCCONF-YSIASYRMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[NH+]1CCC(NC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000896208293 723198065 /nfs/dbraw/zinc/19/80/65/723198065.db2.gz BTHKOVOOMKXORY-LJQANCHMSA-N 1 3 345.487 2.501 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067477 728912809 /nfs/dbraw/zinc/91/28/09/728912809.db2.gz XGITUYJSZSCCCR-FUHWJXTLSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067477 728912813 /nfs/dbraw/zinc/91/28/13/728912813.db2.gz XGITUYJSZSCCCR-FUHWJXTLSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067690 728938944 /nfs/dbraw/zinc/93/89/44/728938944.db2.gz YWHMETGZULPFLV-SJLPKXTDSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067690 728938946 /nfs/dbraw/zinc/93/89/46/728938946.db2.gz YWHMETGZULPFLV-SJLPKXTDSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009499 725460067 /nfs/dbraw/zinc/46/00/67/725460067.db2.gz HPOYLDDJLOIEPD-SVFBPWRDSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009499 725460072 /nfs/dbraw/zinc/46/00/72/725460072.db2.gz HPOYLDDJLOIEPD-SVFBPWRDSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987551435 725748366 /nfs/dbraw/zinc/74/83/66/725748366.db2.gz OCOALCAAWQXQGP-RHSMWYFYSA-N 1 3 335.879 2.693 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057819 726207806 /nfs/dbraw/zinc/20/78/06/726207806.db2.gz ZGJUYXBXWHTDCH-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057819 726207810 /nfs/dbraw/zinc/20/78/10/726207810.db2.gz ZGJUYXBXWHTDCH-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992815744 726252921 /nfs/dbraw/zinc/25/29/21/726252921.db2.gz KRNLMYZCFHKDGM-OKZBNKHCSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994007543 727579102 /nfs/dbraw/zinc/57/91/02/727579102.db2.gz PMIJKUVITKADQR-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040849410 729093613 /nfs/dbraw/zinc/09/36/13/729093613.db2.gz QYRJBLPQKYQEJE-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(Cl)CN[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000939806959 729130059 /nfs/dbraw/zinc/13/00/59/729130059.db2.gz PWHFUZUAOVQTBH-GUYCJALGSA-N 1 3 335.879 2.551 20 30 EFEDHO N#CCCCC[C@@H](N)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580049131 1090754449 /nfs/dbraw/zinc/75/44/49/1090754449.db2.gz IJCYUURSAWMIMN-GOSISDBHSA-N 1 3 334.508 2.512 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449680 1092862655 /nfs/dbraw/zinc/86/26/55/1092862655.db2.gz PAVRAVLNSIVNLV-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449680 1092862657 /nfs/dbraw/zinc/86/26/57/1092862657.db2.gz PAVRAVLNSIVNLV-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454145 1093039378 /nfs/dbraw/zinc/03/93/78/1093039378.db2.gz MBULYVSYJFHCDO-FXAWDEMLSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454145 1093039384 /nfs/dbraw/zinc/03/93/84/1093039384.db2.gz MBULYVSYJFHCDO-FXAWDEMLSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461640 1093325342 /nfs/dbraw/zinc/32/53/42/1093325342.db2.gz NJDXSVVNHBADHH-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461640 1093325351 /nfs/dbraw/zinc/32/53/51/1093325351.db2.gz NJDXSVVNHBADHH-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1ccccc1 ZINC001211625364 1094450998 /nfs/dbraw/zinc/45/09/98/1094450998.db2.gz BRSAIJUKKJZILQ-RBUKOAKNSA-N 1 3 343.515 2.877 20 30 EFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530425 1094873915 /nfs/dbraw/zinc/87/39/15/1094873915.db2.gz UIRURYOJTBRJMI-PXNSSMCTSA-N 1 3 333.520 2.513 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981959070 1095790159 /nfs/dbraw/zinc/79/01/59/1095790159.db2.gz XVIUWFVPHUPDTJ-IBGZPJMESA-N 1 3 345.531 2.894 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000981959070 1095790163 /nfs/dbraw/zinc/79/01/63/1095790163.db2.gz XVIUWFVPHUPDTJ-IBGZPJMESA-N 1 3 345.531 2.894 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001269552322 1098238529 /nfs/dbraw/zinc/23/85/29/1098238529.db2.gz BWTBSVQJAMXFKB-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001269552322 1098238532 /nfs/dbraw/zinc/23/85/32/1098238532.db2.gz BWTBSVQJAMXFKB-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001269552321 1098238551 /nfs/dbraw/zinc/23/85/51/1098238551.db2.gz BWTBSVQJAMXFKB-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001269552321 1098238553 /nfs/dbraw/zinc/23/85/53/1098238553.db2.gz BWTBSVQJAMXFKB-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001104803827 1098619654 /nfs/dbraw/zinc/61/96/54/1098619654.db2.gz ZBSPKVOHJLMXEB-RTBURBONSA-N 1 3 335.536 2.596 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001211675741 1099778094 /nfs/dbraw/zinc/77/80/94/1099778094.db2.gz YHIKHSHVMNXNEV-ZCNNSNEGSA-N 1 3 343.515 2.877 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680299 1099867322 /nfs/dbraw/zinc/86/73/22/1099867322.db2.gz PFNTUCFOIHUMJZ-RBUKOAKNSA-N 1 3 338.455 2.503 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105395591 1100554975 /nfs/dbraw/zinc/55/49/75/1100554975.db2.gz AQIDTHDUIDLPPD-FQEVSTJZSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105395591 1100554981 /nfs/dbraw/zinc/55/49/81/1100554981.db2.gz AQIDTHDUIDLPPD-FQEVSTJZSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105395688 1100558048 /nfs/dbraw/zinc/55/80/48/1100558048.db2.gz CZHVSLIDWLGMGX-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105395688 1100558052 /nfs/dbraw/zinc/55/80/52/1100558052.db2.gz CZHVSLIDWLGMGX-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723294 1100701339 /nfs/dbraw/zinc/70/13/39/1100701339.db2.gz KENZJKNTBZQPHZ-FCEWJHQRSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723294 1100701342 /nfs/dbraw/zinc/70/13/42/1100701342.db2.gz KENZJKNTBZQPHZ-FCEWJHQRSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723294 1100701346 /nfs/dbraw/zinc/70/13/46/1100701346.db2.gz KENZJKNTBZQPHZ-FCEWJHQRSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723294 1100701348 /nfs/dbraw/zinc/70/13/48/1100701348.db2.gz KENZJKNTBZQPHZ-FCEWJHQRSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001104311159 1101572717 /nfs/dbraw/zinc/57/27/17/1101572717.db2.gz VCLINRMYZITWQZ-DJIMGWMZSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311159 1101572723 /nfs/dbraw/zinc/57/27/23/1101572723.db2.gz VCLINRMYZITWQZ-DJIMGWMZSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129505 1101622762 /nfs/dbraw/zinc/62/27/62/1101622762.db2.gz QYZJUFKNZBMJQD-AABGKKOBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129505 1101622770 /nfs/dbraw/zinc/62/27/70/1101622770.db2.gz QYZJUFKNZBMJQD-AABGKKOBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210254 1101879344 /nfs/dbraw/zinc/87/93/44/1101879344.db2.gz DKGJYSVALKDIMB-UXHICEINSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210254 1101879359 /nfs/dbraw/zinc/87/93/59/1101879359.db2.gz DKGJYSVALKDIMB-UXHICEINSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430567 1103580136 /nfs/dbraw/zinc/58/01/36/1103580136.db2.gz SKYCWKWCHWNTAC-KRWDZBQOSA-N 1 3 341.927 2.976 20 30 EFEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001105536924 1105905860 /nfs/dbraw/zinc/90/58/60/1105905860.db2.gz KUFAEEUSUZBTRM-OALUTQOASA-N 1 3 345.531 2.633 20 30 EFEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563289 1105942703 /nfs/dbraw/zinc/94/27/03/1105942703.db2.gz IWYNHMZHMKPJLO-MSOLQXFVSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387210 1107719436 /nfs/dbraw/zinc/71/94/36/1107719436.db2.gz BHFVUGSSNHQGCW-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387210 1107719447 /nfs/dbraw/zinc/71/94/47/1107719447.db2.gz BHFVUGSSNHQGCW-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040392553 1108226430 /nfs/dbraw/zinc/22/64/30/1108226430.db2.gz UZCUWPIEVYHOSY-OAQYLSRUSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040392553 1108226437 /nfs/dbraw/zinc/22/64/37/1108226437.db2.gz UZCUWPIEVYHOSY-OAQYLSRUSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133121 1108519987 /nfs/dbraw/zinc/51/99/87/1108519987.db2.gz HPNDHAGAKDGGQU-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658846 1108623238 /nfs/dbraw/zinc/62/32/38/1108623238.db2.gz JXVQGXOIQVFJHE-FBBABVLZSA-N 1 3 345.531 2.940 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@@H]12 ZINC000990658846 1108623241 /nfs/dbraw/zinc/62/32/41/1108623241.db2.gz JXVQGXOIQVFJHE-FBBABVLZSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604059 1109943767 /nfs/dbraw/zinc/94/37/67/1109943767.db2.gz KBQYNDMWPOSLIH-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604059 1109943771 /nfs/dbraw/zinc/94/37/71/1109943771.db2.gz KBQYNDMWPOSLIH-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560239 1112308473 /nfs/dbraw/zinc/30/84/73/1112308473.db2.gz AIDHVTIVERBWIR-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560239 1112308479 /nfs/dbraw/zinc/30/84/79/1112308479.db2.gz AIDHVTIVERBWIR-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089561127 1112310487 /nfs/dbraw/zinc/31/04/87/1112310487.db2.gz MKXPIJTUORQEMM-IBGZPJMESA-N 1 3 341.499 2.602 20 30 EFEDHO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089561127 1112310491 /nfs/dbraw/zinc/31/04/91/1112310491.db2.gz MKXPIJTUORQEMM-IBGZPJMESA-N 1 3 341.499 2.602 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089642424 1112436306 /nfs/dbraw/zinc/43/63/06/1112436306.db2.gz LPHUFSQGQJGLFL-FGTMMUONSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642424 1112436310 /nfs/dbraw/zinc/43/63/10/1112436310.db2.gz LPHUFSQGQJGLFL-FGTMMUONSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H](c2ccccc2)N(C)CC)CC1 ZINC001483782897 1112457135 /nfs/dbraw/zinc/45/71/35/1112457135.db2.gz FGADERFGDLHIDZ-INIZCTEOSA-N 1 3 335.879 2.670 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001483782897 1112457140 /nfs/dbraw/zinc/45/71/40/1112457140.db2.gz FGADERFGDLHIDZ-INIZCTEOSA-N 1 3 335.879 2.670 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001483782897 1112457144 /nfs/dbraw/zinc/45/71/44/1112457144.db2.gz FGADERFGDLHIDZ-INIZCTEOSA-N 1 3 335.879 2.670 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656356 1112565306 /nfs/dbraw/zinc/56/53/06/1112565306.db2.gz HFQBZENONCJJDE-KRWDZBQOSA-N 1 3 333.520 2.655 20 30 EFEDHO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001089665141 1112619579 /nfs/dbraw/zinc/61/95/79/1112619579.db2.gz VHSZDDDEBXESPJ-KRWDZBQOSA-N 1 3 338.455 2.578 20 30 EFEDHO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001089665141 1112619581 /nfs/dbraw/zinc/61/95/81/1112619581.db2.gz VHSZDDDEBXESPJ-KRWDZBQOSA-N 1 3 338.455 2.578 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2OC)CCC1 ZINC000183834498 1118786052 /nfs/dbraw/zinc/78/60/52/1118786052.db2.gz HSGNLWUJDFNKJW-MRXNPFEDSA-N 1 3 344.503 2.506 20 30 EFEDHO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCN1CCCCC1 ZINC001272718463 1119172455 /nfs/dbraw/zinc/17/24/55/1119172455.db2.gz IJSCRGWOKSXTOU-HXUWFJFHSA-N 1 3 333.520 2.896 20 30 EFEDHO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCCN1CCCCC1 ZINC001272718463 1119172458 /nfs/dbraw/zinc/17/24/58/1119172458.db2.gz IJSCRGWOKSXTOU-HXUWFJFHSA-N 1 3 333.520 2.896 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)C[C@@H]2C)CC1 ZINC000945183876 1120663737 /nfs/dbraw/zinc/66/37/37/1120663737.db2.gz UGTMHDQEBQHKAD-FXAWDEMLSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)C[C@@H]2C)CC1 ZINC000945183876 1120663739 /nfs/dbraw/zinc/66/37/39/1120663739.db2.gz UGTMHDQEBQHKAD-FXAWDEMLSA-N 1 3 347.547 2.594 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180989337 234054255 /nfs/dbraw/zinc/05/42/55/234054255.db2.gz MXOLDHIMTFNBRM-OAQYLSRUSA-N 1 3 335.451 2.805 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180989337 234054258 /nfs/dbraw/zinc/05/42/58/234054258.db2.gz MXOLDHIMTFNBRM-OAQYLSRUSA-N 1 3 335.451 2.805 20 30 EFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859778 234356016 /nfs/dbraw/zinc/35/60/16/234356016.db2.gz VSURJESLWGEGBG-NHCUHLMSSA-N 1 3 340.515 2.985 20 30 EFEDHO C[NH+]=C(NC[C@@H]1C[C@@H]1C)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000262448771 240354035 /nfs/dbraw/zinc/35/40/35/240354035.db2.gz VQZNNIPGQMRYAW-QBYUYEEZSA-N 1 3 334.533 2.952 20 30 EFEDHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191430284 239104893 /nfs/dbraw/zinc/10/48/93/239104893.db2.gz BNKBVVUSYBLRBZ-CALCHBBNSA-N 1 3 344.503 2.608 20 30 EFEDHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000191430284 239104899 /nfs/dbraw/zinc/10/48/99/239104899.db2.gz BNKBVVUSYBLRBZ-CALCHBBNSA-N 1 3 344.503 2.608 20 30 EFEDHO C[C@@H]1C[NH+](CCC2CCN(Cc3cc(C#N)n(C)c3)CC2)C[C@@H](C)O1 ZINC000191430316 239106291 /nfs/dbraw/zinc/10/62/91/239106291.db2.gz BNKBVVUSYBLRBZ-IAGOWNOFSA-N 1 3 344.503 2.608 20 30 EFEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCC[C@H](C)C1 ZINC000262018513 240342335 /nfs/dbraw/zinc/34/23/35/240342335.db2.gz WWFQOFWDPDGHRU-GJZGRUSLSA-N 1 3 346.475 2.695 20 30 EFEDHO CN1CC=C(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000263183852 240380687 /nfs/dbraw/zinc/38/06/87/240380687.db2.gz WJASWHONZACTAF-UHFFFAOYSA-N 1 3 328.338 2.574 20 30 EFEDHO CC[C@H](C)NC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000264065005 240399540 /nfs/dbraw/zinc/39/95/40/240399540.db2.gz AVNWWOCFKYELER-HNNXBMFYSA-N 1 3 332.492 2.610 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000417059156 245000994 /nfs/dbraw/zinc/00/09/94/245000994.db2.gz HKXWSWCRADZBNQ-OKZBNKHCSA-N 1 3 336.524 2.502 20 30 EFEDHO N#C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000442708341 250104183 /nfs/dbraw/zinc/10/41/83/250104183.db2.gz FYQUBVVILRTBKB-RTWAWAEBSA-N 1 3 340.515 2.866 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000443063510 250156009 /nfs/dbraw/zinc/15/60/09/250156009.db2.gz WSNNATQTDAZIGE-HZPDHXFCSA-N 1 3 335.517 2.712 20 30 EFEDHO C=CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000449821221 251167555 /nfs/dbraw/zinc/16/75/55/251167555.db2.gz PDYPHFGYRAVTSX-UHFFFAOYSA-N 1 3 333.520 2.798 20 30 EFEDHO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(Cl)cc1F ZINC000262683029 533277952 /nfs/dbraw/zinc/27/79/52/533277952.db2.gz XCCPFVJYLXASRJ-BBRMVZONSA-N 1 3 336.842 2.542 20 30 EFEDHO C[C@@H]1CCCN(C(C)(C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262423351 287343152 /nfs/dbraw/zinc/34/31/52/287343152.db2.gz AXGZQSGROKPZMD-WBVHZDCISA-N 1 3 344.503 2.925 20 30 EFEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211306 266153924 /nfs/dbraw/zinc/15/39/24/266153924.db2.gz WAJFNMSCJLJKDU-MAUKXSAKSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211306 266153929 /nfs/dbraw/zinc/15/39/29/266153929.db2.gz WAJFNMSCJLJKDU-MAUKXSAKSA-N 1 3 328.460 2.691 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271894488 267180211 /nfs/dbraw/zinc/18/02/11/267180211.db2.gz SZTQQLUTAWQWNE-BEVDRBHNSA-N 1 3 327.472 2.977 20 30 EFEDHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1C#N ZINC000332538882 267326596 /nfs/dbraw/zinc/32/65/96/267326596.db2.gz ZMOBBNYWSRVIKJ-PMACEKPBSA-N 1 3 327.472 2.724 20 30 EFEDHO C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCC[C@@H](C)C1 ZINC000262492947 274205208 /nfs/dbraw/zinc/20/52/08/274205208.db2.gz JOMCELUAHARSOO-VYDXJSESSA-N 1 3 330.476 2.535 20 30 EFEDHO C[C@@H]1CN(CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CCCO1 ZINC000277196447 274347351 /nfs/dbraw/zinc/34/73/51/274347351.db2.gz DJIHTROSDLRIPB-MRXNPFEDSA-N 1 3 344.503 2.793 20 30 EFEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000139059907 473226839 /nfs/dbraw/zinc/22/68/39/473226839.db2.gz ZKIDSFLHQSYQKZ-UHFFFAOYSA-N 1 3 348.535 2.687 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000176951825 473274854 /nfs/dbraw/zinc/27/48/54/473274854.db2.gz SNISLBZYYQJDBS-UHFFFAOYSA-N 1 3 340.496 2.657 20 30 EFEDHO N#Cc1ccc(CN2CCCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000124796272 473305554 /nfs/dbraw/zinc/30/55/54/473305554.db2.gz JAFLNKCKEBCOTM-UHFFFAOYSA-N 1 3 340.515 2.942 20 30 EFEDHO C[NH+]=C(NCc1ccco1)NCC1CCN(Cc2cccs2)CC1 ZINC000103338150 472627785 /nfs/dbraw/zinc/62/77/85/472627785.db2.gz DLCZPDOPUPSRGM-UHFFFAOYSA-N 1 3 346.500 2.918 20 30 EFEDHO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000090970966 472669805 /nfs/dbraw/zinc/66/98/05/472669805.db2.gz RTZQHOAOWDMVSZ-QGLXBCBXSA-N 1 3 340.471 2.860 20 30 EFEDHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000072725182 472708839 /nfs/dbraw/zinc/70/88/39/472708839.db2.gz NQCAHWCXUXMNSL-KRWDZBQOSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000072725182 472708843 /nfs/dbraw/zinc/70/88/43/472708843.db2.gz NQCAHWCXUXMNSL-KRWDZBQOSA-N 1 3 328.460 2.693 20 30 EFEDHO C#CCOc1ccccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253124 472732643 /nfs/dbraw/zinc/73/26/43/472732643.db2.gz KARVMBVDODEKTN-ROUUACIJSA-N 1 3 330.472 2.678 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000106341281 472841941 /nfs/dbraw/zinc/84/19/41/472841941.db2.gz UXLOFAMWUMPUKH-UHFFFAOYSA-N 1 3 336.524 2.639 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000073640449 472844337 /nfs/dbraw/zinc/84/43/37/472844337.db2.gz JJPYTDYKAHWSFE-LJQANCHMSA-N 1 3 335.536 2.922 20 30 EFEDHO C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000050031530 472975759 /nfs/dbraw/zinc/97/57/59/472975759.db2.gz PNGOLWMALNBEFW-GOSISDBHSA-N 1 3 347.528 2.592 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000159249277 473012033 /nfs/dbraw/zinc/01/20/33/473012033.db2.gz XUYYGXFXWOMZHK-LJQANCHMSA-N 1 3 348.535 2.687 20 30 EFEDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109786197 473123745 /nfs/dbraw/zinc/12/37/45/473123745.db2.gz JPSUHADCZQPYMG-UHFFFAOYSA-N 1 3 328.460 2.693 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000066704201 473141308 /nfs/dbraw/zinc/14/13/08/473141308.db2.gz JEFYCGFQJQGBHV-SFHVURJKSA-N 1 3 336.524 2.591 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066704201 473141315 /nfs/dbraw/zinc/14/13/15/473141315.db2.gz JEFYCGFQJQGBHV-SFHVURJKSA-N 1 3 336.524 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185383952 473412471 /nfs/dbraw/zinc/41/24/71/473412471.db2.gz MLAAMKXUDCCPSI-KRWDZBQOSA-N 1 3 336.524 2.591 20 30 EFEDHO CN1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000178583593 473534405 /nfs/dbraw/zinc/53/44/05/473534405.db2.gz KYTCRJVSDXHVKG-XJKSGUPXSA-N 1 3 329.473 2.953 20 30 EFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180280523 473845868 /nfs/dbraw/zinc/84/58/68/473845868.db2.gz AYJIUBMWQKMDNR-OALUTQOASA-N 1 3 337.471 2.921 20 30 EFEDHO C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC1 ZINC000269673805 473856491 /nfs/dbraw/zinc/85/64/91/473856491.db2.gz GVOPXSWWAPBCSD-LJQANCHMSA-N 1 3 329.488 2.812 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000264086207 473949001 /nfs/dbraw/zinc/94/90/01/473949001.db2.gz JIGREJNCGAPOCJ-IPMKNSEASA-N 1 3 344.503 2.543 20 30 EFEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264117830 473952458 /nfs/dbraw/zinc/95/24/58/473952458.db2.gz TYHYYEWNNJYVJN-KRWDZBQOSA-N 1 3 345.535 2.810 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264148342 473953149 /nfs/dbraw/zinc/95/31/49/473953149.db2.gz YNSLMPMZAYFRMJ-GFCCVEGCSA-N 1 3 330.354 2.796 20 30 EFEDHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccccc1C(C)(C)C#N ZINC000180959094 473993601 /nfs/dbraw/zinc/99/36/01/473993601.db2.gz TYXOYIOIVKMXTB-UHFFFAOYSA-N 1 3 342.531 2.946 20 30 EFEDHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccccc1C(C)(C)C#N ZINC000180959094 473993608 /nfs/dbraw/zinc/99/36/08/473993608.db2.gz TYXOYIOIVKMXTB-UHFFFAOYSA-N 1 3 342.531 2.946 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443119 474325297 /nfs/dbraw/zinc/32/52/97/474325297.db2.gz LGUMQFAESXWNHG-HRAATJIYSA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443119 474325304 /nfs/dbraw/zinc/32/53/04/474325304.db2.gz LGUMQFAESXWNHG-HRAATJIYSA-N 1 3 335.451 2.976 20 30 EFEDHO N#C[C@@H]1CCC[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000248758537 474427590 /nfs/dbraw/zinc/42/75/90/474427590.db2.gz DAAGJEBNWNBPPJ-UXPWSPDFSA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@@H]1CCC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000248758537 474427596 /nfs/dbraw/zinc/42/75/96/474427596.db2.gz DAAGJEBNWNBPPJ-UXPWSPDFSA-N 1 3 327.472 2.815 20 30 EFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905824 474480151 /nfs/dbraw/zinc/48/01/51/474480151.db2.gz WNNHFEOYNJHMNA-KXBFYZLASA-N 1 3 333.451 2.924 20 30 EFEDHO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC1 ZINC000271552609 474582212 /nfs/dbraw/zinc/58/22/12/474582212.db2.gz WCAGVXAEVJDBPH-LJQANCHMSA-N 1 3 329.488 2.812 20 30 EFEDHO CCNC(NCCCOC1CCN(Cc2ccccc2)CC1)=[NH+]CC ZINC000267278660 474635775 /nfs/dbraw/zinc/63/57/75/474635775.db2.gz GNHOFRWHGBORLW-UHFFFAOYSA-N 1 3 346.519 2.633 20 30 EFEDHO C=CCN1CC[C@H](N2CCC(CC[N@@H+](CC)CC3CC3)CC2)C1=O ZINC000337156219 474744797 /nfs/dbraw/zinc/74/47/97/474744797.db2.gz ADHTWYNXZMUGPL-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCN1CC[C@H](N2CCC(CC[N@H+](CC)CC3CC3)CC2)C1=O ZINC000337156219 474744808 /nfs/dbraw/zinc/74/48/08/474744808.db2.gz ADHTWYNXZMUGPL-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C#CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268962787 475096989 /nfs/dbraw/zinc/09/69/89/475096989.db2.gz JOEVWJDODWDZNX-RTWAWAEBSA-N 1 3 342.483 2.556 20 30 EFEDHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1COc2ccccc21 ZINC000329649053 475105225 /nfs/dbraw/zinc/10/52/25/475105225.db2.gz BSBPNNOCQYZVLO-KSSFIOAISA-N 1 3 343.471 2.724 20 30 EFEDHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330240709 475216314 /nfs/dbraw/zinc/21/63/14/475216314.db2.gz WBDUFPHXDWJXRE-CYGHRXIMSA-N 1 3 337.508 2.584 20 30 EFEDHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000342722363 475631444 /nfs/dbraw/zinc/63/14/44/475631444.db2.gz FJHRXCVVYGXBKO-NZSAHSFTSA-N 1 3 325.456 2.844 20 30 EFEDHO C=CCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000342738187 475634450 /nfs/dbraw/zinc/63/44/50/475634450.db2.gz TWUNMJDRSWSWCY-UHFFFAOYSA-N 1 3 329.488 2.584 20 30 EFEDHO C=C(C)CN(CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(CO)o1 ZINC000352865631 475659155 /nfs/dbraw/zinc/65/91/55/475659155.db2.gz DCKXGPLIMMAUPE-UHFFFAOYSA-N 1 3 349.519 2.566 20 30 EFEDHO C=CC[NH+]1CCC(NC(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000352873094 475660644 /nfs/dbraw/zinc/66/06/44/475660644.db2.gz HYWYBKWPEKOLOY-RDJZCZTQSA-N 1 3 348.491 2.658 20 30 EFEDHO C[NH+](C)Cc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000349428866 475967278 /nfs/dbraw/zinc/96/72/78/475967278.db2.gz PAYMJVLRJUKLKJ-HXUWFJFHSA-N 1 3 346.434 2.619 20 30 EFEDHO C=CC[NH+]1CCC(NCc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298458134 476100792 /nfs/dbraw/zinc/10/07/92/476100792.db2.gz OFJDIDJZROYLOI-QGZVFWFLSA-N 1 3 329.488 2.652 20 30 EFEDHO CN1CCCN(CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360839688 476420369 /nfs/dbraw/zinc/42/03/69/476420369.db2.gz IZEHPOFLJCUPTQ-OAQYLSRUSA-N 1 3 340.515 2.943 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@@H]3CN)C2)c(F)c1 ZINC000422972902 476872834 /nfs/dbraw/zinc/87/28/34/476872834.db2.gz AVUJIUMBPKSWDX-SOLBZPMBSA-N 1 3 330.451 2.773 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000422972902 476872841 /nfs/dbraw/zinc/87/28/41/476872841.db2.gz AVUJIUMBPKSWDX-SOLBZPMBSA-N 1 3 330.451 2.773 20 30 EFEDHO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCCN1 ZINC000422980544 476878478 /nfs/dbraw/zinc/87/84/78/476878478.db2.gz QFSDDDAHFFNKJX-YXJHDRRASA-N 1 3 330.451 2.786 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000423277205 476982161 /nfs/dbraw/zinc/98/21/61/476982161.db2.gz NXBMVOCICJSHOR-UYAOXDASSA-N 1 3 326.488 2.630 20 30 EFEDHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424126012 477299655 /nfs/dbraw/zinc/29/96/55/477299655.db2.gz BAQXXDHXANEBHS-CRAIPNDOSA-N 1 3 328.460 2.878 20 30 EFEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424126012 477299662 /nfs/dbraw/zinc/29/96/62/477299662.db2.gz BAQXXDHXANEBHS-CRAIPNDOSA-N 1 3 328.460 2.878 20 30 EFEDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424142474 477307106 /nfs/dbraw/zinc/30/71/06/477307106.db2.gz YHJQCOMXABQZTJ-LPHOPBHVSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424142474 477307111 /nfs/dbraw/zinc/30/71/11/477307111.db2.gz YHJQCOMXABQZTJ-LPHOPBHVSA-N 1 3 342.487 2.556 20 30 EFEDHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424152126 477310314 /nfs/dbraw/zinc/31/03/14/477310314.db2.gz IKGJNDLHQDQSLG-INIZCTEOSA-N 1 3 346.500 2.504 20 30 EFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150410 477310451 /nfs/dbraw/zinc/31/04/51/477310451.db2.gz YNOSXVSNKNYOPS-NEWSRXKRSA-N 1 3 342.487 2.519 20 30 EFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150410 477310454 /nfs/dbraw/zinc/31/04/54/477310454.db2.gz YNOSXVSNKNYOPS-NEWSRXKRSA-N 1 3 342.487 2.519 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000424163078 477312860 /nfs/dbraw/zinc/31/28/60/477312860.db2.gz XIAXCMUTDZJSBX-GOSISDBHSA-N 1 3 328.460 2.675 20 30 EFEDHO CO[C@]1(C)CCCN(CC#CC[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000367460366 477523153 /nfs/dbraw/zinc/52/31/53/477523153.db2.gz ZXLPWAZMOXTLDT-WOJBJXKFSA-N 1 3 336.520 2.772 20 30 EFEDHO CO[C@]1(C)CCCN(CC#CC[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000367460366 477523161 /nfs/dbraw/zinc/52/31/61/477523161.db2.gz ZXLPWAZMOXTLDT-WOJBJXKFSA-N 1 3 336.520 2.772 20 30 EFEDHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C#N)cs3)CC2)CC1 ZINC000421380798 478063555 /nfs/dbraw/zinc/06/35/55/478063555.db2.gz WDMHTLKMETYLLX-UHFFFAOYSA-N 1 3 332.517 2.612 20 30 EFEDHO CCN1CCC([N@H+]2CCCN(Cc3cc(C#N)cs3)CC2)CC1 ZINC000421380798 478063561 /nfs/dbraw/zinc/06/35/61/478063561.db2.gz WDMHTLKMETYLLX-UHFFFAOYSA-N 1 3 332.517 2.612 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594453947 478397098 /nfs/dbraw/zinc/39/70/98/478397098.db2.gz PNSYGPKVESZYOF-PKOBYXMFSA-N 1 3 348.535 2.901 20 30 EFEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594453947 478397102 /nfs/dbraw/zinc/39/71/02/478397102.db2.gz PNSYGPKVESZYOF-PKOBYXMFSA-N 1 3 348.535 2.901 20 30 EFEDHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859527 478545686 /nfs/dbraw/zinc/54/56/86/478545686.db2.gz FBPNLSMSAFRTNY-MSOLQXFVSA-N 1 3 327.472 2.996 20 30 EFEDHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859527 478545689 /nfs/dbraw/zinc/54/56/89/478545689.db2.gz FBPNLSMSAFRTNY-MSOLQXFVSA-N 1 3 327.472 2.996 20 30 EFEDHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572050 478583238 /nfs/dbraw/zinc/58/32/38/478583238.db2.gz IRCDMDBSHUXWIA-AUTIYMEDSA-N 1 3 343.471 2.590 20 30 EFEDHO C#CCN1CCC(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000491628839 478606052 /nfs/dbraw/zinc/60/60/52/478606052.db2.gz LGMLZDMKMCDXCK-UHFFFAOYSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCNC(=O)CC[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000491657957 478619250 /nfs/dbraw/zinc/61/92/50/478619250.db2.gz AGDDQNVZOHRWNF-UHFFFAOYSA-N 1 3 349.478 2.644 20 30 EFEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595905 478917854 /nfs/dbraw/zinc/91/78/54/478917854.db2.gz PFWWEYDPKDYUKD-RBUKOAKNSA-N 1 3 329.488 2.741 20 30 EFEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595905 478917860 /nfs/dbraw/zinc/91/78/60/478917860.db2.gz PFWWEYDPKDYUKD-RBUKOAKNSA-N 1 3 329.488 2.741 20 30 EFEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595906 478918805 /nfs/dbraw/zinc/91/88/05/478918805.db2.gz PFWWEYDPKDYUKD-RTBURBONSA-N 1 3 329.488 2.741 20 30 EFEDHO CN(C[C@H](O)CC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595906 478918809 /nfs/dbraw/zinc/91/88/09/478918809.db2.gz PFWWEYDPKDYUKD-RTBURBONSA-N 1 3 329.488 2.741 20 30 EFEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000598599262 478920117 /nfs/dbraw/zinc/92/01/17/478920117.db2.gz IOJRLMDLCTXXCB-IBGZPJMESA-N 1 3 344.503 2.921 20 30 EFEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000598599262 478920122 /nfs/dbraw/zinc/92/01/22/478920122.db2.gz IOJRLMDLCTXXCB-IBGZPJMESA-N 1 3 344.503 2.921 20 30 EFEDHO COc1ccc(C[NH+]2CCC(CNC[C@@H](C#N)CCC#N)CC2)cc1 ZINC000567457874 479107009 /nfs/dbraw/zinc/10/70/09/479107009.db2.gz CDZUGDIFYMUQDR-LJQANCHMSA-N 1 3 340.471 2.940 20 30 EFEDHO COc1ccc(C[NH+]2CCC(CNC[C@H](C#N)CCC#N)CC2)cc1 ZINC000567457873 479107316 /nfs/dbraw/zinc/10/73/16/479107316.db2.gz CDZUGDIFYMUQDR-IBGZPJMESA-N 1 3 340.471 2.940 20 30 EFEDHO CN1CCCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000598994839 479119395 /nfs/dbraw/zinc/11/93/95/479119395.db2.gz UDFAERSAJNYQJG-SFHVURJKSA-N 1 3 326.488 2.849 20 30 EFEDHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000602019095 479141933 /nfs/dbraw/zinc/14/19/33/479141933.db2.gz APCSEYIHLLNTBH-ZDUSSCGKSA-N 1 3 325.391 2.675 20 30 EFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000602022054 479143272 /nfs/dbraw/zinc/14/32/72/479143272.db2.gz SRRKLCXOEPKOCI-IBGZPJMESA-N 1 3 333.439 2.852 20 30 EFEDHO C[C@@H](C[C@H]1CCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322626 479295243 /nfs/dbraw/zinc/29/52/43/479295243.db2.gz OGRMXBDVQJRVPD-OXJNMPFZSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCCCN1 ZINC000593323104 479295257 /nfs/dbraw/zinc/29/52/57/479295257.db2.gz PRXFFHWWGDOVOE-OXJNMPFZSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000593323104 479295260 /nfs/dbraw/zinc/29/52/60/479295260.db2.gz PRXFFHWWGDOVOE-OXJNMPFZSA-N 1 3 326.488 2.643 20 30 EFEDHO COc1ccc([C@H](CCC#N)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000574515450 479302390 /nfs/dbraw/zinc/30/23/90/479302390.db2.gz CLGJMEXPPRJHCH-FQEVSTJZSA-N 1 3 344.503 2.657 20 30 EFEDHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392813 479367467 /nfs/dbraw/zinc/36/74/67/479367467.db2.gz NFTTYTKKCXCSOP-WIYYLYMNSA-N 1 3 338.499 2.694 20 30 EFEDHO C[C@@H](CCC#N)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665645 479459910 /nfs/dbraw/zinc/45/99/10/479459910.db2.gz WNTAIQUQIIKZQJ-PZJWPPBQSA-N 1 3 340.515 2.818 20 30 EFEDHO C[C@@H](CCC#N)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665645 479459919 /nfs/dbraw/zinc/45/99/19/479459919.db2.gz WNTAIQUQIIKZQJ-PZJWPPBQSA-N 1 3 340.515 2.818 20 30 EFEDHO C[C@H](CCC#N)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602665639 479461174 /nfs/dbraw/zinc/46/11/74/479461174.db2.gz WNTAIQUQIIKZQJ-CTNGQTDRSA-N 1 3 340.515 2.818 20 30 EFEDHO C[C@H](CCC#N)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602665639 479461178 /nfs/dbraw/zinc/46/11/78/479461178.db2.gz WNTAIQUQIIKZQJ-CTNGQTDRSA-N 1 3 340.515 2.818 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000578979459 479641976 /nfs/dbraw/zinc/64/19/76/479641976.db2.gz GRIKLGSNCBWCNL-FQEVSTJZSA-N 1 3 346.515 2.865 20 30 EFEDHO Cc1cc(C#N)ccc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000614406223 480298035 /nfs/dbraw/zinc/29/80/35/480298035.db2.gz YCQQXEQHKIZJBJ-UHFFFAOYSA-N 1 3 340.515 2.716 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000644532012 480422049 /nfs/dbraw/zinc/42/20/49/480422049.db2.gz QQYJHAPOZKBXSZ-ICSRJNTNSA-N 1 3 346.515 2.865 20 30 EFEDHO C[C@H]1CN(CCC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000177506964 533925001 /nfs/dbraw/zinc/92/50/01/533925001.db2.gz ATXVJGQDJSLFDL-IRXDYDNUSA-N 1 3 339.549 2.845 20 30 EFEDHO C#CCOc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CC)CC2)cc1 ZINC000154476621 527114779 /nfs/dbraw/zinc/11/47/79/527114779.db2.gz STPWYIRFUQYRGH-LJQANCHMSA-N 1 3 343.515 2.767 20 30 EFEDHO C=C(CN(C)C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000764474156 576462182 /nfs/dbraw/zinc/46/21/82/576462182.db2.gz XBICYXGQPFZDNE-UHFFFAOYSA-N 1 3 329.488 2.653 20 30 EFEDHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001167836619 1249690719 /nfs/dbraw/zinc/69/07/19/1249690719.db2.gz GBXYBFPYDVTLEB-QGZVFWFLSA-N 1 3 329.492 2.586 20 30 EFEDHO C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098819622 1255723571 /nfs/dbraw/zinc/72/35/71/1255723571.db2.gz BSZOHPWOEUJPPW-QUCCMNQESA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485110 1255952781 /nfs/dbraw/zinc/95/27/81/1255952781.db2.gz KDEGPTRIBQAOFE-SVFBPWRDSA-N 1 3 345.531 2.798 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485110 1255952786 /nfs/dbraw/zinc/95/27/86/1255952786.db2.gz KDEGPTRIBQAOFE-SVFBPWRDSA-N 1 3 345.531 2.798 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581690 1256198362 /nfs/dbraw/zinc/19/83/62/1256198362.db2.gz IUKKILYENLHBRX-TZIWHRDSSA-N 1 3 347.547 2.883 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CCCCCC)CCC[C@@H]12 ZINC001107581690 1256198367 /nfs/dbraw/zinc/19/83/67/1256198367.db2.gz IUKKILYENLHBRX-TZIWHRDSSA-N 1 3 347.547 2.883 20 30 EFEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC000997387893 1257562365 /nfs/dbraw/zinc/56/23/65/1257562365.db2.gz QWKJZHCKTIDRFS-UYAOXDASSA-N 1 3 347.547 2.881 20 30 EFEDHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001168595187 1258364605 /nfs/dbraw/zinc/36/46/05/1258364605.db2.gz GMHKIOKSBQSYHO-UHFFFAOYSA-N 1 3 343.515 2.646 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001085295695 1267066159 /nfs/dbraw/zinc/06/61/59/1267066159.db2.gz UNOVSFZZKTYURV-HUUCEWRRSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(C)CC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004204693 1266217935 /nfs/dbraw/zinc/21/79/35/1266217935.db2.gz UAUORRMCGCXWCJ-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020326 1258971622 /nfs/dbraw/zinc/97/16/22/1258971622.db2.gz CIWXFKILEWTSLI-VQTJNVASSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020326 1258971630 /nfs/dbraw/zinc/97/16/30/1258971630.db2.gz CIWXFKILEWTSLI-VQTJNVASSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102195 1259113200 /nfs/dbraw/zinc/11/32/00/1259113200.db2.gz LHSDOIAUTDRSQJ-UXHICEINSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102195 1259113204 /nfs/dbraw/zinc/11/32/04/1259113204.db2.gz LHSDOIAUTDRSQJ-UXHICEINSA-N 1 3 347.547 2.835 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000708530667 1259763092 /nfs/dbraw/zinc/76/30/92/1259763092.db2.gz UPBKKVIABGURSH-YHYVQYDKSA-N 1 3 349.478 2.949 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000708530667 1259763099 /nfs/dbraw/zinc/76/30/99/1259763099.db2.gz UPBKKVIABGURSH-YHYVQYDKSA-N 1 3 349.478 2.949 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000999412532 1260607374 /nfs/dbraw/zinc/60/73/74/1260607374.db2.gz SPXZFGFNZXOWLD-UHFFFAOYSA-N 1 3 349.906 2.736 20 30 EFEDHO C=CCN(Cc1ccc(OC)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722260 1261207685 /nfs/dbraw/zinc/20/76/85/1261207685.db2.gz JQZJHRSYKMWSER-LJQANCHMSA-N 1 3 330.472 2.842 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626166 1262074050 /nfs/dbraw/zinc/07/40/50/1262074050.db2.gz LWQJOTHUDMVBLS-DLBZAZTESA-N 1 3 333.520 2.844 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486220496 1262823733 /nfs/dbraw/zinc/82/37/33/1262823733.db2.gz LWDPURCLHBMXLM-CRAIPNDOSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701888 1264245729 /nfs/dbraw/zinc/24/57/29/1264245729.db2.gz WTDDQTDFNKAQGF-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701888 1264245737 /nfs/dbraw/zinc/24/57/37/1264245737.db2.gz WTDDQTDFNKAQGF-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941236 1264716266 /nfs/dbraw/zinc/71/62/66/1264716266.db2.gz WMFFREVVGYZGCG-HBFSDRIKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941236 1264716271 /nfs/dbraw/zinc/71/62/71/1264716271.db2.gz WMFFREVVGYZGCG-HBFSDRIKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049458 1265026719 /nfs/dbraw/zinc/02/67/19/1265026719.db2.gz BKRCIMKQPXVFBU-OTWHNJEPSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049458 1265026726 /nfs/dbraw/zinc/02/67/26/1265026726.db2.gz BKRCIMKQPXVFBU-OTWHNJEPSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049459 1265027119 /nfs/dbraw/zinc/02/71/19/1265027119.db2.gz BKRCIMKQPXVFBU-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049459 1265027125 /nfs/dbraw/zinc/02/71/25/1265027125.db2.gz BKRCIMKQPXVFBU-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072497 1265077297 /nfs/dbraw/zinc/07/72/97/1265077297.db2.gz CSNXNVQOFYYYBJ-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072497 1265077304 /nfs/dbraw/zinc/07/73/04/1265077304.db2.gz CSNXNVQOFYYYBJ-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]21 ZINC001085072498 1265077370 /nfs/dbraw/zinc/07/73/70/1265077370.db2.gz CSNXNVQOFYYYBJ-QYZOEREBSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072498 1265077375 /nfs/dbraw/zinc/07/73/75/1265077375.db2.gz CSNXNVQOFYYYBJ-QYZOEREBSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004459432 1267097795 /nfs/dbraw/zinc/09/77/95/1267097795.db2.gz QQQHVWQDCTYVJZ-LJQANCHMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004459432 1267097807 /nfs/dbraw/zinc/09/78/07/1267097807.db2.gz QQQHVWQDCTYVJZ-LJQANCHMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004465280 1267105790 /nfs/dbraw/zinc/10/57/90/1267105790.db2.gz RJWLVSHZTZMRKF-OALUTQOASA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004465280 1267105793 /nfs/dbraw/zinc/10/57/93/1267105793.db2.gz RJWLVSHZTZMRKF-OALUTQOASA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004475946 1267128141 /nfs/dbraw/zinc/12/81/41/1267128141.db2.gz VTSVBUGDBOVGCR-RTBURBONSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004475946 1267128144 /nfs/dbraw/zinc/12/81/44/1267128144.db2.gz VTSVBUGDBOVGCR-RTBURBONSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004540101 1267283503 /nfs/dbraw/zinc/28/35/03/1267283503.db2.gz BIWVFOKBEFBWKA-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004540101 1267283511 /nfs/dbraw/zinc/28/35/11/1267283511.db2.gz BIWVFOKBEFBWKA-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004618526 1267413197 /nfs/dbraw/zinc/41/31/97/1267413197.db2.gz FRSTVPVHXMFRND-VQTJNVASSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004618526 1267413200 /nfs/dbraw/zinc/41/32/00/1267413200.db2.gz FRSTVPVHXMFRND-VQTJNVASSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004619889 1267413907 /nfs/dbraw/zinc/41/39/07/1267413907.db2.gz NGSGTGRUVWQKOC-PMACEKPBSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004619889 1267413910 /nfs/dbraw/zinc/41/39/10/1267413910.db2.gz NGSGTGRUVWQKOC-PMACEKPBSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781749 1268503008 /nfs/dbraw/zinc/50/30/08/1268503008.db2.gz DMZLFFZHHBKTQJ-OALUTQOASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781749 1268503013 /nfs/dbraw/zinc/50/30/13/1268503013.db2.gz DMZLFFZHHBKTQJ-OALUTQOASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820411 1268655077 /nfs/dbraw/zinc/65/50/77/1268655077.db2.gz ZHCYVHMHPSLTRK-HXUWFJFHSA-N 1 3 343.515 2.903 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986434 1269398055 /nfs/dbraw/zinc/39/80/55/1269398055.db2.gz DMUBMOBRFKJHFZ-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986434 1269398068 /nfs/dbraw/zinc/39/80/68/1269398068.db2.gz DMUBMOBRFKJHFZ-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034366642 1271787580 /nfs/dbraw/zinc/78/75/80/1271787580.db2.gz BZKVCJGBRKOVEN-ICSRJNTNSA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034366642 1271787584 /nfs/dbraw/zinc/78/75/84/1271787584.db2.gz BZKVCJGBRKOVEN-ICSRJNTNSA-N 1 3 345.531 2.778 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398664 1271894450 /nfs/dbraw/zinc/89/44/50/1271894450.db2.gz PDMMCMSZCZNVNQ-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398664 1271894459 /nfs/dbraw/zinc/89/44/59/1271894459.db2.gz PDMMCMSZCZNVNQ-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)N(C)C ZINC001411216468 1272030481 /nfs/dbraw/zinc/03/04/81/1272030481.db2.gz LMQYGLUKOWNGOU-ROUUACIJSA-N 1 3 344.503 2.519 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001034796562 1272990283 /nfs/dbraw/zinc/99/02/83/1272990283.db2.gz IYXZGTGMLXOLSS-KLHDSHLOSA-N 1 3 327.900 2.629 20 30 EFEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035227418 1273848625 /nfs/dbraw/zinc/84/86/25/1273848625.db2.gz RHNRSJQBMXAWOA-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035227418 1273848631 /nfs/dbraw/zinc/84/86/31/1273848631.db2.gz RHNRSJQBMXAWOA-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560503 1274418726 /nfs/dbraw/zinc/41/87/26/1274418726.db2.gz DIYAYWBXQVVSIK-SQNIBIBYSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814986 1274549325 /nfs/dbraw/zinc/54/93/25/1274549325.db2.gz XCAVTEXRQGYIOY-QZTJIDSGSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814986 1274549331 /nfs/dbraw/zinc/54/93/31/1274549331.db2.gz XCAVTEXRQGYIOY-QZTJIDSGSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035835167 1274571713 /nfs/dbraw/zinc/57/17/13/1274571713.db2.gz NFBHWOIRLFCAQX-UHFFFAOYSA-N 1 3 345.531 2.609 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836112 1274573258 /nfs/dbraw/zinc/57/32/58/1274573258.db2.gz GHXUOJUQTYEMEH-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035856456 1274603888 /nfs/dbraw/zinc/60/38/88/1274603888.db2.gz ONUSCFRVSCIFET-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035858561 1274609033 /nfs/dbraw/zinc/60/90/33/1274609033.db2.gz VSNPCYNPZSEWLK-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109969712 1274907898 /nfs/dbraw/zinc/90/78/98/1274907898.db2.gz WSVMSHZZZGFHGK-QYZOEREBSA-N 1 3 333.520 2.633 20 30 EFEDHO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000819016478 1276590427 /nfs/dbraw/zinc/59/04/27/1276590427.db2.gz ZQZOHYQIBHGWND-IRLDBZIGSA-N 1 3 349.478 2.746 20 30 EFEDHO CC[NH+]=C(NCC1CCSCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000086899634 1276859998 /nfs/dbraw/zinc/85/99/98/1276859998.db2.gz WRCPBJWQCJDESQ-KRWDZBQOSA-N 1 3 338.565 2.655 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175273847 1287369363 /nfs/dbraw/zinc/36/93/63/1287369363.db2.gz XTJPPAXJEIPJOK-HNNXBMFYSA-N 1 3 331.932 2.981 20 30 EFEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001171197867 1279826697 /nfs/dbraw/zinc/82/66/97/1279826697.db2.gz DYUIYJGQXJDOKV-NSISKUIASA-N 1 3 327.472 2.722 20 30 EFEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001171197868 1279827215 /nfs/dbraw/zinc/82/72/15/1279827215.db2.gz DYUIYJGQXJDOKV-VDGAXYAQSA-N 1 3 327.472 2.722 20 30 EFEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262668 1287383962 /nfs/dbraw/zinc/38/39/62/1287383962.db2.gz JMWAUZLXGFWQCF-MAUKXSAKSA-N 1 3 327.488 2.650 20 30 EFEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001148833830 1281760413 /nfs/dbraw/zinc/76/04/13/1281760413.db2.gz NAJFPHCNDKOVNN-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001148833830 1281760419 /nfs/dbraw/zinc/76/04/19/1281760419.db2.gz NAJFPHCNDKOVNN-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086882318 1281870978 /nfs/dbraw/zinc/87/09/78/1281870978.db2.gz LNZSYYLFYWZRSK-FUHWJXTLSA-N 1 3 329.488 2.812 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945521 1281979223 /nfs/dbraw/zinc/97/92/23/1281979223.db2.gz CWGAQRHMCJIQMQ-INIZCTEOSA-N 1 3 330.476 2.621 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H](NC1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000810217438 1283046049 /nfs/dbraw/zinc/04/60/49/1283046049.db2.gz DJPTWJUPVZUFCA-UYAOXDASSA-N 1 3 325.456 2.779 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093121168 1283263676 /nfs/dbraw/zinc/26/36/76/1283263676.db2.gz YPUVNFIHZYNHIY-QRVBRYPASA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001093121168 1283263682 /nfs/dbraw/zinc/26/36/82/1283263682.db2.gz YPUVNFIHZYNHIY-QRVBRYPASA-N 1 3 335.536 2.901 20 30 EFEDHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001176022994 1287659673 /nfs/dbraw/zinc/65/96/73/1287659673.db2.gz FEEGELCVLICBMI-QGZVFWFLSA-N 1 3 344.503 2.665 20 30 EFEDHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001176022994 1287659678 /nfs/dbraw/zinc/65/96/78/1287659678.db2.gz FEEGELCVLICBMI-QGZVFWFLSA-N 1 3 344.503 2.665 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093376559 1283827440 /nfs/dbraw/zinc/82/74/40/1283827440.db2.gz ADFGISJSJUWFPG-XLIONFOSSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093376559 1283827451 /nfs/dbraw/zinc/82/74/51/1283827451.db2.gz ADFGISJSJUWFPG-XLIONFOSSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379491 1283839872 /nfs/dbraw/zinc/83/98/72/1283839872.db2.gz AMFANZCPEAUADU-RBUKOAKNSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379491 1283839882 /nfs/dbraw/zinc/83/98/82/1283839882.db2.gz AMFANZCPEAUADU-RBUKOAKNSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382606 1283851770 /nfs/dbraw/zinc/85/17/70/1283851770.db2.gz BHQCNHPJXMGNCS-HXUWFJFHSA-N 1 3 345.531 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382606 1283851780 /nfs/dbraw/zinc/85/17/80/1283851780.db2.gz BHQCNHPJXMGNCS-HXUWFJFHSA-N 1 3 345.531 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820871 1284061342 /nfs/dbraw/zinc/06/13/42/1284061342.db2.gz QDJDZZHRORZVBT-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820871 1284061352 /nfs/dbraw/zinc/06/13/52/1284061352.db2.gz QDJDZZHRORZVBT-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036854186 1284329424 /nfs/dbraw/zinc/32/94/24/1284329424.db2.gz HNQUTXORERSIAI-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036854186 1284329432 /nfs/dbraw/zinc/32/94/32/1284329432.db2.gz HNQUTXORERSIAI-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132823663 1284333937 /nfs/dbraw/zinc/33/39/37/1284333937.db2.gz KBSDKZONBXTBBL-ROUUACIJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120781 1284830361 /nfs/dbraw/zinc/83/03/61/1284830361.db2.gz AYPMBROLSGIARV-QZTJIDSGSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121979 1284831886 /nfs/dbraw/zinc/83/18/86/1284831886.db2.gz NCNQZMJGAYCEED-ZWKOTPCHSA-N 1 3 335.536 2.759 20 30 EFEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133185466 1284950395 /nfs/dbraw/zinc/95/03/95/1284950395.db2.gz DJOBOHXDTRFQAQ-RTBURBONSA-N 1 3 335.536 2.596 20 30 EFEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133185463 1284950512 /nfs/dbraw/zinc/95/05/12/1284950512.db2.gz DJOBOHXDTRFQAQ-MOPGFXCFSA-N 1 3 335.536 2.596 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C)CCC[C@@H]12 ZINC001094450654 1285119178 /nfs/dbraw/zinc/11/91/78/1285119178.db2.gz YATISBBFMSYBIU-JFIYKMOQSA-N 1 3 339.911 2.584 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C)CCC[C@@H]12 ZINC001094450654 1285119186 /nfs/dbraw/zinc/11/91/86/1285119186.db2.gz YATISBBFMSYBIU-JFIYKMOQSA-N 1 3 339.911 2.584 20 30 EFEDHO C=CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133341620 1285221258 /nfs/dbraw/zinc/22/12/58/1285221258.db2.gz JIBMSRYRGOZCJB-WMZOPIPTSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094581794 1285351261 /nfs/dbraw/zinc/35/12/61/1285351261.db2.gz FSYKHVSDPUCUTR-TZIWHRDSSA-N 1 3 341.499 2.909 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094581794 1285351270 /nfs/dbraw/zinc/35/12/70/1285351270.db2.gz FSYKHVSDPUCUTR-TZIWHRDSSA-N 1 3 341.499 2.909 20 30 EFEDHO C=C(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001133405940 1285359967 /nfs/dbraw/zinc/35/99/67/1285359967.db2.gz XZKKLFJOOSBZCT-UHFFFAOYSA-N 1 3 346.862 2.800 20 30 EFEDHO CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(CC)CC ZINC001133407377 1285366194 /nfs/dbraw/zinc/36/61/94/1285366194.db2.gz FIFLCELOLNCPRI-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094556581 1285366594 /nfs/dbraw/zinc/36/65/94/1285366594.db2.gz ZHKQAWKWSVJGBY-QKNQBKEWSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094556581 1285366599 /nfs/dbraw/zinc/36/65/99/1285366599.db2.gz ZHKQAWKWSVJGBY-QKNQBKEWSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902698 1285382963 /nfs/dbraw/zinc/38/29/63/1285382963.db2.gz OCPIGHYPOXJZPE-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902698 1285382965 /nfs/dbraw/zinc/38/29/65/1285382965.db2.gz OCPIGHYPOXJZPE-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C#CCOCCOCCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977051 1285960326 /nfs/dbraw/zinc/96/03/26/1285960326.db2.gz WSDSBGXDHPBBJL-FQEVSTJZSA-N 1 3 344.499 2.686 20 30 EFEDHO C#CCOCCOCCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977051 1285960327 /nfs/dbraw/zinc/96/03/27/1285960327.db2.gz WSDSBGXDHPBBJL-FQEVSTJZSA-N 1 3 344.499 2.686 20 30 EFEDHO CCCCCCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856819 1286033058 /nfs/dbraw/zinc/03/30/58/1286033058.db2.gz RUXHCYUPTLNUNC-SFHVURJKSA-N 1 3 329.504 2.875 20 30 EFEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172300785 1286089162 /nfs/dbraw/zinc/08/91/62/1286089162.db2.gz ZHHRWKWDBFUQHL-QGZVFWFLSA-N 1 3 341.499 2.970 20 30 EFEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172299949 1286111618 /nfs/dbraw/zinc/11/16/18/1286111618.db2.gz PRNPZINPSPAWDS-VDGAXYAQSA-N 1 3 327.472 2.722 20 30 EFEDHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H](C)CCCC#N)CC2)C1 ZINC001172497146 1286171775 /nfs/dbraw/zinc/17/17/75/1286171775.db2.gz YSZBFFWVKLNDOB-SJORKVTESA-N 1 3 335.492 2.808 20 30 EFEDHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H](C)CCCC#N)CC2)C1 ZINC001172497146 1286171783 /nfs/dbraw/zinc/17/17/83/1286171783.db2.gz YSZBFFWVKLNDOB-SJORKVTESA-N 1 3 335.492 2.808 20 30 EFEDHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H](C)CCCC#N)CC2)C1 ZINC001172497143 1286172079 /nfs/dbraw/zinc/17/20/79/1286172079.db2.gz YSZBFFWVKLNDOB-DLBZAZTESA-N 1 3 335.492 2.808 20 30 EFEDHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H](C)CCCC#N)CC2)C1 ZINC001172497143 1286172084 /nfs/dbraw/zinc/17/20/84/1286172084.db2.gz YSZBFFWVKLNDOB-DLBZAZTESA-N 1 3 335.492 2.808 20 30 EFEDHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H](C)CCCC#N)CC2)C1 ZINC001172497144 1286172286 /nfs/dbraw/zinc/17/22/86/1286172286.db2.gz YSZBFFWVKLNDOB-IAGOWNOFSA-N 1 3 335.492 2.808 20 30 EFEDHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H](C)CCCC#N)CC2)C1 ZINC001172497144 1286172292 /nfs/dbraw/zinc/17/22/92/1286172292.db2.gz YSZBFFWVKLNDOB-IAGOWNOFSA-N 1 3 335.492 2.808 20 30 EFEDHO CC[N@H+](CCCN(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989173 1286366902 /nfs/dbraw/zinc/36/69/02/1286366902.db2.gz GGDAFLCQZLSIIC-HOTGVXAUSA-N 1 3 338.496 2.552 20 30 EFEDHO CC[N@@H+](CCCN(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989173 1286366913 /nfs/dbraw/zinc/36/69/13/1286366913.db2.gz GGDAFLCQZLSIIC-HOTGVXAUSA-N 1 3 338.496 2.552 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095061399 1286471014 /nfs/dbraw/zinc/47/10/14/1286471014.db2.gz VQBPKJXLEGIXAB-SXLOBPIMSA-N 1 3 341.499 2.907 20 30 EFEDHO C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203256292 1286761498 /nfs/dbraw/zinc/76/14/98/1286761498.db2.gz HIBVAWITESHHTC-SJORKVTESA-N 1 3 333.520 2.844 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772758 1287170356 /nfs/dbraw/zinc/17/03/56/1287170356.db2.gz HJQWLZDMYBWAIL-QZTJIDSGSA-N 1 3 343.515 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CCCC2)CC1 ZINC001176738143 1288088849 /nfs/dbraw/zinc/08/88/49/1288088849.db2.gz PCOVMPGNKYIGKB-GOSISDBHSA-N 1 3 347.547 2.786 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC2CC(C)C2)CC1 ZINC001176739816 1288089883 /nfs/dbraw/zinc/08/98/83/1288089883.db2.gz ZXKMUKNBQFNXIZ-XBMUEBEBSA-N 1 3 347.547 2.642 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176754347 1288120696 /nfs/dbraw/zinc/12/06/96/1288120696.db2.gz TWIVMLPUCKFAGE-KRWDZBQOSA-N 1 3 344.503 2.663 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001176926436 1288176833 /nfs/dbraw/zinc/17/68/33/1288176833.db2.gz MIKBXDKCVDHFHE-FQEVSTJZSA-N 1 3 341.499 2.579 20 30 EFEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCCN1C(C)C ZINC001177433441 1288438148 /nfs/dbraw/zinc/43/81/48/1288438148.db2.gz GBKLNUKWQSEMDR-HXUWFJFHSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001177484588 1288445605 /nfs/dbraw/zinc/44/56/05/1288445605.db2.gz GPUBFYKKGMTEFT-OALUTQOASA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001177484931 1288445738 /nfs/dbraw/zinc/44/57/38/1288445738.db2.gz ODOYYZOGIJKNNG-OALUTQOASA-N 1 3 347.547 2.881 20 30 EFEDHO C#Cc1ccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)cc1 ZINC000817414004 1288591229 /nfs/dbraw/zinc/59/12/29/1288591229.db2.gz PLVYCJZDLPEDIF-UHFFFAOYSA-N 1 3 325.500 2.660 20 30 EFEDHO C#Cc1ccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)cc1 ZINC000817414004 1288591238 /nfs/dbraw/zinc/59/12/38/1288591238.db2.gz PLVYCJZDLPEDIF-UHFFFAOYSA-N 1 3 325.500 2.660 20 30 EFEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001178732286 1288887493 /nfs/dbraw/zinc/88/74/93/1288887493.db2.gz PRZRSQZQPABYRX-YZGWKJHDSA-N 1 3 341.499 2.521 20 30 EFEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001178732286 1288887500 /nfs/dbraw/zinc/88/75/00/1288887500.db2.gz PRZRSQZQPABYRX-YZGWKJHDSA-N 1 3 341.499 2.521 20 30 EFEDHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001179609557 1289198094 /nfs/dbraw/zinc/19/80/94/1289198094.db2.gz WAYMKDXPEDWJOT-IBGZPJMESA-N 1 3 344.503 2.665 20 30 EFEDHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001180123293 1289425597 /nfs/dbraw/zinc/42/55/97/1289425597.db2.gz FUUHZCYUGBXSDX-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)CN(CC)CC ZINC001171061070 1289735607 /nfs/dbraw/zinc/73/56/07/1289735607.db2.gz QCEXPQNOJIUHDK-LSDHHAIUSA-N 1 3 335.895 2.683 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001181442116 1289810227 /nfs/dbraw/zinc/81/02/27/1289810227.db2.gz XUWIGFWOWSUGEI-WSTZPKSXSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746275 1289926804 /nfs/dbraw/zinc/92/68/04/1289926804.db2.gz PGYAYQNVGOZHQQ-ZIFCJYIRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185167809 1290606732 /nfs/dbraw/zinc/60/67/32/1290606732.db2.gz FJGYSFXDTOEMTO-MSOLQXFVSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185360965 1290651054 /nfs/dbraw/zinc/65/10/54/1290651054.db2.gz RHRNADYIPIROJC-MOPGFXCFSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185381832 1290662160 /nfs/dbraw/zinc/66/21/60/1290662160.db2.gz SIIVUKMOSMZVKA-RTBURBONSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001166793557 1312843024 /nfs/dbraw/zinc/84/30/24/1312843024.db2.gz UMJJWFMMKYKFTL-INIZCTEOSA-N 1 3 341.927 2.737 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793557 1312843027 /nfs/dbraw/zinc/84/30/27/1312843027.db2.gz UMJJWFMMKYKFTL-INIZCTEOSA-N 1 3 341.927 2.737 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)C(F)(F)F ZINC000249114946 1291308457 /nfs/dbraw/zinc/30/84/57/1291308457.db2.gz DLWKNWGDWDHRDG-HUUCEWRRSA-N 1 3 342.409 2.721 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559350 1291765077 /nfs/dbraw/zinc/76/50/77/1291765077.db2.gz GKPOBWZJWSUWJW-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605900 1291860621 /nfs/dbraw/zinc/86/06/21/1291860621.db2.gz OUIYNEWIHDNARQ-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473581 1312901026 /nfs/dbraw/zinc/90/10/26/1312901026.db2.gz MCVMYGRJZYIUMU-YSIASYRMSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473581 1312901030 /nfs/dbraw/zinc/90/10/30/1312901030.db2.gz MCVMYGRJZYIUMU-YSIASYRMSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475752 1312903584 /nfs/dbraw/zinc/90/35/84/1312903584.db2.gz ARHOODDAGLKMOS-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475752 1312903587 /nfs/dbraw/zinc/90/35/87/1312903587.db2.gz ARHOODDAGLKMOS-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507579 1312942238 /nfs/dbraw/zinc/94/22/38/1312942238.db2.gz SXUMLPMDHGBMNM-ZWKOTPCHSA-N 1 3 333.520 2.539 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525826 1312966989 /nfs/dbraw/zinc/96/69/89/1312966989.db2.gz RFXYAEWJIBWANI-QRVBRYPASA-N 1 3 331.504 2.645 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049525826 1312966993 /nfs/dbraw/zinc/96/69/93/1312966993.db2.gz RFXYAEWJIBWANI-QRVBRYPASA-N 1 3 331.504 2.645 20 30 EFEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246312 1293569917 /nfs/dbraw/zinc/56/99/17/1293569917.db2.gz KXCHEDVEECITPL-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246312 1293569920 /nfs/dbraw/zinc/56/99/20/1293569920.db2.gz KXCHEDVEECITPL-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001203771806 1313011413 /nfs/dbraw/zinc/01/14/13/1313011413.db2.gz PAXZYIFJLTZBRO-RBUKOAKNSA-N 1 3 341.499 2.955 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016860496 1313015093 /nfs/dbraw/zinc/01/50/93/1313015093.db2.gz IHTNZPIFLWQEST-ZWKOTPCHSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862017 1313015348 /nfs/dbraw/zinc/01/53/48/1313015348.db2.gz RQFNWKIYXGZAHC-ROUUACIJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016861008 1313015612 /nfs/dbraw/zinc/01/56/12/1313015612.db2.gz MJFPZOJOMWMCJN-QZTJIDSGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016861010 1313015742 /nfs/dbraw/zinc/01/57/42/1313015742.db2.gz MJFPZOJOMWMCJN-ZWKOTPCHSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196026117 1294110919 /nfs/dbraw/zinc/11/09/19/1294110919.db2.gz ZKTXPBOWCSXNRZ-IRXDYDNUSA-N 1 3 327.488 2.555 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196026117 1294110923 /nfs/dbraw/zinc/11/09/23/1294110923.db2.gz ZKTXPBOWCSXNRZ-IRXDYDNUSA-N 1 3 327.488 2.555 20 30 EFEDHO C=CCCCCCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417368 1294241077 /nfs/dbraw/zinc/24/10/77/1294241077.db2.gz QJYYTKNRVQDLRR-UHFFFAOYSA-N 1 3 333.520 2.896 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982346 1313070736 /nfs/dbraw/zinc/07/07/36/1313070736.db2.gz GTUNGJKQMZZKFN-LJQANCHMSA-N 1 3 341.499 2.909 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016981509 1313070369 /nfs/dbraw/zinc/07/03/69/1313070369.db2.gz CVAWNKSDRXMFQO-LJQANCHMSA-N 1 3 341.499 2.909 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016982909 1313071266 /nfs/dbraw/zinc/07/12/66/1313071266.db2.gz NHHSYPFHMFGOTJ-LJQANCHMSA-N 1 3 341.499 2.909 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016982816 1313071508 /nfs/dbraw/zinc/07/15/08/1313071508.db2.gz LZMKMRXVJJAJQM-LJQANCHMSA-N 1 3 341.499 2.909 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016983952 1313071880 /nfs/dbraw/zinc/07/18/80/1313071880.db2.gz WYSZYSMGLBZWEE-SFHVURJKSA-N 1 3 327.472 2.519 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@@H](C)c1ccccc1 ZINC000303775805 1294580307 /nfs/dbraw/zinc/58/03/07/1294580307.db2.gz HDOWHSPFYQFOPF-FUHWJXTLSA-N 1 3 332.492 2.543 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2cc(OC)ccc2c1 ZINC000303791175 1294583495 /nfs/dbraw/zinc/58/34/95/1294583495.db2.gz XCMSGHHCQCJKCU-GOSISDBHSA-N 1 3 340.471 2.737 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Cl)cc(Cl)c1 ZINC000303884146 1294598195 /nfs/dbraw/zinc/59/81/95/1294598195.db2.gz MRAXINQRMCXDCQ-OAHLLOKOSA-N 1 3 343.302 2.925 20 30 EFEDHO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCCCO2)cc1C#N ZINC001276443507 1313087599 /nfs/dbraw/zinc/08/75/99/1313087599.db2.gz KLGCHYHIBTWWOE-DLZDZTESSA-N 1 3 342.487 2.551 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC1CCCC1 ZINC000303910349 1294602316 /nfs/dbraw/zinc/60/23/16/1294602316.db2.gz YTRRIBHHWGJWBD-KRWDZBQOSA-N 1 3 344.503 2.897 20 30 EFEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NCCN(C)[C@@H](C)CC)c1 ZINC000303974272 1294614317 /nfs/dbraw/zinc/61/43/17/1294614317.db2.gz HVURGKKXMCZNOG-AWEZNQCLSA-N 1 3 336.480 2.941 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615588 1313089657 /nfs/dbraw/zinc/08/96/57/1313089657.db2.gz LVBHONLXDKCDFK-QRVBRYPASA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615588 1313089661 /nfs/dbraw/zinc/08/96/61/1313089661.db2.gz LVBHONLXDKCDFK-QRVBRYPASA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615349 1313089882 /nfs/dbraw/zinc/08/98/82/1313089882.db2.gz JEFBECOAAQJPAU-OTWHNJEPSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615349 1313089885 /nfs/dbraw/zinc/08/98/85/1313089885.db2.gz JEFBECOAAQJPAU-OTWHNJEPSA-N 1 3 331.504 2.502 20 30 EFEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345898 1313109850 /nfs/dbraw/zinc/10/98/50/1313109850.db2.gz NRXZZJPHKRLPEE-OALUTQOASA-N 1 3 335.536 2.831 20 30 EFEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345430 1313109906 /nfs/dbraw/zinc/10/99/06/1313109906.db2.gz IIVPOFBIDVWMPL-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1OC ZINC001198759961 1295237110 /nfs/dbraw/zinc/23/71/10/1295237110.db2.gz NZPVRZQBPKXPAH-KRWDZBQOSA-N 1 3 345.487 2.503 20 30 EFEDHO C=C(C)CCN[C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953587 1295353714 /nfs/dbraw/zinc/35/37/14/1295353714.db2.gz QWBIRONUHNESDF-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO C=C(C)CCN[C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953587 1295353724 /nfs/dbraw/zinc/35/37/24/1295353724.db2.gz QWBIRONUHNESDF-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642117 1313176210 /nfs/dbraw/zinc/17/62/10/1313176210.db2.gz HFWIIYJYXLOVPR-ZWKOTPCHSA-N 1 3 341.515 2.945 20 30 EFEDHO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642117 1313176212 /nfs/dbraw/zinc/17/62/12/1313176212.db2.gz HFWIIYJYXLOVPR-ZWKOTPCHSA-N 1 3 341.515 2.945 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1C(C)C ZINC000304756570 1295750662 /nfs/dbraw/zinc/75/06/62/1295750662.db2.gz NUVAGOWMGDQAAM-INIZCTEOSA-N 1 3 332.492 2.577 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(Sc2ccccc2)CC1 ZINC000304759805 1295751034 /nfs/dbraw/zinc/75/10/34/1295751034.db2.gz ROULKVDIIRUDMI-OAHLLOKOSA-N 1 3 332.517 2.700 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(Cl)c2)CC1 ZINC000304754094 1295751460 /nfs/dbraw/zinc/75/14/60/1295751460.db2.gz LOUYYHRHBCWTAK-MRXNPFEDSA-N 1 3 334.895 2.760 20 30 EFEDHO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCCN2CC)C12CCCCC2 ZINC000304805968 1295760227 /nfs/dbraw/zinc/76/02/27/1295760227.db2.gz RSTXQOBAWYGTNO-GVDBMIGSSA-N 1 3 336.524 2.503 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000305006318 1295835408 /nfs/dbraw/zinc/83/54/08/1295835408.db2.gz PLPVVPBDISXHAL-GOSISDBHSA-N 1 3 328.504 2.788 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049766761 1313276801 /nfs/dbraw/zinc/27/68/01/1313276801.db2.gz MXSGZQZNRLHZFS-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049766761 1313276805 /nfs/dbraw/zinc/27/68/05/1313276805.db2.gz MXSGZQZNRLHZFS-GUDVDZBRSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049768219 1313278794 /nfs/dbraw/zinc/27/87/94/1313278794.db2.gz UVEHFJPSHGGSTM-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049768219 1313278796 /nfs/dbraw/zinc/27/87/96/1313278796.db2.gz UVEHFJPSHGGSTM-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461368 1313293430 /nfs/dbraw/zinc/29/34/30/1313293430.db2.gz HOBYDVLWCONKSK-LJQANCHMSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339009 1313295642 /nfs/dbraw/zinc/29/56/42/1313295642.db2.gz WKQYDMPBCRWYMT-MOPGFXCFSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001235339009 1313295646 /nfs/dbraw/zinc/29/56/46/1313295646.db2.gz WKQYDMPBCRWYMT-MOPGFXCFSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789039 1313302533 /nfs/dbraw/zinc/30/25/33/1313302533.db2.gz UYNDZQKGWYTGRZ-MOPGFXCFSA-N 1 3 327.472 2.613 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](CCCCC#N)C[C@H]3CC2)cc1C#N ZINC001277948689 1313334979 /nfs/dbraw/zinc/33/49/79/1313334979.db2.gz MMGYKKKYSDOMGP-KDURUIRLSA-N 1 3 339.487 2.734 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](CCCCC#N)C[C@H]3CC2)cc1C#N ZINC001277948689 1313334982 /nfs/dbraw/zinc/33/49/82/1313334982.db2.gz MMGYKKKYSDOMGP-KDURUIRLSA-N 1 3 339.487 2.734 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849038 1313384338 /nfs/dbraw/zinc/38/43/38/1313384338.db2.gz MTLOCQKOOJKILQ-HZPDHXFCSA-N 1 3 330.476 2.719 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849038 1313384342 /nfs/dbraw/zinc/38/43/42/1313384342.db2.gz MTLOCQKOOJKILQ-HZPDHXFCSA-N 1 3 330.476 2.719 20 30 EFEDHO C=CCC[NH2+]CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206273894 1313429112 /nfs/dbraw/zinc/42/91/12/1313429112.db2.gz CQQYNDJFAVPWFG-IBGZPJMESA-N 1 3 339.499 2.603 20 30 EFEDHO C=CCOc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1OC ZINC000903954796 1313479321 /nfs/dbraw/zinc/47/93/21/1313479321.db2.gz WDKSBBHPQPHFPY-CQSZACIVSA-N 1 3 326.387 2.594 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188630 1298273437 /nfs/dbraw/zinc/27/34/37/1298273437.db2.gz VVZRZVCWLZZMND-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188630 1298273443 /nfs/dbraw/zinc/27/34/43/1298273443.db2.gz VVZRZVCWLZZMND-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049922085 1313487699 /nfs/dbraw/zinc/48/76/99/1313487699.db2.gz YCALJONJDMAYQD-IPMKNSEASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230161 1298373547 /nfs/dbraw/zinc/37/35/47/1298373547.db2.gz KPDZTPLTQAFKIB-OALUTQOASA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230161 1298373557 /nfs/dbraw/zinc/37/35/57/1298373557.db2.gz KPDZTPLTQAFKIB-OALUTQOASA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961243939 1298405226 /nfs/dbraw/zinc/40/52/26/1298405226.db2.gz AKQOBIRJAKMZDT-WOJBJXKFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961243939 1298405229 /nfs/dbraw/zinc/40/52/29/1298405229.db2.gz AKQOBIRJAKMZDT-WOJBJXKFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961243931 1298405839 /nfs/dbraw/zinc/40/58/39/1298405839.db2.gz AKQOBIRJAKMZDT-PMACEKPBSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961243931 1298405845 /nfs/dbraw/zinc/40/58/45/1298405845.db2.gz AKQOBIRJAKMZDT-PMACEKPBSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373572 1298639288 /nfs/dbraw/zinc/63/92/88/1298639288.db2.gz HUNCPHFNVIXDEF-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373572 1298639303 /nfs/dbraw/zinc/63/93/03/1298639303.db2.gz HUNCPHFNVIXDEF-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961401303 1298692774 /nfs/dbraw/zinc/69/27/74/1298692774.db2.gz DGNCXROFHYYTBI-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961401303 1298692786 /nfs/dbraw/zinc/69/27/86/1298692786.db2.gz DGNCXROFHYYTBI-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410066 1298705033 /nfs/dbraw/zinc/70/50/33/1298705033.db2.gz FDFKALPDNAFSLR-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410066 1298705041 /nfs/dbraw/zinc/70/50/41/1298705041.db2.gz FDFKALPDNAFSLR-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCN(CCN1CCC(CC2CC[NH2+]CC2)CC1)C(=O)OCC ZINC001236948401 1313559459 /nfs/dbraw/zinc/55/94/59/1313559459.db2.gz PUQHJVGOPUSPCA-UHFFFAOYSA-N 1 3 337.508 2.733 20 30 EFEDHO Cn1cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1C#N ZINC001207109837 1313614723 /nfs/dbraw/zinc/61/47/23/1313614723.db2.gz WDXOJVPYAYFDMI-UHFFFAOYSA-N 1 3 334.467 2.995 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1CCCC ZINC000962275611 1299540403 /nfs/dbraw/zinc/54/04/03/1299540403.db2.gz VYIKNFDFNDTABL-HCXYKTFWSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1CCCC ZINC000962275611 1299540411 /nfs/dbraw/zinc/54/04/11/1299540411.db2.gz VYIKNFDFNDTABL-HCXYKTFWSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133120 1313703559 /nfs/dbraw/zinc/70/35/59/1313703559.db2.gz SCAWFRCZYSRMAR-KDURUIRLSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358272 1300681400 /nfs/dbraw/zinc/68/14/00/1300681400.db2.gz QCBHWUQWEMQUOM-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358272 1300681403 /nfs/dbraw/zinc/68/14/03/1300681403.db2.gz QCBHWUQWEMQUOM-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365711 1300698764 /nfs/dbraw/zinc/69/87/64/1300698764.db2.gz HBFREMUAIQAMCT-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365711 1300698773 /nfs/dbraw/zinc/69/87/73/1300698773.db2.gz HBFREMUAIQAMCT-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365709 1300699358 /nfs/dbraw/zinc/69/93/58/1300699358.db2.gz HBFREMUAIQAMCT-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365709 1300699370 /nfs/dbraw/zinc/69/93/70/1300699370.db2.gz HBFREMUAIQAMCT-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383998 1300740279 /nfs/dbraw/zinc/74/02/79/1300740279.db2.gz PUNBBDGINUEKMZ-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383998 1300740289 /nfs/dbraw/zinc/74/02/89/1300740289.db2.gz PUNBBDGINUEKMZ-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383996 1300740651 /nfs/dbraw/zinc/74/06/51/1300740651.db2.gz PUNBBDGINUEKMZ-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383996 1300740659 /nfs/dbraw/zinc/74/06/59/1300740659.db2.gz PUNBBDGINUEKMZ-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383999 1300741569 /nfs/dbraw/zinc/74/15/69/1300741569.db2.gz PUNBBDGINUEKMZ-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383999 1300741583 /nfs/dbraw/zinc/74/15/83/1300741583.db2.gz PUNBBDGINUEKMZ-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963417611 1300811057 /nfs/dbraw/zinc/81/10/57/1300811057.db2.gz ORONCXKXYMVXPL-SJORKVTESA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963417611 1300811068 /nfs/dbraw/zinc/81/10/68/1300811068.db2.gz ORONCXKXYMVXPL-SJORKVTESA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176919 1313728272 /nfs/dbraw/zinc/72/82/72/1313728272.db2.gz SMUGCUGJXSVPIH-ZSYWTGECSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CC[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502229 1301643834 /nfs/dbraw/zinc/64/38/34/1301643834.db2.gz BMJVJHSZXPKCGN-LJQANCHMSA-N 1 3 339.499 2.746 20 30 EFEDHO CCCCCCCCCCS(=O)(=O)NCCCN(C)CCC[NH3+] ZINC001238615113 1313846104 /nfs/dbraw/zinc/84/61/04/1313846104.db2.gz QLNACOYJMFUVJE-UHFFFAOYSA-N 1 3 349.585 2.717 20 30 EFEDHO C=CCOCc1ncn2c1CN(CC1(C)CC[NH+](C)CC1)CCC2 ZINC001208106301 1313848428 /nfs/dbraw/zinc/84/84/28/1313848428.db2.gz BXEMBVFZBLVCEA-UHFFFAOYSA-N 1 3 332.492 2.523 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486142 1304008558 /nfs/dbraw/zinc/00/85/58/1304008558.db2.gz CKMLQLNIIFGMOL-HOCLYGCPSA-N 1 3 335.517 2.826 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486142 1304008565 /nfs/dbraw/zinc/00/85/65/1304008565.db2.gz CKMLQLNIIFGMOL-HOCLYGCPSA-N 1 3 335.517 2.826 20 30 EFEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC ZINC001037983140 1305589165 /nfs/dbraw/zinc/58/91/65/1305589165.db2.gz MBPWSKFMVQINHK-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO CCCCCCCCCCCC[C@@H](O)CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246021074 1314567739 /nfs/dbraw/zinc/56/77/39/1314567739.db2.gz LDGHFJAOBYIXEJ-IPMKNSEASA-N 1 3 328.541 2.910 20 30 EFEDHO C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419530 1306290228 /nfs/dbraw/zinc/29/02/28/1306290228.db2.gz USGQTWFCRBUGML-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCCN1CCCCC1)C2 ZINC001209449788 1314164894 /nfs/dbraw/zinc/16/48/94/1314164894.db2.gz LFFYBOSGQOJHOJ-HXUWFJFHSA-N 1 3 333.520 2.896 20 30 EFEDHO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CCCN1CCCCC1)C2 ZINC001209449788 1314164897 /nfs/dbraw/zinc/16/48/97/1314164897.db2.gz LFFYBOSGQOJHOJ-HXUWFJFHSA-N 1 3 333.520 2.896 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209640409 1314205928 /nfs/dbraw/zinc/20/59/28/1314205928.db2.gz BXXFSUACQFIEPF-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278201 1307956167 /nfs/dbraw/zinc/95/61/67/1307956167.db2.gz VZSHXZFSZAVFCT-IEBWSBKVSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCCN1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278201 1307956171 /nfs/dbraw/zinc/95/61/71/1307956171.db2.gz VZSHXZFSZAVFCT-IEBWSBKVSA-N 1 3 333.520 2.940 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943065 1307956783 /nfs/dbraw/zinc/95/67/83/1307956783.db2.gz FVNCWNCWQVERRN-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943065 1307956789 /nfs/dbraw/zinc/95/67/89/1307956789.db2.gz FVNCWNCWQVERRN-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965355 1308017807 /nfs/dbraw/zinc/01/78/07/1308017807.db2.gz GMAGPLFNLZCSDJ-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965355 1308017815 /nfs/dbraw/zinc/01/78/15/1308017815.db2.gz GMAGPLFNLZCSDJ-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965356 1308018220 /nfs/dbraw/zinc/01/82/20/1308018220.db2.gz GMAGPLFNLZCSDJ-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965356 1308018224 /nfs/dbraw/zinc/01/82/24/1308018224.db2.gz GMAGPLFNLZCSDJ-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510440 1308125431 /nfs/dbraw/zinc/12/54/31/1308125431.db2.gz PXKAXBZRFSVHQQ-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510440 1308125435 /nfs/dbraw/zinc/12/54/35/1308125435.db2.gz PXKAXBZRFSVHQQ-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853239 1309526570 /nfs/dbraw/zinc/52/65/70/1309526570.db2.gz UPTQTGVHPOGKAJ-HXUWFJFHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853239 1309526576 /nfs/dbraw/zinc/52/65/76/1309526576.db2.gz UPTQTGVHPOGKAJ-HXUWFJFHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCc1cccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1[O-] ZINC001276685345 1314342793 /nfs/dbraw/zinc/34/27/93/1314342793.db2.gz ZAPIZFJCEQEQNN-UHFFFAOYSA-N 1 3 343.515 2.580 20 30 EFEDHO C=CCc1cccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1[O-] ZINC001276685345 1314342796 /nfs/dbraw/zinc/34/27/96/1314342796.db2.gz ZAPIZFJCEQEQNN-UHFFFAOYSA-N 1 3 343.515 2.580 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001047225410 1310351756 /nfs/dbraw/zinc/35/17/56/1310351756.db2.gz DIQLOBUXPQPSFV-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047244677 1310401900 /nfs/dbraw/zinc/40/19/00/1310401900.db2.gz UMTJUFJXUHGOHS-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047256814 1310431639 /nfs/dbraw/zinc/43/16/39/1310431639.db2.gz OCSGCAXJMLLAOZ-UYAOXDASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047257020 1310431903 /nfs/dbraw/zinc/43/19/03/1310431903.db2.gz OLXSOUWOQMJTMN-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001047266215 1310460502 /nfs/dbraw/zinc/46/05/02/1310460502.db2.gz TUCWCMIHYDVHSR-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001222042741 1311073637 /nfs/dbraw/zinc/07/36/37/1311073637.db2.gz IVIBBXGSTDATEU-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001222042741 1311073641 /nfs/dbraw/zinc/07/36/41/1311073641.db2.gz IVIBBXGSTDATEU-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099491140 1311097994 /nfs/dbraw/zinc/09/79/94/1311097994.db2.gz YTSVOENSMPSAOP-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099491140 1311097996 /nfs/dbraw/zinc/09/79/96/1311097996.db2.gz YTSVOENSMPSAOP-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426657 1311358034 /nfs/dbraw/zinc/35/80/34/1311358034.db2.gz HLDNYKLQOHBZLZ-DJIMGWMZSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224560763 1311407491 /nfs/dbraw/zinc/40/74/91/1311407491.db2.gz WXVCOXOKCBYEHE-IBGZPJMESA-N 1 3 339.499 2.603 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360407 1311697046 /nfs/dbraw/zinc/69/70/46/1311697046.db2.gz QMIKORVAWTUDMW-VQIMIIECSA-N 1 3 333.520 2.820 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360407 1311697048 /nfs/dbraw/zinc/69/70/48/1311697048.db2.gz QMIKORVAWTUDMW-VQIMIIECSA-N 1 3 333.520 2.820 20 30 EFEDHO C[C@H](CS)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165232 1311770518 /nfs/dbraw/zinc/77/05/18/1311770518.db2.gz QEDQLHKJQGNZQI-CQSZACIVSA-N 1 3 339.549 2.569 20 30 EFEDHO N#Cc1ccc(CN2CCC(NC[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902481607 1311781496 /nfs/dbraw/zinc/78/14/96/1311781496.db2.gz FNOGGAAAANSDDK-HXUWFJFHSA-N 1 3 326.488 2.644 20 30 EFEDHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001048584256 1311934276 /nfs/dbraw/zinc/93/42/76/1311934276.db2.gz XORPLAOEYOZTHF-YRPNKDGESA-N 1 3 345.531 2.633 20 30 EFEDHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001048584256 1311934278 /nfs/dbraw/zinc/93/42/78/1311934278.db2.gz XORPLAOEYOZTHF-YRPNKDGESA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC001161679293 1311948932 /nfs/dbraw/zinc/94/89/32/1311948932.db2.gz YAJYHCSHCXUTKR-FQEVSTJZSA-N 1 3 345.531 2.803 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679293 1311948936 /nfs/dbraw/zinc/94/89/36/1311948936.db2.gz YAJYHCSHCXUTKR-FQEVSTJZSA-N 1 3 345.531 2.803 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832394 1312186249 /nfs/dbraw/zinc/18/62/49/1312186249.db2.gz RBWOCPZNUMBFFR-UHFFFAOYSA-N 1 3 343.515 2.708 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162841337 1312187871 /nfs/dbraw/zinc/18/78/71/1312187871.db2.gz SEXREQOPMSOWRR-LJQANCHMSA-N 1 3 331.504 2.564 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)CCC=C)CC1 ZINC001230251869 1312211197 /nfs/dbraw/zinc/21/11/97/1312211197.db2.gz NRYXYBPQXFWWOE-MISYRCLQSA-N 1 3 345.531 2.703 20 30 EFEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286873 1312216057 /nfs/dbraw/zinc/21/60/57/1312216057.db2.gz UXINWJRSXFRTOB-QRVBRYPASA-N 1 3 333.520 2.537 20 30 EFEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286872 1312216064 /nfs/dbraw/zinc/21/60/64/1312216064.db2.gz UXINWJRSXFRTOB-GUDVDZBRSA-N 1 3 333.520 2.537 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CC[NH+](C[C@@H](C)CC(C)C)CC2)CC1 ZINC001230354679 1312227852 /nfs/dbraw/zinc/22/78/52/1312227852.db2.gz HELJRNMGMPUOTQ-SFHVURJKSA-N 1 3 347.547 2.594 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001230598555 1312278344 /nfs/dbraw/zinc/27/83/44/1312278344.db2.gz SIBWYQHQPZQOTA-RBUKOAKNSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001230598555 1312278346 /nfs/dbraw/zinc/27/83/46/1312278346.db2.gz SIBWYQHQPZQOTA-RBUKOAKNSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627111 1312288629 /nfs/dbraw/zinc/28/86/29/1312288629.db2.gz AXOIDTLCMFLQDF-LJQANCHMSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627111 1312288632 /nfs/dbraw/zinc/28/86/32/1312288632.db2.gz AXOIDTLCMFLQDF-LJQANCHMSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097957 1312453503 /nfs/dbraw/zinc/45/35/03/1312453503.db2.gz YTJMHLPCKJXXNQ-OTWHNJEPSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097957 1312453505 /nfs/dbraw/zinc/45/35/05/1312453505.db2.gz YTJMHLPCKJXXNQ-OTWHNJEPSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001164536983 1312535740 /nfs/dbraw/zinc/53/57/40/1312535740.db2.gz YRYMHBZXMHYOBK-UHFFFAOYSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052991001 1314547381 /nfs/dbraw/zinc/54/73/81/1314547381.db2.gz TWBQZQBDDZVQKO-WSTZPKSXSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052991000 1314547449 /nfs/dbraw/zinc/54/74/49/1314547449.db2.gz TWBQZQBDDZVQKO-NSHGMRRFSA-N 1 3 333.520 2.748 20 30 EFEDHO CCCCCCCC[C@@H](O)C[NH2+]C[C@@]12CCCO[C@@H]1CCNC2 ZINC001245984810 1314559505 /nfs/dbraw/zinc/55/95/05/1314559505.db2.gz PFHRCXQXGGIRLS-QRVBRYPASA-N 1 3 326.525 2.846 20 30 EFEDHO CCCCCCCC[C@@H](O)CNC[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001245984810 1314559507 /nfs/dbraw/zinc/55/95/07/1314559507.db2.gz PFHRCXQXGGIRLS-QRVBRYPASA-N 1 3 326.525 2.846 20 30 EFEDHO CCCCCCCCCCCC[C@@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246017197 1314566715 /nfs/dbraw/zinc/56/67/15/1314566715.db2.gz WVBHMADJPBTQNR-RTBURBONSA-N 1 3 327.557 2.809 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027849 1314598575 /nfs/dbraw/zinc/59/85/75/1314598575.db2.gz IDGZCDOXMQFSDS-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027849 1314598581 /nfs/dbraw/zinc/59/85/81/1314598581.db2.gz IDGZCDOXMQFSDS-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030020 1314604549 /nfs/dbraw/zinc/60/45/49/1314604549.db2.gz ZYAZJLJZUVRVFC-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030020 1314604553 /nfs/dbraw/zinc/60/45/53/1314604553.db2.gz ZYAZJLJZUVRVFC-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042432 1314623953 /nfs/dbraw/zinc/62/39/53/1314623953.db2.gz PWEQNNYZKVNQTD-RBUKOAKNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042432 1314623956 /nfs/dbraw/zinc/62/39/56/1314623956.db2.gz PWEQNNYZKVNQTD-RBUKOAKNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001020156483 1314640301 /nfs/dbraw/zinc/64/03/01/1314640301.db2.gz NKIAWNMOFNLLHD-BZUAXINKSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156483 1314640306 /nfs/dbraw/zinc/64/03/06/1314640306.db2.gz NKIAWNMOFNLLHD-BZUAXINKSA-N 1 3 339.911 2.630 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@H](C)C3)C2)CC1 ZINC001246528718 1314642493 /nfs/dbraw/zinc/64/24/93/1314642493.db2.gz ZYHPRWOOIBMGFP-SJORKVTESA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCN[C@H](C)C3)C2)CC1 ZINC001246528718 1314642495 /nfs/dbraw/zinc/64/24/95/1314642495.db2.gz ZYHPRWOOIBMGFP-SJORKVTESA-N 1 3 335.492 2.628 20 30 EFEDHO CCCCCCCC[C@@H](CC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246631413 1314661242 /nfs/dbraw/zinc/66/12/42/1314661242.db2.gz XDXVFQTVUGMRFO-YLJYHZDGSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCC[C@@H](CC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246631413 1314661245 /nfs/dbraw/zinc/66/12/45/1314661245.db2.gz XDXVFQTVUGMRFO-YLJYHZDGSA-N 1 3 335.536 2.927 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099767 1314715514 /nfs/dbraw/zinc/71/55/14/1314715514.db2.gz YTTRKWNDLSKOBR-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099767 1314715518 /nfs/dbraw/zinc/71/55/18/1314715518.db2.gz YTTRKWNDLSKOBR-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C1CC[NH2+]C[C@H]1OC[C@@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001217833740 1315116117 /nfs/dbraw/zinc/11/61/17/1315116117.db2.gz YZKYVRRUBBHMLB-TZIWHRDSSA-N 1 3 344.499 2.991 20 30 EFEDHO C=C1CC[NH2+]C[C@@H]1OC[C@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001217833737 1315116364 /nfs/dbraw/zinc/11/63/64/1315116364.db2.gz YZKYVRRUBBHMLB-FPOVZHCZSA-N 1 3 344.499 2.991 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128908 1315337708 /nfs/dbraw/zinc/33/77/08/1315337708.db2.gz GMWKEPKWLSDQBV-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128908 1315337712 /nfs/dbraw/zinc/33/77/12/1315337712.db2.gz GMWKEPKWLSDQBV-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141387 1315357202 /nfs/dbraw/zinc/35/72/02/1315357202.db2.gz KGXTXOINKDNIFJ-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141387 1315357205 /nfs/dbraw/zinc/35/72/05/1315357205.db2.gz KGXTXOINKDNIFJ-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148407 1315370296 /nfs/dbraw/zinc/37/02/96/1315370296.db2.gz NERDZRCXLKHZGS-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148407 1315370298 /nfs/dbraw/zinc/37/02/98/1315370298.db2.gz NERDZRCXLKHZGS-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148408 1315370525 /nfs/dbraw/zinc/37/05/25/1315370525.db2.gz NERDZRCXLKHZGS-ICSRJNTNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148408 1315370529 /nfs/dbraw/zinc/37/05/29/1315370529.db2.gz NERDZRCXLKHZGS-ICSRJNTNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCOc1ccccc1[C@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220663301 1315437779 /nfs/dbraw/zinc/43/77/79/1315437779.db2.gz BSRLFXNKWJIKRU-WMZOPIPTSA-N 1 3 347.503 2.924 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209782 1315461060 /nfs/dbraw/zinc/46/10/60/1315461060.db2.gz XQWISWGEXZPNQK-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C[C@@](C)(O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001252552193 1315466584 /nfs/dbraw/zinc/46/65/84/1315466584.db2.gz HQTFTIHCZWMKRU-VQTJNVASSA-N 1 3 344.499 2.679 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226797 1315485153 /nfs/dbraw/zinc/48/51/53/1315485153.db2.gz ZRCYQXSANACRQU-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226797 1315485158 /nfs/dbraw/zinc/48/51/58/1315485158.db2.gz ZRCYQXSANACRQU-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243631 1315512695 /nfs/dbraw/zinc/51/26/95/1315512695.db2.gz KLLIVYJRZPZFBM-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243631 1315512699 /nfs/dbraw/zinc/51/26/99/1315512699.db2.gz KLLIVYJRZPZFBM-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244830 1315515464 /nfs/dbraw/zinc/51/54/64/1315515464.db2.gz JEYVVVOVCWKEOQ-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244830 1315515468 /nfs/dbraw/zinc/51/54/68/1315515468.db2.gz JEYVVVOVCWKEOQ-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244829 1315515599 /nfs/dbraw/zinc/51/55/99/1315515599.db2.gz JEYVVVOVCWKEOQ-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054244829 1315515602 /nfs/dbraw/zinc/51/56/02/1315515602.db2.gz JEYVVVOVCWKEOQ-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135714 1315520908 /nfs/dbraw/zinc/52/09/08/1315520908.db2.gz IGMNZKNQSNNAOY-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135714 1315520913 /nfs/dbraw/zinc/52/09/13/1315520913.db2.gz IGMNZKNQSNNAOY-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165065 1315563992 /nfs/dbraw/zinc/56/39/92/1315563992.db2.gz NIISCAYSUAYGSG-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165065 1315563995 /nfs/dbraw/zinc/56/39/95/1315563995.db2.gz NIISCAYSUAYGSG-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166497 1315566116 /nfs/dbraw/zinc/56/61/16/1315566116.db2.gz ZFKHVXKNDMOKKB-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166497 1315566120 /nfs/dbraw/zinc/56/61/20/1315566120.db2.gz ZFKHVXKNDMOKKB-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166495 1315567006 /nfs/dbraw/zinc/56/70/06/1315567006.db2.gz ZFKHVXKNDMOKKB-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166495 1315567010 /nfs/dbraw/zinc/56/70/10/1315567010.db2.gz ZFKHVXKNDMOKKB-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234157 1315657807 /nfs/dbraw/zinc/65/78/07/1315657807.db2.gz PRCWGAXSIYMTPM-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234157 1315657809 /nfs/dbraw/zinc/65/78/09/1315657809.db2.gz PRCWGAXSIYMTPM-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO N#CCC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038595 1315667984 /nfs/dbraw/zinc/66/79/84/1315667984.db2.gz JLSKQHGUOPYIAX-UHFFFAOYSA-N 1 3 327.472 2.639 20 30 EFEDHO C#Cc1cccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254050576 1315669258 /nfs/dbraw/zinc/66/92/58/1315669258.db2.gz OMQVLAMDOKXXBT-UHFFFAOYSA-N 1 3 334.463 2.785 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001039298226 1315707289 /nfs/dbraw/zinc/70/72/89/1315707289.db2.gz QLNVNKYCUXFVIQ-HZTRTUMWSA-N 1 3 339.911 2.582 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001039373428 1315746270 /nfs/dbraw/zinc/74/62/70/1315746270.db2.gz UFPUWDLHDBWGCQ-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001039373428 1315746274 /nfs/dbraw/zinc/74/62/74/1315746274.db2.gz UFPUWDLHDBWGCQ-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO O=C1C=C2CN(C3CC[NH+](CCc4ccccc4)CC3)CCC2S1 ZINC001258143653 1316124419 /nfs/dbraw/zinc/12/44/19/1316124419.db2.gz NZAUGCHMAIPJFR-IBGZPJMESA-N 1 3 342.508 2.968 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040237159 1316158761 /nfs/dbraw/zinc/15/87/61/1316158761.db2.gz RKZRFHQFCCQYLO-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040237159 1316158762 /nfs/dbraw/zinc/15/87/62/1316158762.db2.gz RKZRFHQFCCQYLO-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCOC(=O)N1CC2(C1)CCN(C1CC[NH+](CCC)CC1)CC2 ZINC001258771867 1316176358 /nfs/dbraw/zinc/17/63/58/1316176358.db2.gz YPBBVBBHOHRYBM-UHFFFAOYSA-N 1 3 335.492 2.581 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396121 1316241603 /nfs/dbraw/zinc/24/16/03/1316241603.db2.gz SBIKUEQPNNWSNY-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396121 1316241605 /nfs/dbraw/zinc/24/16/05/1316241605.db2.gz SBIKUEQPNNWSNY-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396116 1316242089 /nfs/dbraw/zinc/24/20/89/1316242089.db2.gz SBIKUEQPNNWSNY-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396116 1316242090 /nfs/dbraw/zinc/24/20/90/1316242090.db2.gz SBIKUEQPNNWSNY-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433247 1316263382 /nfs/dbraw/zinc/26/33/82/1316263382.db2.gz VCCJJENGBATMEM-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464713 1316280112 /nfs/dbraw/zinc/28/01/12/1316280112.db2.gz PFBQHLJZKVCRKI-OAQYLSRUSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464713 1316280117 /nfs/dbraw/zinc/28/01/17/1316280117.db2.gz PFBQHLJZKVCRKI-OAQYLSRUSA-N 1 3 347.547 2.999 20 30 EFEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545577 1316316443 /nfs/dbraw/zinc/31/64/43/1316316443.db2.gz RDGMYIXXXODVHA-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545577 1316316445 /nfs/dbraw/zinc/31/64/45/1316316445.db2.gz RDGMYIXXXODVHA-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723426 1316665621 /nfs/dbraw/zinc/66/56/21/1316665621.db2.gz HYSSHXNWEMORQN-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723426 1316665623 /nfs/dbraw/zinc/66/56/23/1316665623.db2.gz HYSSHXNWEMORQN-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844278 1316730813 /nfs/dbraw/zinc/73/08/13/1316730813.db2.gz GBCPTLDSUYTQMG-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844278 1316730815 /nfs/dbraw/zinc/73/08/15/1316730815.db2.gz GBCPTLDSUYTQMG-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001324225025 1329609341 /nfs/dbraw/zinc/60/93/41/1329609341.db2.gz GJLOJCGDTJWESY-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO CCCCCCCC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001340296907 1332169403 /nfs/dbraw/zinc/16/94/03/1332169403.db2.gz KOGQBZQXNGVTQY-STQMWFEESA-N 1 3 338.521 2.976 20 30 EFEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001340400310 1332188128 /nfs/dbraw/zinc/18/81/28/1332188128.db2.gz OKKZKBFOIVGCSI-IBGZPJMESA-N 1 3 344.503 2.839 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001341570366 1332268661 /nfs/dbraw/zinc/26/86/61/1332268661.db2.gz XNGYHBFJNXDEHR-RBUKOAKNSA-N 1 3 329.488 2.698 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570366 1332268662 /nfs/dbraw/zinc/26/86/62/1332268662.db2.gz XNGYHBFJNXDEHR-RBUKOAKNSA-N 1 3 329.488 2.698 20 30 EFEDHO N#Cc1cccnc1NCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC001343646416 1332365747 /nfs/dbraw/zinc/36/57/47/1332365747.db2.gz GGCSLJCJTUVGIQ-UHFFFAOYSA-N 1 3 349.482 2.662 20 30 EFEDHO OCCCN1CCC[C@@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849113696 1335554527 /nfs/dbraw/zinc/55/45/27/1335554527.db2.gz RGYFUTZNMBMAJO-LJQANCHMSA-N 1 3 344.503 2.787 20 30 EFEDHO OCCCN1CCC[C@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849113695 1335554729 /nfs/dbraw/zinc/55/47/29/1335554729.db2.gz RGYFUTZNMBMAJO-IBGZPJMESA-N 1 3 344.503 2.787 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001374571769 1342083430 /nfs/dbraw/zinc/08/34/30/1342083430.db2.gz RTJXMEXBVDBVRW-ZWKOTPCHSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001375174552 1342490479 /nfs/dbraw/zinc/49/04/79/1342490479.db2.gz FVFTYYPHCMTLML-HZPDHXFCSA-N 1 3 343.943 2.981 20 30 EFEDHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382541129 1349007972 /nfs/dbraw/zinc/00/79/72/1349007972.db2.gz QLAXUDGKHGCXAX-SFHVURJKSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001393404951 1356823925 /nfs/dbraw/zinc/82/39/25/1356823925.db2.gz QYERVRKLQZRQCX-JYJNAYRXSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001394430580 1357809900 /nfs/dbraw/zinc/80/99/00/1357809900.db2.gz TVPYFJLLDKFGGP-MRXNPFEDSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401293730 1362639835 /nfs/dbraw/zinc/63/98/35/1362639835.db2.gz ZFWATCZYRUUKRW-DLBZAZTESA-N 1 3 343.943 2.980 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401293732 1362639823 /nfs/dbraw/zinc/63/98/23/1362639823.db2.gz ZFWATCZYRUUKRW-IAGOWNOFSA-N 1 3 343.943 2.980 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001405484393 1366231991 /nfs/dbraw/zinc/23/19/91/1366231991.db2.gz VEQPZPSREPVMCE-RDTXWAMCSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@H]1C ZINC001405484388 1366232035 /nfs/dbraw/zinc/23/20/35/1366232035.db2.gz VEQPZPSREPVMCE-KDOFPFPSSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001405484383 1366232522 /nfs/dbraw/zinc/23/25/22/1366232522.db2.gz VEQPZPSREPVMCE-KBXCAEBGSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CN[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001406077145 1367190174 /nfs/dbraw/zinc/19/01/74/1367190174.db2.gz LUKHZLGMZRNLQI-KRWDZBQOSA-N 1 3 337.895 2.845 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)C2CCC2)CC1 ZINC001407535440 1368953449 /nfs/dbraw/zinc/95/34/49/1368953449.db2.gz KUQMGBIQJWTUNU-WKILWMFISA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001407702469 1369134333 /nfs/dbraw/zinc/13/43/33/1369134333.db2.gz DRLCBPZOPIIJAR-JYJNAYRXSA-N 1 3 329.916 2.590 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890803 1373378042 /nfs/dbraw/zinc/37/80/42/1373378042.db2.gz IBMCPPQGPGOJPG-DLBZAZTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419831250 1375951785 /nfs/dbraw/zinc/95/17/85/1375951785.db2.gz NQVDLNPABBUUCI-HOTGVXAUSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001421842023 1379221727 /nfs/dbraw/zinc/22/17/27/1379221727.db2.gz SZIUEQGLDBXMID-INIZCTEOSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001421842023 1379221729 /nfs/dbraw/zinc/22/17/29/1379221729.db2.gz SZIUEQGLDBXMID-INIZCTEOSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045781 1379537923 /nfs/dbraw/zinc/53/79/23/1379537923.db2.gz FKGYVVARFZNNDU-SJORKVTESA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001423327743 1381790182 /nfs/dbraw/zinc/79/01/82/1381790182.db2.gz UGRGMKFYBXJNPI-QGZVFWFLSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001440222735 1389452456 /nfs/dbraw/zinc/45/24/56/1389452456.db2.gz YSYMWZVGXTVFDJ-ULQDDVLXSA-N 1 3 341.927 2.876 20 30 EFEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153827 712940540 /nfs/dbraw/zinc/94/05/40/712940540.db2.gz PZPGNVVFMYAGOC-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153827 712940542 /nfs/dbraw/zinc/94/05/42/712940542.db2.gz PZPGNVVFMYAGOC-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001021092886 713563551 /nfs/dbraw/zinc/56/35/51/713563551.db2.gz UHCURHNJNKJUSD-MXVIHJGJSA-N 1 3 345.531 2.539 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980239048 717967162 /nfs/dbraw/zinc/96/71/62/717967162.db2.gz CCCWBJFCAZYLKN-ZCNNSNEGSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980239048 717967168 /nfs/dbraw/zinc/96/71/68/717967168.db2.gz CCCWBJFCAZYLKN-ZCNNSNEGSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001022588480 715237103 /nfs/dbraw/zinc/23/71/03/715237103.db2.gz JAZXEHVIMGRTTO-HLLBOEOZSA-N 1 3 339.911 2.773 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588480 715237105 /nfs/dbraw/zinc/23/71/05/715237105.db2.gz JAZXEHVIMGRTTO-HLLBOEOZSA-N 1 3 339.911 2.773 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610435 715691705 /nfs/dbraw/zinc/69/17/05/715691705.db2.gz MILDXHVTWWMPMJ-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610435 715691709 /nfs/dbraw/zinc/69/17/09/715691709.db2.gz MILDXHVTWWMPMJ-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009630468 715758534 /nfs/dbraw/zinc/75/85/34/715758534.db2.gz WJJTXNQITBIVQM-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009630468 715758536 /nfs/dbraw/zinc/75/85/36/715758536.db2.gz WJJTXNQITBIVQM-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654432 716445906 /nfs/dbraw/zinc/44/59/06/716445906.db2.gz LPTRZOTZBNLZSW-GOSISDBHSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654432 716445909 /nfs/dbraw/zinc/44/59/09/716445909.db2.gz LPTRZOTZBNLZSW-GOSISDBHSA-N 1 3 347.547 2.594 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978951554 716598676 /nfs/dbraw/zinc/59/86/76/716598676.db2.gz QBKSRVQGPXSIHU-YSTOQKLRSA-N 1 3 347.547 2.901 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978951554 716598678 /nfs/dbraw/zinc/59/86/78/716598678.db2.gz QBKSRVQGPXSIHU-YSTOQKLRSA-N 1 3 347.547 2.901 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978955547 716601428 /nfs/dbraw/zinc/60/14/28/716601428.db2.gz ZRLLVFFCAOONGR-AKHDSKFASA-N 1 3 333.520 2.511 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978955547 716601430 /nfs/dbraw/zinc/60/14/30/716601430.db2.gz ZRLLVFFCAOONGR-AKHDSKFASA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576950 716701808 /nfs/dbraw/zinc/70/18/08/716701808.db2.gz APAKATBRDYJSLI-LPHOPBHVSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576950 716701811 /nfs/dbraw/zinc/70/18/11/716701811.db2.gz APAKATBRDYJSLI-LPHOPBHVSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885586 717832481 /nfs/dbraw/zinc/83/24/81/717832481.db2.gz HKOVTUUONBSTAT-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885586 717832486 /nfs/dbraw/zinc/83/24/86/717832486.db2.gz HKOVTUUONBSTAT-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1C(C)C ZINC000304756571 724474951 /nfs/dbraw/zinc/47/49/51/724474951.db2.gz NUVAGOWMGDQAAM-MRXNPFEDSA-N 1 3 332.492 2.577 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173737 717857506 /nfs/dbraw/zinc/85/75/06/717857506.db2.gz SRDLZJCAFCEVEG-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173737 717857510 /nfs/dbraw/zinc/85/75/10/717857510.db2.gz SRDLZJCAFCEVEG-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814044 718174336 /nfs/dbraw/zinc/17/43/36/718174336.db2.gz NETXVKJXEPXAKT-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814044 718174339 /nfs/dbraw/zinc/17/43/39/718174339.db2.gz NETXVKJXEPXAKT-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)(C)C)CC1 ZINC001024812423 718175359 /nfs/dbraw/zinc/17/53/59/718175359.db2.gz OSHYOMRFWGIIDE-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001024812423 718175360 /nfs/dbraw/zinc/17/53/60/718175360.db2.gz OSHYOMRFWGIIDE-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC(CC)CC)CC1 ZINC001024812610 718175366 /nfs/dbraw/zinc/17/53/66/718175366.db2.gz PZBOJFPJNKWFLQ-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(CC)CC)CC1 ZINC001024812610 718175367 /nfs/dbraw/zinc/17/53/67/718175367.db2.gz PZBOJFPJNKWFLQ-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246774 718466903 /nfs/dbraw/zinc/46/69/03/718466903.db2.gz HCLVTXVBRWZOKY-ROUUACIJSA-N 1 3 331.504 2.646 20 30 EFEDHO C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246772 718466942 /nfs/dbraw/zinc/46/69/42/718466942.db2.gz HCLVTXVBRWZOKY-QZTJIDSGSA-N 1 3 331.504 2.646 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981270614 718583166 /nfs/dbraw/zinc/58/31/66/718583166.db2.gz JCNWQAJZGHJGAA-GJZGRUSLSA-N 1 3 327.900 2.630 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028092642 718708224 /nfs/dbraw/zinc/70/82/24/718708224.db2.gz BBDVPKIDGLNFQL-MOPGFXCFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001028092642 718708225 /nfs/dbraw/zinc/70/82/25/718708225.db2.gz BBDVPKIDGLNFQL-MOPGFXCFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028092645 718708276 /nfs/dbraw/zinc/70/82/76/718708276.db2.gz BBDVPKIDGLNFQL-RTBURBONSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001028092645 718708280 /nfs/dbraw/zinc/70/82/80/718708280.db2.gz BBDVPKIDGLNFQL-RTBURBONSA-N 1 3 333.520 2.940 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCCC3)C2)CC1 ZINC000981542237 718800280 /nfs/dbraw/zinc/80/02/80/718800280.db2.gz SOFFOFQCDHOATP-VQTJNVASSA-N 1 3 345.531 2.539 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630218 719255794 /nfs/dbraw/zinc/25/57/94/719255794.db2.gz RACLELDTBSOYGV-SJORKVTESA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630218 719255795 /nfs/dbraw/zinc/25/57/95/719255795.db2.gz RACLELDTBSOYGV-SJORKVTESA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163541 719607629 /nfs/dbraw/zinc/60/76/29/719607629.db2.gz FKURKTXERZHUCT-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982160667 719619769 /nfs/dbraw/zinc/61/97/69/719619769.db2.gz ATSABEXTJYKZOA-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982160667 719619771 /nfs/dbraw/zinc/61/97/71/719619771.db2.gz ATSABEXTJYKZOA-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292656 719822282 /nfs/dbraw/zinc/82/22/82/719822282.db2.gz SKKSRCMDVQYVIC-YSIASYRMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292656 719822289 /nfs/dbraw/zinc/82/22/89/719822289.db2.gz SKKSRCMDVQYVIC-YSIASYRMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295788 719837602 /nfs/dbraw/zinc/83/76/02/719837602.db2.gz FFVYOOWOORYZON-KDURUIRLSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295788 719837604 /nfs/dbraw/zinc/83/76/04/719837604.db2.gz FFVYOOWOORYZON-KDURUIRLSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]12 ZINC001026266316 720073855 /nfs/dbraw/zinc/07/38/55/720073855.db2.gz DTBFGECPNDEUHN-FGTMMUONSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]12 ZINC001026427870 720559810 /nfs/dbraw/zinc/55/98/10/720559810.db2.gz VHZZDRSICGNLGQ-VAMGGRTRSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCCN2CC)CC1 ZINC001026610237 720820659 /nfs/dbraw/zinc/82/06/59/720820659.db2.gz IEWZKYKSTDMMLI-UYSNPLJNSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618300 720953470 /nfs/dbraw/zinc/95/34/70/720953470.db2.gz UPBPPOVFDDBZMM-NRSPTQNISA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618300 720953474 /nfs/dbraw/zinc/95/34/74/720953474.db2.gz UPBPPOVFDDBZMM-NRSPTQNISA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831221 721303011 /nfs/dbraw/zinc/30/30/11/721303011.db2.gz JIRAOYGRQQKOOE-LFGUQSLTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831221 721303015 /nfs/dbraw/zinc/30/30/15/721303015.db2.gz JIRAOYGRQQKOOE-LFGUQSLTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831410 721304095 /nfs/dbraw/zinc/30/40/95/721304095.db2.gz KYORPRKPOZKFIV-GHSBBIOCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831410 721304099 /nfs/dbraw/zinc/30/40/99/721304099.db2.gz KYORPRKPOZKFIV-GHSBBIOCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645672 724750028 /nfs/dbraw/zinc/75/00/28/724750028.db2.gz BLGPDESOTFTUNN-LJQANCHMSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645672 724750031 /nfs/dbraw/zinc/75/00/31/724750031.db2.gz BLGPDESOTFTUNN-LJQANCHMSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757324 721393326 /nfs/dbraw/zinc/39/33/26/721393326.db2.gz HQGZZDPHPYFDLO-ROUUACIJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757324 721393334 /nfs/dbraw/zinc/39/33/34/721393334.db2.gz HQGZZDPHPYFDLO-ROUUACIJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CN1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862801 721484781 /nfs/dbraw/zinc/48/47/81/721484781.db2.gz LYEINZXIJTXGEB-IBGZPJMESA-N 1 3 343.515 2.807 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009022 725459605 /nfs/dbraw/zinc/45/96/05/725459605.db2.gz FIOLDUJAUATEAY-QWFCFKBJSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009022 725459607 /nfs/dbraw/zinc/45/96/07/725459607.db2.gz FIOLDUJAUATEAY-QWFCFKBJSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992017329 725466131 /nfs/dbraw/zinc/46/61/31/725466131.db2.gz ZNEWJOWSSNCGCC-CMKODMSKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992017329 725466132 /nfs/dbraw/zinc/46/61/32/725466132.db2.gz ZNEWJOWSSNCGCC-CMKODMSKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CCN1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992171903 725587096 /nfs/dbraw/zinc/58/70/96/725587096.db2.gz ZCYXUBPROCQXJC-FPOVZHCZSA-N 1 3 341.499 2.704 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992508319 725911662 /nfs/dbraw/zinc/91/16/62/725911662.db2.gz LUKKDBDMGFXCRN-ICSRJNTNSA-N 1 3 327.472 2.661 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992508319 725911663 /nfs/dbraw/zinc/91/16/63/725911663.db2.gz LUKKDBDMGFXCRN-ICSRJNTNSA-N 1 3 327.472 2.661 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057311 725950320 /nfs/dbraw/zinc/95/03/20/725950320.db2.gz VJWKYUNGFKSSHB-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948057311 725950322 /nfs/dbraw/zinc/95/03/22/725950322.db2.gz VJWKYUNGFKSSHB-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992926435 726342542 /nfs/dbraw/zinc/34/25/42/726342542.db2.gz OFZMULDALDYDAN-VAMGGRTRSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992926433 726342657 /nfs/dbraw/zinc/34/26/57/726342657.db2.gz OFZMULDALDYDAN-SLFFLAALSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994503350 727772822 /nfs/dbraw/zinc/77/28/22/727772822.db2.gz VHXDRASYZLPVDV-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994503350 727772824 /nfs/dbraw/zinc/77/28/24/727772824.db2.gz VHXDRASYZLPVDV-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765618 728364351 /nfs/dbraw/zinc/36/43/51/728364351.db2.gz ABEYDTXPJJBEID-LPHOPBHVSA-N 1 3 339.499 2.698 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765618 728364352 /nfs/dbraw/zinc/36/43/52/728364352.db2.gz ABEYDTXPJJBEID-LPHOPBHVSA-N 1 3 339.499 2.698 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829347 728530794 /nfs/dbraw/zinc/53/07/94/728530794.db2.gz LAAQCRIIUKUKBM-OALUTQOASA-N 1 3 333.520 2.586 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829347 728530797 /nfs/dbraw/zinc/53/07/97/728530797.db2.gz LAAQCRIIUKUKBM-OALUTQOASA-N 1 3 333.520 2.586 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070499 729474862 /nfs/dbraw/zinc/47/48/62/729474862.db2.gz PXWUQGZCFHZZAR-YLJYHZDGSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070499 729474864 /nfs/dbraw/zinc/47/48/64/729474864.db2.gz PXWUQGZCFHZZAR-YLJYHZDGSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070497 729475317 /nfs/dbraw/zinc/47/53/17/729475317.db2.gz PXWUQGZCFHZZAR-XLIONFOSSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@H](C)C2)CC1 ZINC000948070497 729475321 /nfs/dbraw/zinc/47/53/21/729475321.db2.gz PXWUQGZCFHZZAR-XLIONFOSSA-N 1 3 347.547 2.737 20 30 EFEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001574849780 1088117747 /nfs/dbraw/zinc/11/77/47/1088117747.db2.gz QUTMHMMOCFHDNW-MSOLQXFVSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849780 1088117757 /nfs/dbraw/zinc/11/77/57/1088117757.db2.gz QUTMHMMOCFHDNW-MSOLQXFVSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849780 1088117764 /nfs/dbraw/zinc/11/77/64/1088117764.db2.gz QUTMHMMOCFHDNW-MSOLQXFVSA-N 1 3 349.906 2.968 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001574902025 1088145113 /nfs/dbraw/zinc/14/51/13/1088145113.db2.gz ZDEPVUHIQVSMBJ-OALUTQOASA-N 1 3 329.488 2.793 20 30 EFEDHO Cc1cc(C#N)cc(C)c1CNCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001579554315 1090632272 /nfs/dbraw/zinc/63/22/72/1090632272.db2.gz SULKPERHEDCBHA-UHFFFAOYSA-N 1 3 348.494 2.870 20 30 EFEDHO N#CCCCC[C@H](N)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001580049132 1090754459 /nfs/dbraw/zinc/75/44/59/1090754459.db2.gz IJCYUURSAWMIMN-SFHVURJKSA-N 1 3 334.508 2.512 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454275 1093044299 /nfs/dbraw/zinc/04/42/99/1093044299.db2.gz PEZVJEXEEKZXSJ-AZUAARDMSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454275 1093044313 /nfs/dbraw/zinc/04/43/13/1093044313.db2.gz PEZVJEXEEKZXSJ-AZUAARDMSA-N 1 3 347.547 2.691 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001211620602 1094363090 /nfs/dbraw/zinc/36/30/90/1094363090.db2.gz WGJGJJXRWAIOMI-ZCNNSNEGSA-N 1 3 343.515 2.733 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001211623994 1094402132 /nfs/dbraw/zinc/40/21/32/1094402132.db2.gz YHIKHSHVMNXNEV-XUVXKRRUSA-N 1 3 343.515 2.877 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529770 1094755616 /nfs/dbraw/zinc/75/56/16/1094755616.db2.gz OMCLHRCERABJFP-HBFSDRIKSA-N 1 3 333.520 2.513 20 30 EFEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531606 1095087934 /nfs/dbraw/zinc/08/79/34/1095087934.db2.gz HQWAKLXBYUXUBO-PXNSSMCTSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203421019 1095119364 /nfs/dbraw/zinc/11/93/64/1095119364.db2.gz YSTNHPOYDSPNCW-HUUCEWRRSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001104754944 1095712287 /nfs/dbraw/zinc/71/22/87/1095712287.db2.gz KRJKRFJZXCBKNZ-RHSMWYFYSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001482224127 1098183794 /nfs/dbraw/zinc/18/37/94/1098183794.db2.gz XFUAYBZZCANXPH-MRXNPFEDSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001482224127 1098183797 /nfs/dbraw/zinc/18/37/97/1098183797.db2.gz XFUAYBZZCANXPH-MRXNPFEDSA-N 1 3 341.927 2.878 20 30 EFEDHO CCCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001482242465 1098440799 /nfs/dbraw/zinc/44/07/99/1098440799.db2.gz APCLGGZDXOYMHP-GOSISDBHSA-N 1 3 335.536 2.975 20 30 EFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676064 1099781112 /nfs/dbraw/zinc/78/11/12/1099781112.db2.gz BDLUILFMUIZUMU-RBUKOAKNSA-N 1 3 343.515 2.735 20 30 EFEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793382 1100041214 /nfs/dbraw/zinc/04/12/14/1100041214.db2.gz AUNVUWQONONZKE-CMKODMSKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793382 1100041226 /nfs/dbraw/zinc/04/12/26/1100041226.db2.gz AUNVUWQONONZKE-CMKODMSKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164773 1100487312 /nfs/dbraw/zinc/48/73/12/1100487312.db2.gz QXAAUKXUHKALNO-KFWWJZLASA-N 1 3 349.441 2.662 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602558 1100580084 /nfs/dbraw/zinc/58/00/84/1100580084.db2.gz UNMBUSDHNSYPGG-OTWHNJEPSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602558 1100580090 /nfs/dbraw/zinc/58/00/90/1100580090.db2.gz UNMBUSDHNSYPGG-OTWHNJEPSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167437981 1101737592 /nfs/dbraw/zinc/73/75/92/1101737592.db2.gz LCYBYJOGGXCNCY-HOTGVXAUSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167437981 1101737600 /nfs/dbraw/zinc/73/76/00/1101737600.db2.gz LCYBYJOGGXCNCY-HOTGVXAUSA-N 1 3 339.911 2.632 20 30 EFEDHO C=CCC[NH2+]CC1(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232533 1102098151 /nfs/dbraw/zinc/09/81/51/1102098151.db2.gz GJPXZXLMPWHERI-LJQANCHMSA-N 1 3 339.499 2.651 20 30 EFEDHO C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240333 1102125785 /nfs/dbraw/zinc/12/57/85/1102125785.db2.gz JFSZNZGGTFKAKM-KRWDZBQOSA-N 1 3 335.536 2.949 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213463 1102776131 /nfs/dbraw/zinc/77/61/31/1102776131.db2.gz KDGBGCDMLCTJKN-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213463 1102776140 /nfs/dbraw/zinc/77/61/40/1102776140.db2.gz KDGBGCDMLCTJKN-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375674 1103233029 /nfs/dbraw/zinc/23/30/29/1103233029.db2.gz NCYLVSIZRBBJJP-JKSUJKDBSA-N 1 3 329.916 2.686 20 30 EFEDHO C=CCOC(=O)N1CC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168372833 1103372904 /nfs/dbraw/zinc/37/29/04/1103372904.db2.gz LMUILCIWEKQTFJ-UHFFFAOYSA-N 1 3 347.503 2.581 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001088393324 1103401333 /nfs/dbraw/zinc/40/13/33/1103401333.db2.gz BGGOXMRFVZQZPL-QGZVFWFLSA-N 1 3 341.927 2.832 20 30 EFEDHO C=CCOC[C@@]12CCCO[C@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378562 1104118962 /nfs/dbraw/zinc/11/89/62/1104118962.db2.gz WLNVRCFEJDWTJX-SFTDATJTSA-N 1 3 348.531 2.935 20 30 EFEDHO C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447383 1104213941 /nfs/dbraw/zinc/21/39/41/1104213941.db2.gz DSZZUADTPQNQJL-TYKWCNGQSA-N 1 3 343.515 2.709 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428230 1104538208 /nfs/dbraw/zinc/53/82/08/1104538208.db2.gz XFEPWLAAQWWKMA-SJORKVTESA-N 1 3 335.536 2.948 20 30 EFEDHO C=C(C)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001672183608 1105768080 /nfs/dbraw/zinc/76/80/80/1105768080.db2.gz PMGGZKONVOIKNM-IBGZPJMESA-N 1 3 341.499 2.668 20 30 EFEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)CCC1 ZINC001105563313 1105942485 /nfs/dbraw/zinc/94/24/85/1105942485.db2.gz JRCVDIKKXUTYFQ-GOSISDBHSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302347 1106437023 /nfs/dbraw/zinc/43/70/23/1106437023.db2.gz OXSLSVHXJXCVSD-UHFFFAOYSA-N 1 3 329.488 2.814 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@H](C)CCC=C)CC2)CC1 ZINC001168308435 1106528764 /nfs/dbraw/zinc/52/87/64/1106528764.db2.gz REYHKLHKSCXCQU-GOSISDBHSA-N 1 3 345.531 2.562 20 30 EFEDHO C[NH+](C)C1CCC(N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001168326944 1106875574 /nfs/dbraw/zinc/87/55/74/1106875574.db2.gz FWBGVQWRKHIIGY-UHFFFAOYSA-N 1 3 330.451 2.692 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393363 1108333593 /nfs/dbraw/zinc/33/35/93/1108333593.db2.gz AZBRIISYRYXSPF-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040393363 1108333610 /nfs/dbraw/zinc/33/36/10/1108333610.db2.gz AZBRIISYRYXSPF-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000924722986 1108869858 /nfs/dbraw/zinc/86/98/58/1108869858.db2.gz PULOPRULXSKOBV-QGZVFWFLSA-N 1 3 328.504 2.852 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106245816 1111212884 /nfs/dbraw/zinc/21/28/84/1111212884.db2.gz DXHHXXPMDWYAJQ-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255618 1111233375 /nfs/dbraw/zinc/23/33/75/1111233375.db2.gz ASTWXLSRNZEVFT-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229253 1111564056 /nfs/dbraw/zinc/56/40/56/1111564056.db2.gz ICMLIISLKLXSAO-ZWKOTPCHSA-N 1 3 335.536 2.737 20 30 EFEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511253 1112255467 /nfs/dbraw/zinc/25/54/67/1112255467.db2.gz OYAGIMOWQAIVQB-RBUKOAKNSA-N 1 3 347.547 2.879 20 30 EFEDHO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511253 1112255470 /nfs/dbraw/zinc/25/54/70/1112255470.db2.gz OYAGIMOWQAIVQB-RBUKOAKNSA-N 1 3 347.547 2.879 20 30 EFEDHO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565630 1112318319 /nfs/dbraw/zinc/31/83/19/1112318319.db2.gz UYQKNXPUGFSHGK-GOSISDBHSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565630 1112318325 /nfs/dbraw/zinc/31/83/25/1112318325.db2.gz UYQKNXPUGFSHGK-GOSISDBHSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484830223 1117748488 /nfs/dbraw/zinc/74/84/88/1117748488.db2.gz NXYXWXZUTYISNF-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001484830223 1117748494 /nfs/dbraw/zinc/74/84/94/1117748494.db2.gz NXYXWXZUTYISNF-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821639 1117924186 /nfs/dbraw/zinc/92/41/86/1117924186.db2.gz WPGCTPSSEBXFFG-NBYUQASBSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821639 1117924190 /nfs/dbraw/zinc/92/41/90/1117924190.db2.gz WPGCTPSSEBXFFG-NBYUQASBSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCCCCC[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001272701135 1118619399 /nfs/dbraw/zinc/61/93/99/1118619399.db2.gz CTGQJOKXCUWGEV-UHFFFAOYSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCCCCCCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272710428 1118779537 /nfs/dbraw/zinc/77/95/37/1118779537.db2.gz WVRGAMSSXKXABD-FQEVSTJZSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCCCCCCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272710428 1118779544 /nfs/dbraw/zinc/77/95/44/1118779544.db2.gz WVRGAMSSXKXABD-FQEVSTJZSA-N 1 3 335.536 2.999 20 30 EFEDHO N#Cc1cccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173945161 231075833 /nfs/dbraw/zinc/07/58/33/231075833.db2.gz QGEPFEJOHISLIA-UHFFFAOYSA-N 1 3 343.471 2.514 20 30 EFEDHO C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262374514 240349096 /nfs/dbraw/zinc/34/90/96/240349096.db2.gz JFXJLKRXSVXRAW-BGVWBIDGSA-N 1 3 340.515 2.798 20 30 EFEDHO C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262374520 240349598 /nfs/dbraw/zinc/34/95/98/240349598.db2.gz JFXJLKRXSVXRAW-NWJVMNJYSA-N 1 3 340.515 2.798 20 30 EFEDHO C[NH+]=C(NC1CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262482542 240356422 /nfs/dbraw/zinc/35/64/22/240356422.db2.gz RUUMAWFNQOHFRO-FQEVSTJZSA-N 1 3 326.488 2.712 20 30 EFEDHO N#C[C@@H]1CCC[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277315 240092553 /nfs/dbraw/zinc/09/25/53/240092553.db2.gz DAAGJEBNWNBPPJ-LSTHTHJFSA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@@H]1CCC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277315 240092555 /nfs/dbraw/zinc/09/25/55/240092555.db2.gz DAAGJEBNWNBPPJ-LSTHTHJFSA-N 1 3 327.472 2.815 20 30 EFEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H](C)C1 ZINC000262018515 240342259 /nfs/dbraw/zinc/34/22/59/240342259.db2.gz WWFQOFWDPDGHRU-HUUCEWRRSA-N 1 3 346.475 2.695 20 30 EFEDHO [NH2+]=C(NC[C@@H]1CCCCS1)NC1CCN(Cc2ccccc2)CC1 ZINC000262232566 240344389 /nfs/dbraw/zinc/34/43/89/240344389.db2.gz MMFBYUIQUBJWKL-SFHVURJKSA-N 1 3 346.544 2.841 20 30 EFEDHO C(=N/OCCC[NH+]1CCCCC1)\c1ccc(N2CCOCC2)cc1 ZINC000288428221 241012154 /nfs/dbraw/zinc/01/21/54/241012154.db2.gz DCPVPSCNXVFCOT-LVZFUZTISA-N 1 3 331.460 2.750 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000297040693 241107164 /nfs/dbraw/zinc/10/71/64/241107164.db2.gz MNLUOBXLDAMIQR-XVLXNVKGSA-N 1 3 348.535 2.609 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000297040693 241107170 /nfs/dbraw/zinc/10/71/70/241107170.db2.gz MNLUOBXLDAMIQR-XVLXNVKGSA-N 1 3 348.535 2.609 20 30 EFEDHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306955 242066328 /nfs/dbraw/zinc/06/63/28/242066328.db2.gz BGZBINMCNOQKBP-AZUAARDMSA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306955 242066334 /nfs/dbraw/zinc/06/63/34/242066334.db2.gz BGZBINMCNOQKBP-AZUAARDMSA-N 1 3 325.456 2.703 20 30 EFEDHO C=CCC[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414345870 244097805 /nfs/dbraw/zinc/09/78/05/244097805.db2.gz UAMIXEXGGNKSNS-INIZCTEOSA-N 1 3 329.488 2.828 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442711192 250106563 /nfs/dbraw/zinc/10/65/63/250106563.db2.gz RPTPAWGPWUUQQV-PMACEKPBSA-N 1 3 326.488 2.606 20 30 EFEDHO N#C[C@H]1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000442778108 250116160 /nfs/dbraw/zinc/11/61/60/250116160.db2.gz JYFDFRLGGBUBFA-OALUTQOASA-N 1 3 326.488 2.871 20 30 EFEDHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000174315878 533660804 /nfs/dbraw/zinc/66/08/04/533660804.db2.gz NAHQUOVUCYVTNK-HOTGVXAUSA-N 1 3 331.460 2.546 20 30 EFEDHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1C#N ZINC000174315891 533661290 /nfs/dbraw/zinc/66/12/90/533661290.db2.gz NAHQUOVUCYVTNK-HZPDHXFCSA-N 1 3 331.460 2.546 20 30 EFEDHO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343891516 287131437 /nfs/dbraw/zinc/13/14/37/287131437.db2.gz YPIQHAQZUNKZPZ-FUHIMQAGSA-N 1 3 326.488 2.577 20 30 EFEDHO COc1cc(C#N)ccc1OCCN1CCC(CCC[NH+](C)C)CC1 ZINC000123566255 222297985 /nfs/dbraw/zinc/29/79/85/222297985.db2.gz PUHUEWVMMSFGEB-UHFFFAOYSA-N 1 3 345.487 2.999 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850136 267179284 /nfs/dbraw/zinc/17/92/84/267179284.db2.gz IOONTUKDGPXEFZ-BEVDRBHNSA-N 1 3 327.472 2.977 20 30 EFEDHO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)nc1 ZINC000271547713 268165028 /nfs/dbraw/zinc/16/50/28/268165028.db2.gz RTZQHOAOWDMVSZ-YBXZHIRMSA-N 1 3 340.471 2.860 20 30 EFEDHO CCCN1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286166008 274146208 /nfs/dbraw/zinc/14/62/08/274146208.db2.gz QDRYWWGSRNJADU-GOSISDBHSA-N 1 3 326.488 2.849 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000420984603 276149347 /nfs/dbraw/zinc/14/93/47/276149347.db2.gz TVCOJCVOCQVVDI-UHFFFAOYSA-N 1 3 343.490 2.669 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185782216 276196819 /nfs/dbraw/zinc/19/68/19/276196819.db2.gz NWNVBBBTDGFPTC-RXVVDRJESA-N 1 3 340.515 2.996 20 30 EFEDHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1COc2ccccc21 ZINC000329649052 278252764 /nfs/dbraw/zinc/25/27/64/278252764.db2.gz BSBPNNOCQYZVLO-KBXCAEBGSA-N 1 3 343.471 2.724 20 30 EFEDHO C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCC[C@@H](C)C1 ZINC000083031526 473316453 /nfs/dbraw/zinc/31/64/53/473316453.db2.gz JOMCELUAHARSOO-HLLBOEOZSA-N 1 3 330.476 2.535 20 30 EFEDHO C#CCOc1ccccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000067453080 472036049 /nfs/dbraw/zinc/03/60/49/472036049.db2.gz KARVMBVDODEKTN-QZTJIDSGSA-N 1 3 330.472 2.678 20 30 EFEDHO C#CCCOc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000076763199 472400281 /nfs/dbraw/zinc/40/02/81/472400281.db2.gz WGYWXZWJBYDSEC-IBGZPJMESA-N 1 3 342.483 2.679 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116430437 472406928 /nfs/dbraw/zinc/40/69/28/472406928.db2.gz ZHWLEUVIDMHBBV-QGZVFWFLSA-N 1 3 338.540 2.693 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776063 472608593 /nfs/dbraw/zinc/60/85/93/472608593.db2.gz CKTUSEMUSJQOFS-RTBURBONSA-N 1 3 348.535 2.565 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776063 472608598 /nfs/dbraw/zinc/60/85/98/472608598.db2.gz CKTUSEMUSJQOFS-RTBURBONSA-N 1 3 348.535 2.565 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)cc1OC ZINC000104167992 472659505 /nfs/dbraw/zinc/65/95/05/472659505.db2.gz RHIXUUCJOGBTOC-KBPBESRZSA-N 1 3 334.464 2.551 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000106265250 472836689 /nfs/dbraw/zinc/83/66/89/472836689.db2.gz FYYBQUIRGUTJFG-UHFFFAOYSA-N 1 3 336.524 2.589 20 30 EFEDHO CC[NH+](CC)CCOC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000075007383 473112127 /nfs/dbraw/zinc/11/21/27/473112127.db2.gz WVXANTNYHNXAJG-UHFFFAOYSA-N 1 3 345.487 2.760 20 30 EFEDHO C[N@@H+]1CCCC[C@@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000075110470 473127242 /nfs/dbraw/zinc/12/72/42/473127242.db2.gz CZFKXKNYKGXECZ-OAQYLSRUSA-N 1 3 340.515 2.940 20 30 EFEDHO C[N@H+]1CCCC[C@@H]1CCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000075110470 473127244 /nfs/dbraw/zinc/12/72/44/473127244.db2.gz CZFKXKNYKGXECZ-OAQYLSRUSA-N 1 3 340.515 2.940 20 30 EFEDHO Cn1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000190910661 473426441 /nfs/dbraw/zinc/42/64/41/473426441.db2.gz ZBMAFZZGHDELHY-OAHLLOKOSA-N 1 3 328.485 2.960 20 30 EFEDHO Cn1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C#N ZINC000190910661 473426450 /nfs/dbraw/zinc/42/64/50/473426450.db2.gz ZBMAFZZGHDELHY-OAHLLOKOSA-N 1 3 328.485 2.960 20 30 EFEDHO C=CCN1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000173160667 473757907 /nfs/dbraw/zinc/75/79/07/473757907.db2.gz PEZJNIAJMVHRJT-UHFFFAOYSA-N 1 3 341.455 2.875 20 30 EFEDHO C=CCN1CC[C@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938752 473890924 /nfs/dbraw/zinc/89/09/24/473890924.db2.gz IRKGRXFVIPUXFW-FQEVSTJZSA-N 1 3 341.499 2.617 20 30 EFEDHO C=CCN1CC[C@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938752 473890931 /nfs/dbraw/zinc/89/09/31/473890931.db2.gz IRKGRXFVIPUXFW-FQEVSTJZSA-N 1 3 341.499 2.617 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCCCN(C)Cc2ccccc2)cc1 ZINC000264124343 473951633 /nfs/dbraw/zinc/95/16/33/473951633.db2.gz RZOABVFVYNREHV-UHFFFAOYSA-N 1 3 326.444 2.944 20 30 EFEDHO CN(CC#Cc1cccc(Cl)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000180934175 473988563 /nfs/dbraw/zinc/98/85/63/473988563.db2.gz GJTQJJVHNZAKPK-UHFFFAOYSA-N 1 3 333.907 2.649 20 30 EFEDHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774238 474063077 /nfs/dbraw/zinc/06/30/77/474063077.db2.gz SQSHEYOAEUOYIN-DLBZAZTESA-N 1 3 343.471 2.740 20 30 EFEDHO Cc1cc(C)cc(NC(=[NH2+])NCc2ccnc(OCCN(C)C)c2)c1 ZINC000270569898 474172684 /nfs/dbraw/zinc/17/26/84/474172684.db2.gz MWLLFDCCSSBVMF-UHFFFAOYSA-N 1 3 341.459 2.566 20 30 EFEDHO Cc1ccc(NC(=[NH2+])NCc2ccnc(OCCN(C)C)c2)cc1C ZINC000270610988 474191199 /nfs/dbraw/zinc/19/11/99/474191199.db2.gz YDUDAHZHOXNPOK-UHFFFAOYSA-N 1 3 341.459 2.566 20 30 EFEDHO C#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000290384620 474569648 /nfs/dbraw/zinc/56/96/48/474569648.db2.gz OFPIAXIGUAKJCC-QFIPXVFZSA-N 1 3 334.463 2.914 20 30 EFEDHO C#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000290384620 474569654 /nfs/dbraw/zinc/56/96/54/474569654.db2.gz OFPIAXIGUAKJCC-QFIPXVFZSA-N 1 3 334.463 2.914 20 30 EFEDHO C=CCNC(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291398517 474602758 /nfs/dbraw/zinc/60/27/58/474602758.db2.gz DOONKPNLDGEGEP-SFHVURJKSA-N 1 3 341.499 2.665 20 30 EFEDHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000267246413 474626899 /nfs/dbraw/zinc/62/68/99/474626899.db2.gz YMGVWAVAZJWQOZ-UHFFFAOYSA-N 1 3 329.469 2.892 20 30 EFEDHO C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000280403619 475024748 /nfs/dbraw/zinc/02/47/48/475024748.db2.gz VWCQXIBTSXJNRG-QFBILLFUSA-N 1 3 338.455 2.621 20 30 EFEDHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459422 475026019 /nfs/dbraw/zinc/02/60/19/475026019.db2.gz SFPDSAYHECDTCC-RBUKOAKNSA-N 1 3 338.455 2.573 20 30 EFEDHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459422 475026027 /nfs/dbraw/zinc/02/60/27/475026027.db2.gz SFPDSAYHECDTCC-RBUKOAKNSA-N 1 3 338.455 2.573 20 30 EFEDHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459419 475026151 /nfs/dbraw/zinc/02/61/51/475026151.db2.gz SFPDSAYHECDTCC-MOPGFXCFSA-N 1 3 338.455 2.573 20 30 EFEDHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280459419 475026160 /nfs/dbraw/zinc/02/61/60/475026160.db2.gz SFPDSAYHECDTCC-MOPGFXCFSA-N 1 3 338.455 2.573 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000337460266 475038918 /nfs/dbraw/zinc/03/89/18/475038918.db2.gz ZMMBBRTUSRWPLX-CEXWTWQISA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000337460266 475038921 /nfs/dbraw/zinc/03/89/21/475038921.db2.gz ZMMBBRTUSRWPLX-CEXWTWQISA-N 1 3 348.535 2.611 20 30 EFEDHO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCCC1 ZINC000285769147 475041087 /nfs/dbraw/zinc/04/10/87/475041087.db2.gz SQYICWOXRNBWST-KRWDZBQOSA-N 1 3 326.488 2.849 20 30 EFEDHO CC[NH+](CC)CCOCCN(CCOCCC#N)Cc1ccccc1 ZINC000294628940 475077031 /nfs/dbraw/zinc/07/70/31/475077031.db2.gz PETXJUFSBFSXFF-UHFFFAOYSA-N 1 3 347.503 2.777 20 30 EFEDHO C#CCN(C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000294944078 475093113 /nfs/dbraw/zinc/09/31/13/475093113.db2.gz IDABWRLNCPQFMR-MZADTFQBSA-N 1 3 325.500 2.727 20 30 EFEDHO C#CCN(C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000294944083 475093444 /nfs/dbraw/zinc/09/34/44/475093444.db2.gz IDABWRLNCPQFMR-WKCHPHFGSA-N 1 3 325.500 2.727 20 30 EFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)CNC2)C(C)C ZINC000347552116 475323759 /nfs/dbraw/zinc/32/37/59/475323759.db2.gz LBAQOWOQCAPWSN-IBGZPJMESA-N 1 3 327.472 2.718 20 30 EFEDHO CC1(C)CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000352542293 475395055 /nfs/dbraw/zinc/39/50/55/475395055.db2.gz LTGRPISHLWJQJZ-INIZCTEOSA-N 1 3 338.455 2.666 20 30 EFEDHO CC1(C)CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)[NH2+]1 ZINC000352542294 475396699 /nfs/dbraw/zinc/39/66/99/475396699.db2.gz LTGRPISHLWJQJZ-MRXNPFEDSA-N 1 3 338.455 2.666 20 30 EFEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000348113001 475400227 /nfs/dbraw/zinc/40/02/27/475400227.db2.gz GQBKZGHTVZWWJR-JTDSTZFVSA-N 1 3 338.455 2.620 20 30 EFEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000348113001 475400233 /nfs/dbraw/zinc/40/02/33/475400233.db2.gz GQBKZGHTVZWWJR-JTDSTZFVSA-N 1 3 338.455 2.620 20 30 EFEDHO C=CCN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358794398 475944187 /nfs/dbraw/zinc/94/41/87/475944187.db2.gz HGQPAHHCXWLHTC-KRWDZBQOSA-N 1 3 336.524 2.591 20 30 EFEDHO C=CCN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358794398 475944194 /nfs/dbraw/zinc/94/41/94/475944194.db2.gz HGQPAHHCXWLHTC-KRWDZBQOSA-N 1 3 336.524 2.591 20 30 EFEDHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000355464151 475959422 /nfs/dbraw/zinc/95/94/22/475959422.db2.gz UMJJBHUZHZLSDY-UHFFFAOYSA-N 1 3 328.460 2.691 20 30 EFEDHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000359998180 476280389 /nfs/dbraw/zinc/28/03/89/476280389.db2.gz WATCXMTUGLKQGR-UHFFFAOYSA-N 1 3 337.471 2.732 20 30 EFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000360838621 476420300 /nfs/dbraw/zinc/42/03/00/476420300.db2.gz UZDUFMVNMKVHPY-FQEVSTJZSA-N 1 3 327.472 2.762 20 30 EFEDHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000351488734 476473902 /nfs/dbraw/zinc/47/39/02/476473902.db2.gz AURRKARKMVVFLD-LPHOPBHVSA-N 1 3 338.455 2.621 20 30 EFEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224392 476516209 /nfs/dbraw/zinc/51/62/09/476516209.db2.gz NXNYPAUROOKXKD-DOTOQJQBSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000354224392 476516211 /nfs/dbraw/zinc/51/62/11/476516211.db2.gz NXNYPAUROOKXKD-DOTOQJQBSA-N 1 3 328.460 2.691 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@@H]3CN)C2)c(F)c1 ZINC000422972901 476871926 /nfs/dbraw/zinc/87/19/26/476871926.db2.gz AVUJIUMBPKSWDX-RYRKJORJSA-N 1 3 330.451 2.773 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H](N[C@H]3CCCC[C@@H]3C[NH3+])C2)c(F)c1 ZINC000422972901 476871929 /nfs/dbraw/zinc/87/19/29/476871929.db2.gz AVUJIUMBPKSWDX-RYRKJORJSA-N 1 3 330.451 2.773 20 30 EFEDHO CCOC(=O)C1([C@H](C)N[C@@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999544 476886686 /nfs/dbraw/zinc/88/66/86/476886686.db2.gz SPKRJHUTJRFDSK-WMZOPIPTSA-N 1 3 343.471 2.942 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415122269 476907939 /nfs/dbraw/zinc/90/79/39/476907939.db2.gz JRXARCUTZJBMTE-UYAOXDASSA-N 1 3 330.472 2.970 20 30 EFEDHO C=CCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708525 476945531 /nfs/dbraw/zinc/94/55/31/476945531.db2.gz QBGPLKUDJBJPFD-NQIIRXRSSA-N 1 3 343.515 2.709 20 30 EFEDHO C=CCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708525 476945539 /nfs/dbraw/zinc/94/55/39/476945539.db2.gz QBGPLKUDJBJPFD-NQIIRXRSSA-N 1 3 343.515 2.709 20 30 EFEDHO CN(CCC(=O)Nc1sccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375767536 476995963 /nfs/dbraw/zinc/99/59/63/476995963.db2.gz FZLXJBBDKDKQFR-YIONKMFJSA-N 1 3 332.473 2.505 20 30 EFEDHO CN(CCC(=O)Nc1sccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375767536 476995971 /nfs/dbraw/zinc/99/59/71/476995971.db2.gz FZLXJBBDKDKQFR-YIONKMFJSA-N 1 3 332.473 2.505 20 30 EFEDHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423389064 477013980 /nfs/dbraw/zinc/01/39/80/477013980.db2.gz NHKISXCEENNJFR-LJQANCHMSA-N 1 3 326.488 2.895 20 30 EFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150412 477310521 /nfs/dbraw/zinc/31/05/21/477310521.db2.gz YNOSXVSNKNYOPS-QRQLOZEOSA-N 1 3 342.487 2.519 20 30 EFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150412 477310527 /nfs/dbraw/zinc/31/05/27/477310527.db2.gz YNOSXVSNKNYOPS-QRQLOZEOSA-N 1 3 342.487 2.519 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417539749 477455880 /nfs/dbraw/zinc/45/58/80/477455880.db2.gz ONAHZBXMPIGXIL-PKOBYXMFSA-N 1 3 348.535 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417541900 477456274 /nfs/dbraw/zinc/45/62/74/477456274.db2.gz SDAQDWYCHJEZFT-UHFFFAOYSA-N 1 3 336.524 2.639 20 30 EFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000420981209 477875624 /nfs/dbraw/zinc/87/56/24/477875624.db2.gz MTPGUUZUBQIWGR-UHFFFAOYSA-N 1 3 340.515 2.745 20 30 EFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000420981209 477875631 /nfs/dbraw/zinc/87/56/31/477875631.db2.gz MTPGUUZUBQIWGR-UHFFFAOYSA-N 1 3 340.515 2.745 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000420983319 477876047 /nfs/dbraw/zinc/87/60/47/477876047.db2.gz QLMALSPXCDZDII-UHFFFAOYSA-N 1 3 344.478 2.689 20 30 EFEDHO CC(C)(C)[N@@H+]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527162784 478415676 /nfs/dbraw/zinc/41/56/76/478415676.db2.gz JXYKEEAKZXIBIA-SFHVURJKSA-N 1 3 338.455 2.573 20 30 EFEDHO CC(C)(C)[N@H+]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000527162784 478415682 /nfs/dbraw/zinc/41/56/82/478415682.db2.gz JXYKEEAKZXIBIA-SFHVURJKSA-N 1 3 338.455 2.573 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000563205450 478480063 /nfs/dbraw/zinc/48/00/63/478480063.db2.gz GFIIWLJYKCJVSO-FUHWJXTLSA-N 1 3 334.508 2.511 20 30 EFEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000563205450 478480076 /nfs/dbraw/zinc/48/00/76/478480076.db2.gz GFIIWLJYKCJVSO-FUHWJXTLSA-N 1 3 334.508 2.511 20 30 EFEDHO C#CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000491475429 478558600 /nfs/dbraw/zinc/55/86/00/478558600.db2.gz WSFRUIJRCIQYIK-UHFFFAOYSA-N 1 3 345.531 2.587 20 30 EFEDHO N#Cc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CNC4)CC2)cc1 ZINC000591578275 478586145 /nfs/dbraw/zinc/58/61/45/478586145.db2.gz KLBGZKGWRSUQNM-UHFFFAOYSA-N 1 3 332.451 2.920 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598543244 478888007 /nfs/dbraw/zinc/88/80/07/478888007.db2.gz UJJPABLWXKMCET-FQEVSTJZSA-N 1 3 339.483 2.997 20 30 EFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000601967076 479099457 /nfs/dbraw/zinc/09/94/57/479099457.db2.gz HRUKNLIEXHEVQL-BHIYHBOVSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC(C)(C)C#N ZINC000601967076 479099461 /nfs/dbraw/zinc/09/94/61/479099461.db2.gz HRUKNLIEXHEVQL-BHIYHBOVSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC(C)(C)C#N ZINC000601967076 479099468 /nfs/dbraw/zinc/09/94/68/479099468.db2.gz HRUKNLIEXHEVQL-BHIYHBOVSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)cc1F ZINC000602020145 479141681 /nfs/dbraw/zinc/14/16/81/479141681.db2.gz JDDMSVKRIDERTQ-CYBMUJFWSA-N 1 3 325.391 2.675 20 30 EFEDHO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000602022055 479143828 /nfs/dbraw/zinc/14/38/28/479143828.db2.gz SRRKLCXOEPKOCI-LJQANCHMSA-N 1 3 333.439 2.852 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)c1 ZINC000593324588 479295892 /nfs/dbraw/zinc/29/58/92/479295892.db2.gz XUULFBARZJGICY-AZUAARDMSA-N 1 3 326.488 2.630 20 30 EFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1OCC[NH+](C)C ZINC000602525965 479381640 /nfs/dbraw/zinc/38/16/40/479381640.db2.gz UNHHHERWJJDJIL-KRWDZBQOSA-N 1 3 345.487 2.816 20 30 EFEDHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000602694800 479480583 /nfs/dbraw/zinc/48/05/83/479480583.db2.gz JWWCGTLYMVDDGB-IBGZPJMESA-N 1 3 327.472 2.761 20 30 EFEDHO N#CCCC[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593918353 479508074 /nfs/dbraw/zinc/50/80/74/479508074.db2.gz VTVTYLGJQWYLIH-KRWDZBQOSA-N 1 3 346.500 2.834 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593918354 479508660 /nfs/dbraw/zinc/50/86/60/479508660.db2.gz VTVTYLGJQWYLIH-QGZVFWFLSA-N 1 3 346.500 2.834 20 30 EFEDHO N#Cc1cccc(OCCCN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602846496 479590125 /nfs/dbraw/zinc/59/01/25/479590125.db2.gz QPGXAXYYAFCIPX-UHFFFAOYSA-N 1 3 336.439 2.934 20 30 EFEDHO C=CCC[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641759881 481055388 /nfs/dbraw/zinc/05/53/88/481055388.db2.gz JYDOVROUTDLPEF-GOSISDBHSA-N 1 3 331.504 2.634 20 30 EFEDHO C=C(CC)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000358497827 534379966 /nfs/dbraw/zinc/37/99/66/534379966.db2.gz LEASTWOXZRIAGA-UHFFFAOYSA-N 1 3 343.515 2.913 20 30 EFEDHO C=CCc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000357050177 534413889 /nfs/dbraw/zinc/41/38/89/534413889.db2.gz LVOMKBAGMCNCHV-GOSISDBHSA-N 1 3 330.472 2.951 20 30 EFEDHO C#CCOc1ccc([C@@H](C)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000159102685 527114466 /nfs/dbraw/zinc/11/44/66/527114466.db2.gz JSRLNHLPTWSHKP-QGZVFWFLSA-N 1 3 330.472 2.850 20 30 EFEDHO CCN(CC)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181386745 528112653 /nfs/dbraw/zinc/11/26/53/528112653.db2.gz QSBGRXJEJINKFN-UHFFFAOYSA-N 1 3 328.504 2.844 20 30 EFEDHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)CCCC#N)c2)CC1 ZINC000424150981 535281248 /nfs/dbraw/zinc/28/12/48/535281248.db2.gz GWQQFXKAVLPLSF-IBGZPJMESA-N 1 3 342.487 2.556 20 30 EFEDHO CCN(CC)C(=[NH2+])NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000264068303 535388280 /nfs/dbraw/zinc/38/82/80/535388280.db2.gz CDTQKCUZMSSQAB-UHFFFAOYSA-N 1 3 345.535 2.554 20 30 EFEDHO CN(C)CCOc1ccc(CC[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000344112388 535903505 /nfs/dbraw/zinc/90/35/05/535903505.db2.gz IUSFMIDCNCSPDJ-UHFFFAOYSA-N 1 3 329.469 2.892 20 30 EFEDHO CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104732288 1249443420 /nfs/dbraw/zinc/44/34/20/1249443420.db2.gz RQJSRKIGPXLJRZ-IAGOWNOFSA-N 1 3 334.508 2.997 20 30 EFEDHO C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098820240 1255817616 /nfs/dbraw/zinc/81/76/16/1255817616.db2.gz HBPKKRDGEUCTJG-UYAOXDASSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439304 1255823885 /nfs/dbraw/zinc/82/38/85/1255823885.db2.gz VGVCXSWOYGGREP-WSTZPKSXSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439304 1255823897 /nfs/dbraw/zinc/82/38/97/1255823897.db2.gz VGVCXSWOYGGREP-WSTZPKSXSA-N 1 3 333.520 2.654 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997386127 1257560441 /nfs/dbraw/zinc/56/04/41/1257560441.db2.gz JRQQESQEZDYPAA-UYAOXDASSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997386127 1257560446 /nfs/dbraw/zinc/56/04/46/1257560446.db2.gz JRQQESQEZDYPAA-UYAOXDASSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997433780 1257578781 /nfs/dbraw/zinc/57/87/81/1257578781.db2.gz JKJBAKPNJSKNFV-QGZVFWFLSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCC(=C)C)CC2)CC1 ZINC000997433415 1257578819 /nfs/dbraw/zinc/57/88/19/1257578819.db2.gz GVKPQCNMZMXKAV-GOSISDBHSA-N 1 3 345.531 2.515 20 30 EFEDHO C=CC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997874845 1258557670 /nfs/dbraw/zinc/55/76/70/1258557670.db2.gz SNRHJHZLIQQFPT-INIZCTEOSA-N 1 3 329.488 2.765 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998006318 1258936081 /nfs/dbraw/zinc/93/60/81/1258936081.db2.gz RRDVMSRUJDLPTE-RBUKOAKNSA-N 1 3 333.520 2.586 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998006318 1258936085 /nfs/dbraw/zinc/93/60/85/1258936085.db2.gz RRDVMSRUJDLPTE-RBUKOAKNSA-N 1 3 333.520 2.586 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000708530664 1259763902 /nfs/dbraw/zinc/76/39/02/1259763902.db2.gz UPBKKVIABGURSH-WTNAPCKOSA-N 1 3 349.478 2.949 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000708530664 1259763904 /nfs/dbraw/zinc/76/39/04/1259763904.db2.gz UPBKKVIABGURSH-WTNAPCKOSA-N 1 3 349.478 2.949 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998901548 1260072449 /nfs/dbraw/zinc/07/24/49/1260072449.db2.gz MXGKBFUCNUFUOI-HWOWSKLDSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998901548 1260072454 /nfs/dbraw/zinc/07/24/54/1260072454.db2.gz MXGKBFUCNUFUOI-HWOWSKLDSA-N 1 3 327.900 2.581 20 30 EFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540072 1260404519 /nfs/dbraw/zinc/40/45/19/1260404519.db2.gz DQFNSABSBWBGGA-NSHGMRRFSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684895 1260426254 /nfs/dbraw/zinc/42/62/54/1260426254.db2.gz YDBNNHLBNCAYTO-OALUTQOASA-N 1 3 327.472 2.613 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000999871650 1260961899 /nfs/dbraw/zinc/96/18/99/1260961899.db2.gz WYBJROCJMKBKSO-UHFFFAOYSA-N 1 3 335.879 2.693 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001486201162 1262785288 /nfs/dbraw/zinc/78/52/88/1262785288.db2.gz QYLCKQAIALBNRZ-HZPDHXFCSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701887 1264246241 /nfs/dbraw/zinc/24/62/41/1264246241.db2.gz WTDDQTDFNKAQGF-CEXWTWQISA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701887 1264246247 /nfs/dbraw/zinc/24/62/47/1264246247.db2.gz WTDDQTDFNKAQGF-CEXWTWQISA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852379 1264532538 /nfs/dbraw/zinc/53/25/38/1264532538.db2.gz WMIFYQZEZBGZLS-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852379 1264532542 /nfs/dbraw/zinc/53/25/42/1264532542.db2.gz WMIFYQZEZBGZLS-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849909 1264536629 /nfs/dbraw/zinc/53/66/29/1264536629.db2.gz ZIFXBXDCAAGFHU-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849909 1264536636 /nfs/dbraw/zinc/53/66/36/1264536636.db2.gz ZIFXBXDCAAGFHU-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084957947 1264765113 /nfs/dbraw/zinc/76/51/13/1264765113.db2.gz FZFIBYDZGQGGFS-RLLQIKCJSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084957947 1264765119 /nfs/dbraw/zinc/76/51/19/1264765119.db2.gz FZFIBYDZGQGGFS-RLLQIKCJSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997985 1264875716 /nfs/dbraw/zinc/87/57/16/1264875716.db2.gz LOAAAYYQCCIPRY-YZGWKJHDSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997985 1264875726 /nfs/dbraw/zinc/87/57/26/1264875726.db2.gz LOAAAYYQCCIPRY-YZGWKJHDSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049563 1265026584 /nfs/dbraw/zinc/02/65/84/1265026584.db2.gz KQAFQDZFTBFGDK-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049563 1265026593 /nfs/dbraw/zinc/02/65/93/1265026593.db2.gz KQAFQDZFTBFGDK-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072588 1265076912 /nfs/dbraw/zinc/07/69/12/1265076912.db2.gz IKSAATKDYQGBER-AQNXPRMDSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3CCCC)C[C@@H]21 ZINC001085072588 1265076920 /nfs/dbraw/zinc/07/69/20/1265076920.db2.gz IKSAATKDYQGBER-AQNXPRMDSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592708 1266587199 /nfs/dbraw/zinc/58/71/99/1266587199.db2.gz VHEUZQNMSRKYSK-KDURUIRLSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592708 1266587203 /nfs/dbraw/zinc/58/72/03/1266587203.db2.gz VHEUZQNMSRKYSK-KDURUIRLSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004377023 1266824015 /nfs/dbraw/zinc/82/40/15/1266824015.db2.gz XTOXGOSLLGVJTL-OALUTQOASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004377023 1266824028 /nfs/dbraw/zinc/82/40/28/1266824028.db2.gz XTOXGOSLLGVJTL-OALUTQOASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547020 1267268066 /nfs/dbraw/zinc/26/80/66/1267268066.db2.gz KOXWBAHRKYCJJL-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547020 1267268075 /nfs/dbraw/zinc/26/80/75/1267268075.db2.gz KOXWBAHRKYCJJL-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617152 1267410325 /nfs/dbraw/zinc/41/03/25/1267410325.db2.gz PBNULOVFSGEWOO-KRWDZBQOSA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617152 1267410329 /nfs/dbraw/zinc/41/03/29/1267410329.db2.gz PBNULOVFSGEWOO-KRWDZBQOSA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779098 1268505987 /nfs/dbraw/zinc/50/59/87/1268505987.db2.gz GHIRZRBQKFDUBO-QRVBRYPASA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779098 1268505997 /nfs/dbraw/zinc/50/59/97/1268505997.db2.gz GHIRZRBQKFDUBO-QRVBRYPASA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001086225692 1270568592 /nfs/dbraw/zinc/56/85/92/1270568592.db2.gz GFWNWMIIFPUAJQ-WOVMCDHWSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001086278227 1270803734 /nfs/dbraw/zinc/80/37/34/1270803734.db2.gz MUZMJGISFIEHPS-WOVMCDHWSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045825 1270956718 /nfs/dbraw/zinc/95/67/18/1270956718.db2.gz NKEFDANPQZWQNL-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210130 1271363297 /nfs/dbraw/zinc/36/32/97/1271363297.db2.gz FTGBHQRSBJSJRF-ZWKOTPCHSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210130 1271363303 /nfs/dbraw/zinc/36/33/03/1271363303.db2.gz FTGBHQRSBJSJRF-ZWKOTPCHSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001086478770 1271697998 /nfs/dbraw/zinc/69/79/98/1271697998.db2.gz ZGWWZUDWKCJXIB-SAABIXHNSA-N 1 3 349.906 2.641 20 30 EFEDHO C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034366639 1271787163 /nfs/dbraw/zinc/78/71/63/1271787163.db2.gz BZKVCJGBRKOVEN-AZUAARDMSA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034366639 1271787169 /nfs/dbraw/zinc/78/71/69/1271787169.db2.gz BZKVCJGBRKOVEN-AZUAARDMSA-N 1 3 345.531 2.778 20 30 EFEDHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)N(C)C ZINC001411216475 1272030017 /nfs/dbraw/zinc/03/00/17/1272030017.db2.gz LMQYGLUKOWNGOU-ZWKOTPCHSA-N 1 3 344.503 2.519 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001034538223 1272241082 /nfs/dbraw/zinc/24/10/82/1272241082.db2.gz JMNXSVWAGMENMA-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC(CC)CC)C2)CC1 ZINC001034538223 1272241088 /nfs/dbraw/zinc/24/10/88/1272241088.db2.gz JMNXSVWAGMENMA-HXUWFJFHSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542916 1272255484 /nfs/dbraw/zinc/25/54/84/1272255484.db2.gz XTPJWCOOTUFGFS-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542916 1272255492 /nfs/dbraw/zinc/25/54/92/1272255492.db2.gz XTPJWCOOTUFGFS-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108785448 1273471446 /nfs/dbraw/zinc/47/14/46/1273471446.db2.gz FNDIFABRSZXPDK-FHWLQOOXSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035197444 1273761564 /nfs/dbraw/zinc/76/15/64/1273761564.db2.gz XFGGYNKYAKVFRR-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035197444 1273761569 /nfs/dbraw/zinc/76/15/69/1273761569.db2.gz XFGGYNKYAKVFRR-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035259854 1273953549 /nfs/dbraw/zinc/95/35/49/1273953549.db2.gz GUMBYYUSKJCHSZ-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035259854 1273953561 /nfs/dbraw/zinc/95/35/61/1273953561.db2.gz GUMBYYUSKJCHSZ-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035259855 1273956117 /nfs/dbraw/zinc/95/61/17/1273956117.db2.gz GUMBYYUSKJCHSZ-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035259855 1273956123 /nfs/dbraw/zinc/95/61/23/1273956123.db2.gz GUMBYYUSKJCHSZ-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741676 1274434649 /nfs/dbraw/zinc/43/46/49/1274434649.db2.gz QLIYAJKLJACNKP-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741676 1274434651 /nfs/dbraw/zinc/43/46/51/1274434651.db2.gz QLIYAJKLJACNKP-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773294 1274497830 /nfs/dbraw/zinc/49/78/30/1274497830.db2.gz VTFSOOVLROHLOW-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773294 1274497836 /nfs/dbraw/zinc/49/78/36/1274497836.db2.gz VTFSOOVLROHLOW-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035817199 1274511153 /nfs/dbraw/zinc/51/11/53/1274511153.db2.gz BMVJTWCDWRNASP-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036304874 1275388500 /nfs/dbraw/zinc/38/85/00/1275388500.db2.gz RINWGCOXARFSHI-KSSFIOAISA-N 1 3 349.906 2.941 20 30 EFEDHO N#CCOc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919993 1276378560 /nfs/dbraw/zinc/37/85/60/1276378560.db2.gz YCLIZKMDQCXFNS-CTNGQTDRSA-N 1 3 349.434 2.934 20 30 EFEDHO C=CCC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005988965 1277307562 /nfs/dbraw/zinc/30/75/62/1277307562.db2.gz ZBQHIKTWEXSRST-LJQANCHMSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001091068230 1279505380 /nfs/dbraw/zinc/50/53/80/1279505380.db2.gz GAZFDHMUWWDXRM-VMBOVVBDSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068230 1279505388 /nfs/dbraw/zinc/50/53/88/1279505388.db2.gz GAZFDHMUWWDXRM-VMBOVVBDSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203249696 1280833077 /nfs/dbraw/zinc/83/30/77/1280833077.db2.gz NZYNKGVGJXRIRU-DLBZAZTESA-N 1 3 333.520 2.844 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584821 1280940676 /nfs/dbraw/zinc/94/06/76/1280940676.db2.gz VFSJAAVGGVVYEN-MSOLQXFVSA-N 1 3 345.531 2.705 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613635 1280952545 /nfs/dbraw/zinc/95/25/45/1280952545.db2.gz ULZKVJKLFJUTST-SJORKVTESA-N 1 3 335.536 2.641 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724644 1281247991 /nfs/dbraw/zinc/24/79/91/1281247991.db2.gz LOSLFXOSXNTHEF-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724644 1281247998 /nfs/dbraw/zinc/24/79/98/1281247998.db2.gz LOSLFXOSXNTHEF-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666568 1281317798 /nfs/dbraw/zinc/31/77/98/1281317798.db2.gz BYHNPVLIFMBOJT-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666568 1281317807 /nfs/dbraw/zinc/31/78/07/1281317807.db2.gz BYHNPVLIFMBOJT-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666566 1281318316 /nfs/dbraw/zinc/31/83/16/1281318316.db2.gz BYHNPVLIFMBOJT-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666566 1281318323 /nfs/dbraw/zinc/31/83/23/1281318323.db2.gz BYHNPVLIFMBOJT-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285416 1281494983 /nfs/dbraw/zinc/49/49/83/1281494983.db2.gz RACLUCUDAWXKEL-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285416 1281494985 /nfs/dbraw/zinc/49/49/85/1281494985.db2.gz RACLUCUDAWXKEL-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921487 1281931713 /nfs/dbraw/zinc/93/17/13/1281931713.db2.gz QQSUHXNFVDKWCQ-RTBURBONSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921487 1281931723 /nfs/dbraw/zinc/93/17/23/1281931723.db2.gz QQSUHXNFVDKWCQ-RTBURBONSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921484 1281932705 /nfs/dbraw/zinc/93/27/05/1281932705.db2.gz QQSUHXNFVDKWCQ-MOPGFXCFSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921484 1281932713 /nfs/dbraw/zinc/93/27/13/1281932713.db2.gz QQSUHXNFVDKWCQ-MOPGFXCFSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926767 1281948382 /nfs/dbraw/zinc/94/83/82/1281948382.db2.gz JIGHEFKHFSJRHH-OALUTQOASA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926767 1281948387 /nfs/dbraw/zinc/94/83/87/1281948387.db2.gz JIGHEFKHFSJRHH-OALUTQOASA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941169 1281968262 /nfs/dbraw/zinc/96/82/62/1281968262.db2.gz LGNDCZNCPTZSKM-GOSISDBHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942108 1281971893 /nfs/dbraw/zinc/97/18/93/1281971893.db2.gz JBDXLBAVVYKYJG-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942392 1281972494 /nfs/dbraw/zinc/97/24/94/1281972494.db2.gz PQUBENDNOBEBQI-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943251 1281975173 /nfs/dbraw/zinc/97/51/73/1281975173.db2.gz PJSLTDRVDMFJQE-MSOLQXFVSA-N 1 3 335.536 2.996 20 30 EFEDHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001175766839 1287546905 /nfs/dbraw/zinc/54/69/05/1287546905.db2.gz AZGYIRXAKJPCNT-KRWDZBQOSA-N 1 3 344.503 2.665 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071282 1282369570 /nfs/dbraw/zinc/36/95/70/1282369570.db2.gz OFNMYQBRUCXFAL-SBHAEUEKSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071282 1282369571 /nfs/dbraw/zinc/36/95/71/1282369571.db2.gz OFNMYQBRUCXFAL-SBHAEUEKSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092297312 1282546442 /nfs/dbraw/zinc/54/64/42/1282546442.db2.gz TXPLKHULCSIIOE-CTNGQTDRSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092297312 1282546451 /nfs/dbraw/zinc/54/64/51/1282546451.db2.gz TXPLKHULCSIIOE-CTNGQTDRSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025054 1283166099 /nfs/dbraw/zinc/16/60/99/1283166099.db2.gz OUVBPZJOHMKEFN-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025054 1283166101 /nfs/dbraw/zinc/16/61/01/1283166101.db2.gz OUVBPZJOHMKEFN-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093370912 1283806072 /nfs/dbraw/zinc/80/60/72/1283806072.db2.gz GYWZKUAUIPSRPI-SFHVURJKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093370912 1283806081 /nfs/dbraw/zinc/80/60/81/1283806081.db2.gz GYWZKUAUIPSRPI-SFHVURJKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371194 1283806475 /nfs/dbraw/zinc/80/64/75/1283806475.db2.gz LUUGOMDEGHQJFQ-MOPGFXCFSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371194 1283806485 /nfs/dbraw/zinc/80/64/85/1283806485.db2.gz LUUGOMDEGHQJFQ-MOPGFXCFSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093376551 1283825592 /nfs/dbraw/zinc/82/55/92/1283825592.db2.gz ADFGISJSJUWFPG-FXAWDEMLSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093376551 1283825595 /nfs/dbraw/zinc/82/55/95/1283825595.db2.gz ADFGISJSJUWFPG-FXAWDEMLSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093376563 1283827106 /nfs/dbraw/zinc/82/71/06/1283827106.db2.gz ADFGISJSJUWFPG-YLJYHZDGSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093376563 1283827117 /nfs/dbraw/zinc/82/71/17/1283827117.db2.gz ADFGISJSJUWFPG-YLJYHZDGSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379793 1283840709 /nfs/dbraw/zinc/84/07/09/1283840709.db2.gz JJTQMTDBPYYFJO-LJQANCHMSA-N 1 3 342.487 2.621 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379793 1283840720 /nfs/dbraw/zinc/84/07/20/1283840720.db2.gz JJTQMTDBPYYFJO-LJQANCHMSA-N 1 3 342.487 2.621 20 30 EFEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132832494 1284361940 /nfs/dbraw/zinc/36/19/40/1284361940.db2.gz XNZXUXANBXZSOI-MSOLQXFVSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133120806 1284830416 /nfs/dbraw/zinc/83/04/16/1284830416.db2.gz BHDWQDRPFDBMOV-HOCLYGCPSA-N 1 3 343.943 2.791 20 30 EFEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135712 1284850051 /nfs/dbraw/zinc/85/00/51/1284850051.db2.gz VTOVGLFIPGSHMU-SJORKVTESA-N 1 3 334.508 2.997 20 30 EFEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133185670 1284952098 /nfs/dbraw/zinc/95/20/98/1284952098.db2.gz HBFQPCBMEPYFDZ-RTBURBONSA-N 1 3 335.536 2.596 20 30 EFEDHO C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)C(C)C ZINC001133410397 1285369756 /nfs/dbraw/zinc/36/97/56/1285369756.db2.gz CSPYZHXHUNWLJR-UHFFFAOYSA-N 1 3 349.906 2.622 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)C(C)C ZINC001133410699 1285372437 /nfs/dbraw/zinc/37/24/37/1285372437.db2.gz VXUSFXAXPVQTBQ-UHFFFAOYSA-N 1 3 337.895 2.784 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902615 1285382310 /nfs/dbraw/zinc/38/23/10/1285382310.db2.gz NAUKXXXOKZTSEQ-PMACEKPBSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902615 1285382323 /nfs/dbraw/zinc/38/23/23/1285382323.db2.gz NAUKXXXOKZTSEQ-PMACEKPBSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902618 1285382908 /nfs/dbraw/zinc/38/29/08/1285382908.db2.gz NAUKXXXOKZTSEQ-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902618 1285382917 /nfs/dbraw/zinc/38/29/17/1285382917.db2.gz NAUKXXXOKZTSEQ-WOJBJXKFSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036903101 1285384236 /nfs/dbraw/zinc/38/42/36/1285384236.db2.gz VOPCOCFVGGXIQZ-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036903101 1285384246 /nfs/dbraw/zinc/38/42/46/1285384246.db2.gz VOPCOCFVGGXIQZ-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036903099 1285384793 /nfs/dbraw/zinc/38/47/93/1285384793.db2.gz VOPCOCFVGGXIQZ-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036903099 1285384803 /nfs/dbraw/zinc/38/48/03/1285384803.db2.gz VOPCOCFVGGXIQZ-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO C[C@@H]1C[C@H](N2CCC3SC(=O)C=C3C2)C[N@@H+]1Cc1ccccc1 ZINC001171747806 1285760108 /nfs/dbraw/zinc/76/01/08/1285760108.db2.gz BNQKTJNHSQRUIQ-FHLIZLRMSA-N 1 3 328.481 2.924 20 30 EFEDHO C[C@@H]1C[C@H](N2CCC3SC(=O)C=C3C2)C[N@H+]1Cc1ccccc1 ZINC001171747806 1285760114 /nfs/dbraw/zinc/76/01/14/1285760114.db2.gz BNQKTJNHSQRUIQ-FHLIZLRMSA-N 1 3 328.481 2.924 20 30 EFEDHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H](C)CCCC#N)CC2)C1 ZINC001172497145 1286172352 /nfs/dbraw/zinc/17/23/52/1286172352.db2.gz YSZBFFWVKLNDOB-IRXDYDNUSA-N 1 3 335.492 2.808 20 30 EFEDHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H](C)CCCC#N)CC2)C1 ZINC001172497145 1286172358 /nfs/dbraw/zinc/17/23/58/1286172358.db2.gz YSZBFFWVKLNDOB-IRXDYDNUSA-N 1 3 335.492 2.808 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086716639 1286281145 /nfs/dbraw/zinc/28/11/45/1286281145.db2.gz KGHOZHHDTWDKIF-YESZJQIVSA-N 1 3 341.927 2.591 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716639 1286281149 /nfs/dbraw/zinc/28/11/49/1286281149.db2.gz KGHOZHHDTWDKIF-YESZJQIVSA-N 1 3 341.927 2.591 20 30 EFEDHO C[NH+](C)CCC(C)(C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976940 1286363597 /nfs/dbraw/zinc/36/35/97/1286363597.db2.gz XQAOCRJPCHMYOX-GJZGRUSLSA-N 1 3 338.496 2.598 20 30 EFEDHO CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2C[NH3+])C[C@H]1C#N ZINC001172981709 1286365267 /nfs/dbraw/zinc/36/52/67/1286365267.db2.gz NTVLKADNFQYBRJ-SJORKVTESA-N 1 3 344.459 2.527 20 30 EFEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095061308 1286470971 /nfs/dbraw/zinc/47/09/71/1286470971.db2.gz SZCAGYIGTQMMPW-UHOSZYNNSA-N 1 3 327.472 2.517 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773690 1287171277 /nfs/dbraw/zinc/17/12/77/1287171277.db2.gz QLKQSZXOTSNQSV-HZPDHXFCSA-N 1 3 344.503 2.661 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001134773692 1287171364 /nfs/dbraw/zinc/17/13/64/1287171364.db2.gz QLKQSZXOTSNQSV-JKSUJKDBSA-N 1 3 344.503 2.661 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774255 1287171903 /nfs/dbraw/zinc/17/19/03/1287171903.db2.gz WWPJSWQRVWOBFT-CVEARBPZSA-N 1 3 344.503 2.661 20 30 EFEDHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176284774 1287923601 /nfs/dbraw/zinc/92/36/01/1287923601.db2.gz KASNGEHGKVWSKG-KRWDZBQOSA-N 1 3 344.503 2.665 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C/CC)CC1 ZINC001176737058 1288087469 /nfs/dbraw/zinc/08/74/69/1288087469.db2.gz GMBYKEAEKLQFDK-GHOSXJJBSA-N 1 3 347.547 2.953 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001165728395 1312671402 /nfs/dbraw/zinc/67/14/02/1312671402.db2.gz QRMVMVQSQJXSLX-HZPDHXFCSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728395 1312671404 /nfs/dbraw/zinc/67/14/04/1312671404.db2.gz QRMVMVQSQJXSLX-HZPDHXFCSA-N 1 3 339.911 2.632 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)N(C)C ZINC001177341732 1288400485 /nfs/dbraw/zinc/40/04/85/1288400485.db2.gz BHOHOUPWYREGDO-IBGZPJMESA-N 1 3 335.536 2.594 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001177408499 1288420524 /nfs/dbraw/zinc/42/05/24/1288420524.db2.gz BHOHOUPWYREGDO-LJQANCHMSA-N 1 3 335.536 2.594 20 30 EFEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177415548 1288423770 /nfs/dbraw/zinc/42/37/70/1288423770.db2.gz BWOOHZQGBPBXFQ-SFHVURJKSA-N 1 3 335.536 2.903 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001177484592 1288445857 /nfs/dbraw/zinc/44/58/57/1288445857.db2.gz GPUBFYKKGMTEFT-RTBURBONSA-N 1 3 347.547 2.881 20 30 EFEDHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001178816189 1288946159 /nfs/dbraw/zinc/94/61/59/1288946159.db2.gz WAYMKDXPEDWJOT-LJQANCHMSA-N 1 3 344.503 2.665 20 30 EFEDHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001179991832 1289356810 /nfs/dbraw/zinc/35/68/10/1289356810.db2.gz AUEBZORZDXUOIL-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001179991832 1289356821 /nfs/dbraw/zinc/35/68/21/1289356821.db2.gz AUEBZORZDXUOIL-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCC(=C)C)CC1 ZINC001180360281 1289495084 /nfs/dbraw/zinc/49/50/84/1289495084.db2.gz BQIOYNSVEGBQRR-UHFFFAOYSA-N 1 3 333.520 2.564 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001181442115 1289808698 /nfs/dbraw/zinc/80/86/98/1289808698.db2.gz XUWIGFWOWSUGEI-QWFCFKBJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001204302336 1289899527 /nfs/dbraw/zinc/89/95/27/1289899527.db2.gz IATSIJBNCPTBAU-UHFFFAOYSA-N 1 3 343.515 2.711 20 30 EFEDHO C=CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185741059 1290754351 /nfs/dbraw/zinc/75/43/51/1290754351.db2.gz GUWCVZHROBSIRL-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC000957568619 1291780208 /nfs/dbraw/zinc/78/02/08/1291780208.db2.gz NFXQZFQZEVOENV-GOSISDBHSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)CC2)CC1 ZINC000957626123 1291911905 /nfs/dbraw/zinc/91/19/05/1291911905.db2.gz FPEKDHMYNGZEAV-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479049 1312908303 /nfs/dbraw/zinc/90/83/03/1312908303.db2.gz XHONWSADRQKUNU-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479049 1312908305 /nfs/dbraw/zinc/90/83/05/1312908305.db2.gz XHONWSADRQKUNU-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513948 1312949286 /nfs/dbraw/zinc/94/92/86/1312949286.db2.gz XWWAFOCUNKIGHS-IAGOWNOFSA-N 1 3 345.512 2.512 20 30 EFEDHO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513948 1312949289 /nfs/dbraw/zinc/94/92/89/1312949289.db2.gz XWWAFOCUNKIGHS-IAGOWNOFSA-N 1 3 345.512 2.512 20 30 EFEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226702 1293560425 /nfs/dbraw/zinc/56/04/25/1293560425.db2.gz FGMCUJMCHTWNAS-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226702 1293560427 /nfs/dbraw/zinc/56/04/27/1293560427.db2.gz FGMCUJMCHTWNAS-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245973 1293568470 /nfs/dbraw/zinc/56/84/70/1293568470.db2.gz HUVAGHHXKZWAQQ-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245973 1293568471 /nfs/dbraw/zinc/56/84/71/1293568471.db2.gz HUVAGHHXKZWAQQ-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016861009 1313015307 /nfs/dbraw/zinc/01/53/07/1313015307.db2.gz MJFPZOJOMWMCJN-ROUUACIJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158167 1294470450 /nfs/dbraw/zinc/47/04/50/1294470450.db2.gz JXXKVIZDQBIXGX-IBGZPJMESA-N 1 3 339.499 2.699 20 30 EFEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158167 1294470454 /nfs/dbraw/zinc/47/04/54/1294470454.db2.gz JXXKVIZDQBIXGX-IBGZPJMESA-N 1 3 339.499 2.699 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc2cc(OC)ccc2c1 ZINC000303791176 1294582986 /nfs/dbraw/zinc/58/29/86/1294582986.db2.gz XCMSGHHCQCJKCU-SFHVURJKSA-N 1 3 340.471 2.737 20 30 EFEDHO COc1cccc(NC(=[NH2+])NCCCN(C)Cc2ccccc2)c1 ZINC000303792462 1294583327 /nfs/dbraw/zinc/58/33/27/1294583327.db2.gz YNXRIRYYAYMVAY-UHFFFAOYSA-N 1 3 326.444 2.944 20 30 EFEDHO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000303881117 1294596284 /nfs/dbraw/zinc/59/62/84/1294596284.db2.gz KQSIBAOXMKCHDD-DLBZAZTESA-N 1 3 345.535 2.810 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1OC ZINC000303898714 1294599678 /nfs/dbraw/zinc/59/96/78/1294599678.db2.gz VQOYFMBXCIMDSS-IFXJQAMLSA-N 1 3 348.491 2.941 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615563 1313089248 /nfs/dbraw/zinc/08/92/48/1313089248.db2.gz LKZSVLCILFZCQK-XUVXKRRUSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615563 1313089251 /nfs/dbraw/zinc/08/92/51/1313089251.db2.gz LKZSVLCILFZCQK-XUVXKRRUSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615587 1313089748 /nfs/dbraw/zinc/08/97/48/1313089748.db2.gz LVBHONLXDKCDFK-OTWHNJEPSA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615587 1313089752 /nfs/dbraw/zinc/08/97/52/1313089752.db2.gz LVBHONLXDKCDFK-OTWHNJEPSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1OC ZINC001198759962 1295236695 /nfs/dbraw/zinc/23/66/95/1295236695.db2.gz NZPVRZQBPKXPAH-QGZVFWFLSA-N 1 3 345.487 2.503 20 30 EFEDHO C=CCC[NH2+][C@H](CNC(=O)CN(C)C1CCC1)c1ccccc1OC ZINC001198759975 1295237371 /nfs/dbraw/zinc/23/73/71/1295237371.db2.gz OFJILMOQRPPJTH-GOSISDBHSA-N 1 3 345.487 2.503 20 30 EFEDHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(F)c(C#N)c3)(C1)CCC2 ZINC001276242286 1296672675 /nfs/dbraw/zinc/67/26/75/1296672675.db2.gz JJMADHDNQODSCU-VQTJNVASSA-N 1 3 344.478 2.784 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000960270675 1296678933 /nfs/dbraw/zinc/67/89/33/1296678933.db2.gz HWLMHMGAPYWRRF-MISYRCLQSA-N 1 3 341.499 2.522 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960270675 1296678946 /nfs/dbraw/zinc/67/89/46/1296678946.db2.gz HWLMHMGAPYWRRF-MISYRCLQSA-N 1 3 341.499 2.522 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205445886 1313290371 /nfs/dbraw/zinc/29/03/71/1313290371.db2.gz PCKVQONFMKBOBF-RBUKOAKNSA-N 1 3 347.478 2.628 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000960334504 1296758520 /nfs/dbraw/zinc/75/85/20/1296758520.db2.gz RMFJOPIFYHJNAA-NHCUHLMSSA-N 1 3 349.478 2.920 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000960333766 1296758856 /nfs/dbraw/zinc/75/88/56/1296758856.db2.gz MDXNGYCSBHJRJB-NHCUHLMSSA-N 1 3 349.478 2.920 20 30 EFEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789040 1313302676 /nfs/dbraw/zinc/30/26/76/1313302676.db2.gz UYNDZQKGWYTGRZ-OALUTQOASA-N 1 3 327.472 2.613 20 30 EFEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCCO1 ZINC001201411038 1296783587 /nfs/dbraw/zinc/78/35/87/1296783587.db2.gz NDOPRWBAWIIGRS-ROUUACIJSA-N 1 3 341.540 2.504 20 30 EFEDHO CN(C)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428174 1313318853 /nfs/dbraw/zinc/31/88/53/1313318853.db2.gz PGQRFWPMKSPSOI-HZPDHXFCSA-N 1 3 344.478 2.975 20 30 EFEDHO C#CCOc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)cc1OC ZINC001235701940 1313380154 /nfs/dbraw/zinc/38/01/54/1313380154.db2.gz OTZJIAINROCPOK-UHFFFAOYSA-N 1 3 342.483 2.919 20 30 EFEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274247 1313429466 /nfs/dbraw/zinc/42/94/66/1313429466.db2.gz FWUJRVDECKOICH-SFHVURJKSA-N 1 3 335.536 2.903 20 30 EFEDHO C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287587 1313432282 /nfs/dbraw/zinc/43/22/82/1313432282.db2.gz FGKJHMJBUHRMRR-KRWDZBQOSA-N 1 3 335.536 2.901 20 30 EFEDHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236076558 1313438507 /nfs/dbraw/zinc/43/85/07/1313438507.db2.gz BOARYJZUZZHPLL-HSZRJFAPSA-N 1 3 345.490 2.694 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017655802 1313457675 /nfs/dbraw/zinc/45/76/75/1313457675.db2.gz KSTCLFBWLWBTCO-HDICACEKSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961184741 1298267253 /nfs/dbraw/zinc/26/72/53/1298267253.db2.gz OEPUKUDTZHAHDG-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961184741 1298267266 /nfs/dbraw/zinc/26/72/66/1298267266.db2.gz OEPUKUDTZHAHDG-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188629 1298273049 /nfs/dbraw/zinc/27/30/49/1298273049.db2.gz VVZRZVCWLZZMND-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188629 1298273057 /nfs/dbraw/zinc/27/30/57/1298273057.db2.gz VVZRZVCWLZZMND-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230169 1298373614 /nfs/dbraw/zinc/37/36/14/1298373614.db2.gz KPDZTPLTQAFKIB-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230169 1298373627 /nfs/dbraw/zinc/37/36/27/1298373627.db2.gz KPDZTPLTQAFKIB-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259618 1298431149 /nfs/dbraw/zinc/43/11/49/1298431149.db2.gz ISFUWHYTDIBVRU-WOJBJXKFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259618 1298431155 /nfs/dbraw/zinc/43/11/55/1298431155.db2.gz ISFUWHYTDIBVRU-WOJBJXKFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961372909 1298635286 /nfs/dbraw/zinc/63/52/86/1298635286.db2.gz FABTYHWPJJKRQP-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961372909 1298635299 /nfs/dbraw/zinc/63/52/99/1298635299.db2.gz FABTYHWPJJKRQP-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961404134 1298697200 /nfs/dbraw/zinc/69/72/00/1298697200.db2.gz XNZMUJYKAXSIGW-WOJBJXKFSA-N 1 3 347.547 2.547 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961404134 1298697208 /nfs/dbraw/zinc/69/72/08/1298697208.db2.gz XNZMUJYKAXSIGW-WOJBJXKFSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961406996 1298702237 /nfs/dbraw/zinc/70/22/37/1298702237.db2.gz UKCJDJZZYXMSMP-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961406996 1298702248 /nfs/dbraw/zinc/70/22/48/1298702248.db2.gz UKCJDJZZYXMSMP-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412631 1298708375 /nfs/dbraw/zinc/70/83/75/1298708375.db2.gz UCPHZSAGVCOZFE-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961412631 1298708386 /nfs/dbraw/zinc/70/83/86/1298708386.db2.gz UCPHZSAGVCOZFE-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC=C)C2)CC1 ZINC001490458393 1298935563 /nfs/dbraw/zinc/93/55/63/1298935563.db2.gz OTCDWCMFWXXIQU-FQEVSTJZSA-N 1 3 345.531 2.659 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCC=C)C2)CC1 ZINC001490458393 1298935580 /nfs/dbraw/zinc/93/55/80/1298935580.db2.gz 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C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486135 1304008893 /nfs/dbraw/zinc/00/88/93/1304008893.db2.gz CKMLQLNIIFGMOL-GDBMZVCRSA-N 1 3 335.517 2.826 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486135 1304008900 /nfs/dbraw/zinc/00/89/00/1304008900.db2.gz CKMLQLNIIFGMOL-GDBMZVCRSA-N 1 3 335.517 2.826 20 30 EFEDHO CN1CCC(Oc2ccnc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2)CC1 ZINC001240346156 1314022858 /nfs/dbraw/zinc/02/28/58/1314022858.db2.gz FQKDNPRZEMDNCC-UHFFFAOYSA-N 1 3 348.450 2.780 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425220 1304978644 /nfs/dbraw/zinc/97/86/44/1304978644.db2.gz YOPMAZXWBFWMCE-PXNSSMCTSA-N 1 3 343.515 2.807 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681096 1306562921 /nfs/dbraw/zinc/56/29/21/1306562921.db2.gz GRTNYVYBJUKNDI-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681096 1306562927 /nfs/dbraw/zinc/56/29/27/1306562927.db2.gz GRTNYVYBJUKNDI-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887863 1306761234 /nfs/dbraw/zinc/76/12/34/1306761234.db2.gz NZPRWNGKMXDYBL-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968887863 1306761238 /nfs/dbraw/zinc/76/12/38/1306761238.db2.gz NZPRWNGKMXDYBL-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209640407 1314206473 /nfs/dbraw/zinc/20/64/73/1314206473.db2.gz BXXFSUACQFIEPF-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045942465 1307954158 /nfs/dbraw/zinc/95/41/58/1307954158.db2.gz YBKAMRIFOSZTKM-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045942465 1307954163 /nfs/dbraw/zinc/95/41/63/1307954163.db2.gz YBKAMRIFOSZTKM-CTNGQTDRSA-N 1 3 345.531 2.589 20 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ZINC001045965047 1308018015 /nfs/dbraw/zinc/01/80/15/1308018015.db2.gz BRONPGHNGMABIL-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965467 1308018298 /nfs/dbraw/zinc/01/82/98/1308018298.db2.gz UMFABIQPQPQDFC-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965467 1308018304 /nfs/dbraw/zinc/01/83/04/1308018304.db2.gz UMFABIQPQPQDFC-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319509 1308536964 /nfs/dbraw/zinc/53/69/64/1308536964.db2.gz SZKRGCFDNMSOAB-FXAWDEMLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319509 1308536966 /nfs/dbraw/zinc/53/69/66/1308536966.db2.gz SZKRGCFDNMSOAB-FXAWDEMLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619692 1308940692 /nfs/dbraw/zinc/94/06/92/1308940692.db2.gz 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C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244668 1310401290 /nfs/dbraw/zinc/40/12/90/1310401290.db2.gz UIMJHWGPXNHSGX-WOJBJXKFSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244665 1310402002 /nfs/dbraw/zinc/40/20/02/1310402002.db2.gz UIMJHWGPXNHSGX-PMACEKPBSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001047254430 1310425844 /nfs/dbraw/zinc/42/58/44/1310425844.db2.gz PKTAEDHOEQDXER-IBGZPJMESA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047256382 1310430690 /nfs/dbraw/zinc/43/06/90/1310430690.db2.gz JXLSHYCXLZGQEW-OALUTQOASA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047256813 1310432470 /nfs/dbraw/zinc/43/24/70/1310432470.db2.gz OCSGCAXJMLLAOZ-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259236 1310439107 /nfs/dbraw/zinc/43/91/07/1310439107.db2.gz MUELMFOSFAHWIZ-GOSISDBHSA-N 1 3 344.503 2.869 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001047266216 1310460596 /nfs/dbraw/zinc/46/05/96/1310460596.db2.gz TUCWCMIHYDVHSR-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730439 1311020375 /nfs/dbraw/zinc/02/03/75/1311020375.db2.gz HSGIEJKKAMUSIX-RCCFBDPRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730439 1311020379 /nfs/dbraw/zinc/02/03/79/1311020379.db2.gz HSGIEJKKAMUSIX-RCCFBDPRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN(C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001158724020 1311373789 /nfs/dbraw/zinc/37/37/89/1311373789.db2.gz VHZTZUNYKXOKJZ-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH+]1CCC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224560593 1311407647 /nfs/dbraw/zinc/40/76/47/1311407647.db2.gz WMJGPBMVOKRIHF-IBGZPJMESA-N 1 3 339.499 2.603 20 30 EFEDHO N#Cc1ccc(CNc2cccc(N3CCC([NH3+])CC3)n2)cc1F ZINC001159087189 1311448157 /nfs/dbraw/zinc/44/81/57/1311448157.db2.gz WEDZGLPHDXXWFW-UHFFFAOYSA-N 1 3 325.391 2.632 20 30 EFEDHO C=CCCCCCCN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277160706 1311733369 /nfs/dbraw/zinc/73/33/69/1311733369.db2.gz VRCAPCZNJPAGJY-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227704411 1311842096 /nfs/dbraw/zinc/84/20/96/1311842096.db2.gz YLTAYFSSWSHQDJ-GUDVDZBRSA-N 1 3 333.520 2.844 20 30 EFEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527787 1311863880 /nfs/dbraw/zinc/86/38/80/1311863880.db2.gz UOVPUDBYNVUWQY-RDGPPVDQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527787 1311863884 /nfs/dbraw/zinc/86/38/84/1311863884.db2.gz UOVPUDBYNVUWQY-RDGPPVDQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1CN(C)C)C2 ZINC001048590640 1311941987 /nfs/dbraw/zinc/94/19/87/1311941987.db2.gz SVNCWVFCBDIEBV-GGPHIMKMSA-N 1 3 341.499 2.907 20 30 EFEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1CN(C)C)C2 ZINC001048590640 1311941991 /nfs/dbraw/zinc/94/19/91/1311941991.db2.gz SVNCWVFCBDIEBV-GGPHIMKMSA-N 1 3 341.499 2.907 20 30 EFEDHO C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952332 1312011524 /nfs/dbraw/zinc/01/15/24/1312011524.db2.gz GPAILPUFEAJGJT-IBGZPJMESA-N 1 3 333.520 2.965 20 30 EFEDHO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952332 1312011527 /nfs/dbraw/zinc/01/15/27/1312011527.db2.gz GPAILPUFEAJGJT-IBGZPJMESA-N 1 3 333.520 2.965 20 30 EFEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)(C)C1 ZINC001162934610 1312206870 /nfs/dbraw/zinc/20/68/70/1312206870.db2.gz FYTSIJNNILDXRC-UHFFFAOYSA-N 1 3 343.515 2.565 20 30 EFEDHO C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946568 1312208621 /nfs/dbraw/zinc/20/86/21/1312208621.db2.gz LYBWXFJLMMPBHS-UHFFFAOYSA-N 1 3 340.471 2.579 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCCCC)CC1 ZINC001230251789 1312210841 /nfs/dbraw/zinc/21/08/41/1312210841.db2.gz JOLJMJLXTZBGIU-WOJBJXKFSA-N 1 3 347.547 2.929 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001230286842 1312216103 /nfs/dbraw/zinc/21/61/03/1312216103.db2.gz UAMIWJYCVSYKDS-BRWVUGGUSA-N 1 3 341.927 2.876 20 30 EFEDHO C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162987665 1312219623 /nfs/dbraw/zinc/21/96/23/1312219623.db2.gz SVTRKHGQGRUKHK-UHFFFAOYSA-N 1 3 345.531 2.955 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCCCCCC)CC2)CC1 ZINC001230355036 1312228013 /nfs/dbraw/zinc/22/80/13/1312228013.db2.gz QMCKKIIALLBMTI-UHFFFAOYSA-N 1 3 347.547 2.883 20 30 EFEDHO CCN(CC)CCNC(=[NH2+])Nc1ncccc1C#C[Si](C)(C)C ZINC001163128624 1312246677 /nfs/dbraw/zinc/24/66/77/1312246677.db2.gz NQJAOKHLPSAFOX-UHFFFAOYSA-N 1 3 331.540 2.589 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230574909 1312270652 /nfs/dbraw/zinc/27/06/52/1312270652.db2.gz IPBLUYCOBVQJAN-SFHVURJKSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230574909 1312270656 /nfs/dbraw/zinc/27/06/56/1312270656.db2.gz IPBLUYCOBVQJAN-SFHVURJKSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610635 1312281967 /nfs/dbraw/zinc/28/19/67/1312281967.db2.gz FPYMELNDSLMVKR-QGZVFWFLSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610635 1312281971 /nfs/dbraw/zinc/28/19/71/1312281971.db2.gz FPYMELNDSLMVKR-QGZVFWFLSA-N 1 3 341.927 2.784 20 30 EFEDHO N=C(Nc1ccc(N2CC[NH2+]CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC001163679701 1312362520 /nfs/dbraw/zinc/36/25/20/1312362520.db2.gz FDKNCUVBJYQIKW-UHFFFAOYSA-N 1 3 349.360 2.547 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211240442 1314461935 /nfs/dbraw/zinc/46/19/35/1314461935.db2.gz LNMVHDDUTHIYFT-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211291603 1314470337 /nfs/dbraw/zinc/47/03/37/1314470337.db2.gz ALESMUFFAJIHCW-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211291603 1314470339 /nfs/dbraw/zinc/47/03/39/1314470339.db2.gz ALESMUFFAJIHCW-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027828 1314598077 /nfs/dbraw/zinc/59/80/77/1314598077.db2.gz HRTZISNJLYXZFQ-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027828 1314598080 /nfs/dbraw/zinc/59/80/80/1314598080.db2.gz HRTZISNJLYXZFQ-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028344 1314599252 /nfs/dbraw/zinc/59/92/52/1314599252.db2.gz LEVFQFPPFZEBMQ-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028344 1314599256 /nfs/dbraw/zinc/59/92/56/1314599256.db2.gz LEVFQFPPFZEBMQ-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC001246527131 1314642063 /nfs/dbraw/zinc/64/20/63/1314642063.db2.gz SJMVDCRGZWWMSX-IAGOWNOFSA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)C1 ZINC001246527131 1314642067 /nfs/dbraw/zinc/64/20/67/1314642067.db2.gz SJMVDCRGZWWMSX-IAGOWNOFSA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@@H]3CC[NH2+][C@H](C(C)C)C3)C2)C1 ZINC001246551999 1314646929 /nfs/dbraw/zinc/64/69/29/1314646929.db2.gz UBUVYUZRMXIQDN-WSTZPKSXSA-N 1 3 349.519 2.874 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215539953 1314847820 /nfs/dbraw/zinc/84/78/20/1314847820.db2.gz FFIKMWQFXOISNB-MDZRGWNJSA-N 1 3 339.499 2.602 20 30 EFEDHO CC(C)[NH+]1CCC(CN(C)Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249107273 1315019541 /nfs/dbraw/zinc/01/95/41/1315019541.db2.gz UICIGRMJILCMTB-UHFFFAOYSA-N 1 3 325.460 2.758 20 30 EFEDHO C[C@H]([NH3+])c1cccc(C(=O)Nc2sc3c(c2C#N)CCNC3)c1 ZINC001218553789 1315215091 /nfs/dbraw/zinc/21/50/91/1315215091.db2.gz ROEXWVVOCGYFHP-JTQLQIEISA-N 1 3 326.425 2.537 20 30 EFEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC001218996771 1315270736 /nfs/dbraw/zinc/27/07/36/1315270736.db2.gz OEOOVMWGUQVDEN-PKOBYXMFSA-N 1 3 334.423 2.664 20 30 EFEDHO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H](N)CCC[NH3+] ZINC001219482883 1315317338 /nfs/dbraw/zinc/31/73/38/1315317338.db2.gz LRRAPKVFQWMDBV-CQSZACIVSA-N 1 3 337.927 2.574 20 30 EFEDHO C=CCCCCC[C@H](N)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219532628 1315321003 /nfs/dbraw/zinc/32/10/03/1315321003.db2.gz BKHJUOGKHWLKPM-GRDNDAEWSA-N 1 3 329.444 2.537 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129236 1315337060 /nfs/dbraw/zinc/33/70/60/1315337060.db2.gz MYRODSLPEVPJRV-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129236 1315337064 /nfs/dbraw/zinc/33/70/64/1315337064.db2.gz MYRODSLPEVPJRV-AZUAARDMSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128910 1315337777 /nfs/dbraw/zinc/33/77/77/1315337777.db2.gz GMWKEPKWLSDQBV-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128910 1315337779 /nfs/dbraw/zinc/33/77/79/1315337779.db2.gz GMWKEPKWLSDQBV-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128911 1315337795 /nfs/dbraw/zinc/33/77/95/1315337795.db2.gz GMWKEPKWLSDQBV-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128911 1315337799 /nfs/dbraw/zinc/33/77/99/1315337799.db2.gz GMWKEPKWLSDQBV-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144589 1315362747 /nfs/dbraw/zinc/36/27/47/1315362747.db2.gz AAIFWAWEBGYUCZ-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144589 1315362750 /nfs/dbraw/zinc/36/27/50/1315362750.db2.gz AAIFWAWEBGYUCZ-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144587 1315363068 /nfs/dbraw/zinc/36/30/68/1315363068.db2.gz AAIFWAWEBGYUCZ-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144587 1315363073 /nfs/dbraw/zinc/36/30/73/1315363073.db2.gz AAIFWAWEBGYUCZ-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144588 1315363127 /nfs/dbraw/zinc/36/31/27/1315363127.db2.gz AAIFWAWEBGYUCZ-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144588 1315363130 /nfs/dbraw/zinc/36/31/30/1315363130.db2.gz AAIFWAWEBGYUCZ-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174234 1315409736 /nfs/dbraw/zinc/40/97/36/1315409736.db2.gz KOCYHRYVZSDRCA-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174234 1315409741 /nfs/dbraw/zinc/40/97/41/1315409741.db2.gz KOCYHRYVZSDRCA-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO CCCCCCCC[C@@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001252134141 1315417874 /nfs/dbraw/zinc/41/78/74/1315417874.db2.gz NPTSSNJYFTWWME-LJQANCHMSA-N 1 3 327.557 2.714 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197344 1315440921 /nfs/dbraw/zinc/44/09/21/1315440921.db2.gz WJUWNCLFCJRGKW-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197344 1315440925 /nfs/dbraw/zinc/44/09/25/1315440925.db2.gz WJUWNCLFCJRGKW-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197796 1315442165 /nfs/dbraw/zinc/44/21/65/1315442165.db2.gz ISFWJCHAJTUHSN-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054197796 1315442167 /nfs/dbraw/zinc/44/21/67/1315442167.db2.gz ISFWJCHAJTUHSN-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCN1CCC[C@H]1CNC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001220868269 1315458667 /nfs/dbraw/zinc/45/86/67/1315458667.db2.gz FTBHUILWZFPWTE-FQEVSTJZSA-N 1 3 341.499 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039128328 1315509548 /nfs/dbraw/zinc/50/95/48/1315509548.db2.gz WKYXVBXYJFAGJC-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039128328 1315509552 /nfs/dbraw/zinc/50/95/52/1315509552.db2.gz WKYXVBXYJFAGJC-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243632 1315512776 /nfs/dbraw/zinc/51/27/76/1315512776.db2.gz KLLIVYJRZPZFBM-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243632 1315512779 /nfs/dbraw/zinc/51/27/79/1315512779.db2.gz KLLIVYJRZPZFBM-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134472 1315517840 /nfs/dbraw/zinc/51/78/40/1315517840.db2.gz QKNZPFVOEMOHEP-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134472 1315517844 /nfs/dbraw/zinc/51/78/44/1315517844.db2.gz QKNZPFVOEMOHEP-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134710 1315519473 /nfs/dbraw/zinc/51/94/73/1315519473.db2.gz UNPKJGUQIBOGGU-WOJBJXKFSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134710 1315519477 /nfs/dbraw/zinc/51/94/77/1315519477.db2.gz UNPKJGUQIBOGGU-WOJBJXKFSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159103 1315554942 /nfs/dbraw/zinc/55/49/42/1315554942.db2.gz CTIZRTMGKARFON-LJQANCHMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159103 1315554948 /nfs/dbraw/zinc/55/49/48/1315554948.db2.gz CTIZRTMGKARFON-LJQANCHMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163587 1315561484 /nfs/dbraw/zinc/56/14/84/1315561484.db2.gz CWOFCVAGJFURRY-UYAOXDASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163587 1315561489 /nfs/dbraw/zinc/56/14/89/1315561489.db2.gz CWOFCVAGJFURRY-UYAOXDASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165064 1315563960 /nfs/dbraw/zinc/56/39/60/1315563960.db2.gz NIISCAYSUAYGSG-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165064 1315563962 /nfs/dbraw/zinc/56/39/62/1315563962.db2.gz NIISCAYSUAYGSG-MJGOQNOKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213460 1315629834 /nfs/dbraw/zinc/62/98/34/1315629834.db2.gz KDGBGCDMLCTJKN-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213460 1315629835 /nfs/dbraw/zinc/62/98/35/1315629835.db2.gz KDGBGCDMLCTJKN-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214744 1315631707 /nfs/dbraw/zinc/63/17/07/1315631707.db2.gz QAVJONSSJCMNQG-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214744 1315631709 /nfs/dbraw/zinc/63/17/09/1315631709.db2.gz QAVJONSSJCMNQG-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214742 1315631895 /nfs/dbraw/zinc/63/18/95/1315631895.db2.gz QAVJONSSJCMNQG-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214742 1315631897 /nfs/dbraw/zinc/63/18/97/1315631897.db2.gz QAVJONSSJCMNQG-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO CC1(C#N)CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254040449 1315668355 /nfs/dbraw/zinc/66/83/55/1315668355.db2.gz UFELEXBNEQTCEI-UHFFFAOYSA-N 1 3 327.472 2.639 20 30 EFEDHO C#CC1([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCCCC1 ZINC001254055724 1315669596 /nfs/dbraw/zinc/66/95/96/1315669596.db2.gz ZRXGIJWVBRJCON-UHFFFAOYSA-N 1 3 326.484 2.939 20 30 EFEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014118 1316110299 /nfs/dbraw/zinc/11/02/99/1316110299.db2.gz CJOXUBICOOJFDK-VQTJNVASSA-N 1 3 336.520 2.933 20 30 EFEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014118 1316110300 /nfs/dbraw/zinc/11/03/00/1316110300.db2.gz CJOXUBICOOJFDK-VQTJNVASSA-N 1 3 336.520 2.933 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207371 1316143307 /nfs/dbraw/zinc/14/33/07/1316143307.db2.gz FGJKBTDZTOMSNX-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040242516 1316161903 /nfs/dbraw/zinc/16/19/03/1316161903.db2.gz YQFUDPCOASZIGG-AZUAARDMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040242516 1316161905 /nfs/dbraw/zinc/16/19/05/1316161905.db2.gz YQFUDPCOASZIGG-AZUAARDMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCN1C(=O)CCC[C@]12CCCN(C1CC[NH+](CCC)CC1)C2 ZINC001258772799 1316176329 /nfs/dbraw/zinc/17/63/29/1316176329.db2.gz YMMYRQZRRDUWHX-HXUWFJFHSA-N 1 3 333.520 2.894 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396108 1316241846 /nfs/dbraw/zinc/24/18/46/1316241846.db2.gz SBIKUEQPNNWSNY-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396108 1316241850 /nfs/dbraw/zinc/24/18/50/1316241850.db2.gz SBIKUEQPNNWSNY-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040432993 1316262948 /nfs/dbraw/zinc/26/29/48/1316262948.db2.gz QVKICAIDKCMJTM-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040432993 1316262950 /nfs/dbraw/zinc/26/29/50/1316262950.db2.gz QVKICAIDKCMJTM-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464490 1316280325 /nfs/dbraw/zinc/28/03/25/1316280325.db2.gz NFVRFYAYAFZVKT-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464490 1316280328 /nfs/dbraw/zinc/28/03/28/1316280328.db2.gz NFVRFYAYAFZVKT-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845969 1316731911 /nfs/dbraw/zinc/73/19/11/1316731911.db2.gz UJCINGFWJOIURU-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845969 1316731913 /nfs/dbraw/zinc/73/19/13/1316731913.db2.gz UJCINGFWJOIURU-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062760 1316852671 /nfs/dbraw/zinc/85/26/71/1316852671.db2.gz OPPSJOKOMUDXAF-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062760 1316852673 /nfs/dbraw/zinc/85/26/73/1316852673.db2.gz OPPSJOKOMUDXAF-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062759 1316852866 /nfs/dbraw/zinc/85/28/66/1316852866.db2.gz OPPSJOKOMUDXAF-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062759 1316852869 /nfs/dbraw/zinc/85/28/69/1316852869.db2.gz OPPSJOKOMUDXAF-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3CC2)cc1C#N ZINC001279178478 1317204173 /nfs/dbraw/zinc/20/41/73/1317204173.db2.gz ZAEAANCQPKHGNX-BGYRXZFFSA-N 1 3 349.482 2.636 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3CC2)cc1C#N ZINC001279178478 1317204179 /nfs/dbraw/zinc/20/41/79/1317204179.db2.gz ZAEAANCQPKHGNX-BGYRXZFFSA-N 1 3 349.482 2.636 20 30 EFEDHO C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001326480774 1329759652 /nfs/dbraw/zinc/75/96/52/1329759652.db2.gz NMCYAEAHRPZQLA-QFBILLFUSA-N 1 3 329.488 2.563 20 30 EFEDHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001326480776 1329759737 /nfs/dbraw/zinc/75/97/37/1329759737.db2.gz NMCYAEAHRPZQLA-VQIMIIECSA-N 1 3 329.488 2.563 20 30 EFEDHO C[C@H](CCNCCC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001326596006 1330324443 /nfs/dbraw/zinc/32/44/43/1330324443.db2.gz GWDMQNBXWKXUQF-MRXNPFEDSA-N 1 3 328.460 2.741 20 30 EFEDHO C[C@@H](CCNCCC(=O)Nc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC001326596005 1330324473 /nfs/dbraw/zinc/32/44/73/1330324473.db2.gz GWDMQNBXWKXUQF-INIZCTEOSA-N 1 3 328.460 2.741 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089762 1332138031 /nfs/dbraw/zinc/13/80/31/1332138031.db2.gz HFKVJLQLDAMCBM-MOPGFXCFSA-N 1 3 329.488 2.651 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089762 1332138035 /nfs/dbraw/zinc/13/80/35/1332138035.db2.gz HFKVJLQLDAMCBM-MOPGFXCFSA-N 1 3 329.488 2.651 20 30 EFEDHO C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679610 1334558980 /nfs/dbraw/zinc/55/89/80/1334558980.db2.gz FAGHWEAVHHQLFP-LADRWXRNSA-N 1 3 339.499 2.650 20 30 EFEDHO C=CCCC[NH2+]C1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679976 1334559891 /nfs/dbraw/zinc/55/98/91/1334559891.db2.gz YSESEQHQKGAKAV-LADRWXRNSA-N 1 3 339.499 2.650 20 30 EFEDHO CCCCCCCC[C@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001357444638 1335308023 /nfs/dbraw/zinc/30/80/23/1335308023.db2.gz HVQFEQUXBGMLLD-RDJZCZTQSA-N 1 3 332.492 2.914 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001357458662 1335308487 /nfs/dbraw/zinc/30/84/87/1335308487.db2.gz ZDSNVCSKUDQHFW-HSALFYBXSA-N 1 3 343.515 2.869 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1CC ZINC001375292897 1342600495 /nfs/dbraw/zinc/60/04/95/1342600495.db2.gz YWADZBRALDQTGO-HOTGVXAUSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001377916659 1344580667 /nfs/dbraw/zinc/58/06/67/1344580667.db2.gz ZZPODFPVNUYSAI-UHFFFAOYSA-N 1 3 327.900 2.582 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001380672842 1347804068 /nfs/dbraw/zinc/80/40/68/1347804068.db2.gz FCWJBKUCPQUTFQ-MAUKXSAKSA-N 1 3 349.906 2.941 20 30 EFEDHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382539207 1349006034 /nfs/dbraw/zinc/00/60/34/1349006034.db2.gz HUVLOHMKRQCGFS-GOSISDBHSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390616219 1354212191 /nfs/dbraw/zinc/21/21/91/1354212191.db2.gz QAKNJFAFYRCXSX-HUUCEWRRSA-N 1 3 329.916 2.734 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676402 1387279208 /nfs/dbraw/zinc/27/92/08/1387279208.db2.gz XFVZUJSAZSEZGJ-CVEARBPZSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676402 1387279212 /nfs/dbraw/zinc/27/92/12/1387279212.db2.gz XFVZUJSAZSEZGJ-CVEARBPZSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676408 1387279342 /nfs/dbraw/zinc/27/93/42/1387279342.db2.gz XFVZUJSAZSEZGJ-HZPDHXFCSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676408 1387279346 /nfs/dbraw/zinc/27/93/46/1387279346.db2.gz XFVZUJSAZSEZGJ-HZPDHXFCSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001392197648 1355853746 /nfs/dbraw/zinc/85/37/46/1355853746.db2.gz RDRJTBUEJNQYHF-GDBMZVCRSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001392197648 1355853750 /nfs/dbraw/zinc/85/37/50/1355853750.db2.gz RDRJTBUEJNQYHF-GDBMZVCRSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001401302036 1362647251 /nfs/dbraw/zinc/64/72/51/1362647251.db2.gz VKLAASNQFMKFKS-UKRRQHHQSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001406999379 1368301857 /nfs/dbraw/zinc/30/18/57/1368301857.db2.gz JZIYVUGYNOQYBY-KRWDZBQOSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001406999379 1368301865 /nfs/dbraw/zinc/30/18/65/1368301865.db2.gz JZIYVUGYNOQYBY-KRWDZBQOSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001421842026 1379221916 /nfs/dbraw/zinc/22/19/16/1379221916.db2.gz SZIUEQGLDBXMID-MRXNPFEDSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001421842026 1379221918 /nfs/dbraw/zinc/22/19/18/1379221918.db2.gz SZIUEQGLDBXMID-MRXNPFEDSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001424154295 1382802535 /nfs/dbraw/zinc/80/25/35/1382802535.db2.gz WUIXMHBDVVNTRY-OAHLLOKOSA-N 1 3 329.916 2.688 20 30 EFEDHO C=C(Cl)CNC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001424154295 1382802539 /nfs/dbraw/zinc/80/25/39/1382802539.db2.gz WUIXMHBDVVNTRY-OAHLLOKOSA-N 1 3 329.916 2.688 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001439503131 1389300105 /nfs/dbraw/zinc/30/01/05/1389300105.db2.gz YZYVWBMESIZFFX-KRWDZBQOSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001440702369 1389827351 /nfs/dbraw/zinc/82/73/51/1389827351.db2.gz MVUPOAUWMJVMFP-UHFFFAOYSA-N 1 3 329.916 2.641 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001568157908 1416428607 /nfs/dbraw/zinc/42/86/07/1416428607.db2.gz HEFKFRDDCOHYRJ-ROUUACIJSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001568157908 1416428608 /nfs/dbraw/zinc/42/86/08/1416428608.db2.gz HEFKFRDDCOHYRJ-ROUUACIJSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC001724741204 1424969341 /nfs/dbraw/zinc/96/93/41/1424969341.db2.gz NDPKLGWYHVNTMN-IBGZPJMESA-N 1 3 331.504 2.897 20 30 EFEDHO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC001724741204 1424969349 /nfs/dbraw/zinc/96/93/49/1424969349.db2.gz NDPKLGWYHVNTMN-IBGZPJMESA-N 1 3 331.504 2.897 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC(=C)C)CC1 ZINC000969156200 712943283 /nfs/dbraw/zinc/94/32/83/712943283.db2.gz MDUQFFUCLJKFPX-FQEVSTJZSA-N 1 3 345.531 2.659 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(=C)C)CC1 ZINC000969156200 712943284 /nfs/dbraw/zinc/94/32/84/712943284.db2.gz MDUQFFUCLJKFPX-FQEVSTJZSA-N 1 3 345.531 2.659 20 30 EFEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156479 712945466 /nfs/dbraw/zinc/94/54/66/712945466.db2.gz UCSGVZASTXMTEC-LJQANCHMSA-N 1 3 341.499 2.746 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001020502340 713087915 /nfs/dbraw/zinc/08/79/15/713087915.db2.gz JAZXEHVIMGRTTO-BFYDXBDKSA-N 1 3 339.911 2.773 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502340 713087916 /nfs/dbraw/zinc/08/79/16/713087916.db2.gz JAZXEHVIMGRTTO-BFYDXBDKSA-N 1 3 339.911 2.773 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC1CC1 ZINC000304952531 713096385 /nfs/dbraw/zinc/09/63/85/713096385.db2.gz TXUGIUKRMXSUDM-GOSISDBHSA-N 1 3 344.503 2.672 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001020906691 713435412 /nfs/dbraw/zinc/43/54/12/713435412.db2.gz IHGDCNDAWVIXDJ-JYJNAYRXSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020906691 713435413 /nfs/dbraw/zinc/43/54/13/713435413.db2.gz IHGDCNDAWVIXDJ-JYJNAYRXSA-N 1 3 327.900 2.630 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154096 713536487 /nfs/dbraw/zinc/53/64/87/713536487.db2.gz PJNBGQLSOPDVAX-RTBURBONSA-N 1 3 335.536 2.709 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154096 713536489 /nfs/dbraw/zinc/53/64/89/713536489.db2.gz PJNBGQLSOPDVAX-RTBURBONSA-N 1 3 335.536 2.709 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980239046 717967347 /nfs/dbraw/zinc/96/73/47/717967347.db2.gz CCCWBJFCAZYLKN-UFYCRDLUSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980239046 717967349 /nfs/dbraw/zinc/96/73/49/717967349.db2.gz CCCWBJFCAZYLKN-UFYCRDLUSA-N 1 3 341.499 2.765 20 30 EFEDHO C#CCCN1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947178 715370103 /nfs/dbraw/zinc/37/01/03/715370103.db2.gz NRAZBWQICYSRHZ-MOPGFXCFSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCCN1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947178 715370107 /nfs/dbraw/zinc/37/01/07/715370107.db2.gz NRAZBWQICYSRHZ-MOPGFXCFSA-N 1 3 345.531 2.633 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957045 716014881 /nfs/dbraw/zinc/01/48/81/716014881.db2.gz IHGDCNDAWVIXDJ-OWCLPIDISA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001022957045 716014886 /nfs/dbraw/zinc/01/48/86/716014886.db2.gz IHGDCNDAWVIXDJ-OWCLPIDISA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(C)CN1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442662 716218595 /nfs/dbraw/zinc/21/85/95/716218595.db2.gz WZDDBYYTQIRGEI-SFHVURJKSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)CN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641523 716433423 /nfs/dbraw/zinc/43/34/23/716433423.db2.gz NXFAOYQTHXMATD-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654439 716446282 /nfs/dbraw/zinc/44/62/82/716446282.db2.gz LPTRZOTZBNLZSW-SFHVURJKSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)(C)C)CC2(C)C)CC1 ZINC000977654439 716446285 /nfs/dbraw/zinc/44/62/85/716446285.db2.gz LPTRZOTZBNLZSW-SFHVURJKSA-N 1 3 347.547 2.594 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761511 716974062 /nfs/dbraw/zinc/97/40/62/716974062.db2.gz BNWPNGXIEUBZIQ-GOSISDBHSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761511 716974064 /nfs/dbraw/zinc/97/40/64/716974064.db2.gz BNWPNGXIEUBZIQ-GOSISDBHSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763200 716975247 /nfs/dbraw/zinc/97/52/47/716975247.db2.gz DVNKTSKZNNRWJK-QGZVFWFLSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763200 716975249 /nfs/dbraw/zinc/97/52/49/716975249.db2.gz DVNKTSKZNNRWJK-QGZVFWFLSA-N 1 3 329.488 2.766 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024441021 717740485 /nfs/dbraw/zinc/74/04/85/717740485.db2.gz XDHNFDGQIJFWEU-UYAOXDASSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024441021 717740490 /nfs/dbraw/zinc/74/04/90/717740490.db2.gz XDHNFDGQIJFWEU-UYAOXDASSA-N 1 3 345.531 2.635 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980166097 717830246 /nfs/dbraw/zinc/83/02/46/717830246.db2.gz DVHNZUOASPZKFB-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980166097 717830249 /nfs/dbraw/zinc/83/02/49/717830249.db2.gz DVHNZUOASPZKFB-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980166098 717830339 /nfs/dbraw/zinc/83/03/39/717830339.db2.gz DVHNZUOASPZKFB-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980166098 717830340 /nfs/dbraw/zinc/83/03/40/717830340.db2.gz DVHNZUOASPZKFB-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814045 718174476 /nfs/dbraw/zinc/17/44/76/718174476.db2.gz NIRHLXIWNWJKOD-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246776 718466907 /nfs/dbraw/zinc/46/69/07/718466907.db2.gz HCLVTXVBRWZOKY-ZWKOTPCHSA-N 1 3 331.504 2.646 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260710 718488533 /nfs/dbraw/zinc/48/85/33/718488533.db2.gz YWJBBGAZVWISGM-RBUKOAKNSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260710 718488536 /nfs/dbraw/zinc/48/85/36/718488536.db2.gz YWJBBGAZVWISGM-RBUKOAKNSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289364 718521312 /nfs/dbraw/zinc/52/13/12/718521312.db2.gz ZHBZGZKEJZCNDK-WOJBJXKFSA-N 1 3 345.531 2.586 20 30 EFEDHO C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472926 718958705 /nfs/dbraw/zinc/95/87/05/718958705.db2.gz WDNYYFVWTATIBD-GDBMZVCRSA-N 1 3 346.862 2.917 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000981768918 719028051 /nfs/dbraw/zinc/02/80/51/719028051.db2.gz VJWCJIJAWZDBMD-GOSISDBHSA-N 1 3 345.531 2.751 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000981768918 719028054 /nfs/dbraw/zinc/02/80/54/719028054.db2.gz VJWCJIJAWZDBMD-GOSISDBHSA-N 1 3 345.531 2.751 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629678 719254417 /nfs/dbraw/zinc/25/44/17/719254417.db2.gz IQBRSLFRUBGVRA-AZUAARDMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629678 719254418 /nfs/dbraw/zinc/25/44/18/719254418.db2.gz IQBRSLFRUBGVRA-AZUAARDMSA-N 1 3 345.531 2.515 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630939 719258618 /nfs/dbraw/zinc/25/86/18/719258618.db2.gz XDEVIKGXTILSIX-MSOLQXFVSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630939 719258621 /nfs/dbraw/zinc/25/86/21/719258621.db2.gz XDEVIKGXTILSIX-MSOLQXFVSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC000982163538 719607467 /nfs/dbraw/zinc/60/74/67/719607467.db2.gz FKURKTXERZHUCT-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275434 719773189 /nfs/dbraw/zinc/77/31/89/719773189.db2.gz GRHLUBIKXPBNLA-YSIASYRMSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275434 719773193 /nfs/dbraw/zinc/77/31/93/719773193.db2.gz GRHLUBIKXPBNLA-YSIASYRMSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982429268 720049729 /nfs/dbraw/zinc/04/97/29/720049729.db2.gz PDTYCKSIOXRTOR-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982429268 720049736 /nfs/dbraw/zinc/04/97/36/720049736.db2.gz PDTYCKSIOXRTOR-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332884 720372463 /nfs/dbraw/zinc/37/24/63/720372463.db2.gz FSMICQNFEDUJGQ-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332884 720372469 /nfs/dbraw/zinc/37/24/69/720372469.db2.gz FSMICQNFEDUJGQ-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001026425996 720553226 /nfs/dbraw/zinc/55/32/26/720553226.db2.gz IISMXTZDZFNGKP-DFQSSKMNSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001026610236 720820437 /nfs/dbraw/zinc/82/04/37/720820437.db2.gz IEWZKYKSTDMMLI-GPANFISMSA-N 1 3 327.900 2.630 20 30 EFEDHO C=CC[NH+]1CCC(NC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000896208292 723198078 /nfs/dbraw/zinc/19/80/78/723198078.db2.gz BTHKOVOOMKXORY-IBGZPJMESA-N 1 3 345.487 2.501 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067479 728912763 /nfs/dbraw/zinc/91/27/63/728912763.db2.gz XGITUYJSZSCCCR-WMZOPIPTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067479 728912765 /nfs/dbraw/zinc/91/27/65/728912765.db2.gz XGITUYJSZSCCCR-WMZOPIPTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987551436 725748173 /nfs/dbraw/zinc/74/81/73/725748173.db2.gz OCOALCAAWQXQGP-WMLDXEAASA-N 1 3 335.879 2.693 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992929051 726344868 /nfs/dbraw/zinc/34/48/68/726344868.db2.gz DPQVKIGZOHMYHB-MISYRCLQSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994203255 727622367 /nfs/dbraw/zinc/62/23/67/727622367.db2.gz KSLOOBPBRXTSSP-LPHOPBHVSA-N 1 3 333.520 2.654 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(OC)ccc2ccccc21 ZINC000170911123 728494506 /nfs/dbraw/zinc/49/45/06/728494506.db2.gz UJWJOHNVONTBGQ-MRXNPFEDSA-N 1 3 340.471 2.737 20 30 EFEDHO C#CCOc1ccc(Br)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC001574735687 1088062622 /nfs/dbraw/zinc/06/26/22/1088062622.db2.gz MKFQPBFWWRUYLL-INIZCTEOSA-N 1 3 349.272 2.693 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001574902027 1088144898 /nfs/dbraw/zinc/14/48/98/1088144898.db2.gz ZDEPVUHIQVSMBJ-RBUKOAKNSA-N 1 3 329.488 2.793 20 30 EFEDHO Cn1cc(CN2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c(-c2ccc(C#N)cc2)n1 ZINC001579961668 1090733768 /nfs/dbraw/zinc/73/37/68/1090733768.db2.gz PRMSDQGMKNGCCS-FPOVZHCZSA-N 1 3 349.482 2.910 20 30 EFEDHO N#Cc1cccc(NC(=O)CC[N@@H+](CCCN)CC2CCCC2)c1 ZINC001580076009 1090765166 /nfs/dbraw/zinc/76/51/66/1090765166.db2.gz NGVPAGAZIWCJJP-UHFFFAOYSA-N 1 3 328.460 2.728 20 30 EFEDHO N#Cc1cccc(NC(=O)CC[N@H+](CCCN)CC2CCCC2)c1 ZINC001580076009 1090765169 /nfs/dbraw/zinc/76/51/69/1090765169.db2.gz NGVPAGAZIWCJJP-UHFFFAOYSA-N 1 3 328.460 2.728 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001167599541 1093007076 /nfs/dbraw/zinc/00/70/76/1093007076.db2.gz KZHMNTAYNXUGCW-UHFFFAOYSA-N 1 3 341.927 2.735 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453787 1093035568 /nfs/dbraw/zinc/03/55/68/1093035568.db2.gz BHRFLVSEFAMQBD-GOSISDBHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453787 1093035576 /nfs/dbraw/zinc/03/55/76/1093035576.db2.gz BHRFLVSEFAMQBD-GOSISDBHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615692 1094309747 /nfs/dbraw/zinc/30/97/47/1094309747.db2.gz BMRJBRSXRYQSOK-VQTJNVASSA-N 1 3 341.499 2.631 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112530010 1094772618 /nfs/dbraw/zinc/77/26/18/1094772618.db2.gz ZAHZWGBSHVOPEL-HBFSDRIKSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211695198 1095040408 /nfs/dbraw/zinc/04/04/08/1095040408.db2.gz PUTLPIJYLIGZFV-VQTJNVASSA-N 1 3 343.515 2.879 20 30 EFEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753457 1095672867 /nfs/dbraw/zinc/67/28/67/1095672867.db2.gz BRFZMLPKTKSBBB-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753675 1095677132 /nfs/dbraw/zinc/67/71/32/1095677132.db2.gz NLJUQDQSVJPQPL-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900979 1096342311 /nfs/dbraw/zinc/34/23/11/1096342311.db2.gz OOPUYYDDDKUTGW-UHFFFAOYSA-N 1 3 332.492 2.883 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268784 1099012134 /nfs/dbraw/zinc/01/21/34/1099012134.db2.gz VSCWUKQWFWAJER-QKLQHJQFSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001101268784 1099012147 /nfs/dbraw/zinc/01/21/47/1099012147.db2.gz VSCWUKQWFWAJER-QKLQHJQFSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001105067155 1099541649 /nfs/dbraw/zinc/54/16/49/1099541649.db2.gz PLDLNAKUQFRFBU-QRVBRYPASA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271092702 1100468787 /nfs/dbraw/zinc/46/87/87/1100468787.db2.gz JGJVOKKMUXVAHT-CVEARBPZSA-N 1 3 345.478 2.612 20 30 EFEDHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001271092702 1100468790 /nfs/dbraw/zinc/46/87/90/1100468790.db2.gz JGJVOKKMUXVAHT-CVEARBPZSA-N 1 3 345.478 2.612 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966671 1101094828 /nfs/dbraw/zinc/09/48/28/1101094828.db2.gz PDHZMTSWFQUVFV-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966671 1101094835 /nfs/dbraw/zinc/09/48/35/1101094835.db2.gz PDHZMTSWFQUVFV-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212858 1101891661 /nfs/dbraw/zinc/89/16/61/1101891661.db2.gz WTDVBCLIJOIEOY-QYZOEREBSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@@H]2C1 ZINC001088212858 1101891674 /nfs/dbraw/zinc/89/16/74/1101891674.db2.gz WTDVBCLIJOIEOY-QYZOEREBSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287971 1102592567 /nfs/dbraw/zinc/59/25/67/1102592567.db2.gz OFEHHBZBDNTDEE-FGTMMUONSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088329904 1102941991 /nfs/dbraw/zinc/94/19/91/1102941991.db2.gz KAVHGDZSZVDRBG-SJORKVTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329904 1102941994 /nfs/dbraw/zinc/94/19/94/1102941994.db2.gz KAVHGDZSZVDRBG-SJORKVTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001088369636 1103203650 /nfs/dbraw/zinc/20/36/50/1103203650.db2.gz OREGXGALDQLEQO-YESZJQIVSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369636 1103203659 /nfs/dbraw/zinc/20/36/59/1103203659.db2.gz OREGXGALDQLEQO-YESZJQIVSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001088393323 1103401787 /nfs/dbraw/zinc/40/17/87/1103401787.db2.gz BGGOXMRFVZQZPL-KRWDZBQOSA-N 1 3 341.927 2.832 20 30 EFEDHO C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105428914 1103961625 /nfs/dbraw/zinc/96/16/25/1103961625.db2.gz FWKWPKGEQBCEDL-SBHAEUEKSA-N 1 3 343.515 2.709 20 30 EFEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001105429238 1103990135 /nfs/dbraw/zinc/99/01/35/1103990135.db2.gz RRXBCTZMZRLXDK-RVWIWJKTSA-N 1 3 343.515 2.709 20 30 EFEDHO C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105429244 1103990866 /nfs/dbraw/zinc/99/08/66/1103990866.db2.gz SAARURCKLVYWJY-SBHAEUEKSA-N 1 3 343.515 2.709 20 30 EFEDHO C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)CCC)C1 ZINC001105446539 1104204546 /nfs/dbraw/zinc/20/45/46/1104204546.db2.gz NMIFFEZUFOFCRX-TYKWCNGQSA-N 1 3 343.515 2.711 20 30 EFEDHO C[N@@H+]1CCCC[C@@H]1CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000906502398 1104274993 /nfs/dbraw/zinc/27/49/93/1104274993.db2.gz ROBXNVKGWBVQRR-GOSISDBHSA-N 1 3 331.460 2.748 20 30 EFEDHO C[N@H+]1CCCC[C@@H]1CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000906502398 1104274999 /nfs/dbraw/zinc/27/49/99/1104274999.db2.gz ROBXNVKGWBVQRR-GOSISDBHSA-N 1 3 331.460 2.748 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569070 1104588826 /nfs/dbraw/zinc/58/88/26/1104588826.db2.gz GBMKIINOVRAXGF-LMMKCTJWSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569070 1104588833 /nfs/dbraw/zinc/58/88/33/1104588833.db2.gz GBMKIINOVRAXGF-LMMKCTJWSA-N 1 3 333.520 2.796 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)cc1OC ZINC000264112534 1105598727 /nfs/dbraw/zinc/59/87/27/1105598727.db2.gz RHIXUUCJOGBTOC-ZIAGYGMSSA-N 1 3 334.464 2.551 20 30 EFEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105560875 1105939043 /nfs/dbraw/zinc/93/90/43/1105939043.db2.gz FBCQGSBESFYYSE-MSOLQXFVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249938 1107646093 /nfs/dbraw/zinc/64/60/93/1107646093.db2.gz GKQQMADULMFBGG-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040249938 1107646099 /nfs/dbraw/zinc/64/60/99/1107646099.db2.gz GKQQMADULMFBGG-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812188 1109104154 /nfs/dbraw/zinc/10/41/54/1109104154.db2.gz RAFGZGKHQFGQMV-NEWSRXKRSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812188 1109104157 /nfs/dbraw/zinc/10/41/57/1109104157.db2.gz RAFGZGKHQFGQMV-NEWSRXKRSA-N 1 3 333.520 2.939 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106312451 1111399460 /nfs/dbraw/zinc/39/94/60/1111399460.db2.gz IDUYERVJJZGCHU-KZNAEPCWSA-N 1 3 325.541 2.981 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229252 1111564020 /nfs/dbraw/zinc/56/40/20/1111564020.db2.gz ICMLIISLKLXSAO-ROUUACIJSA-N 1 3 335.536 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)CC(C)(C)C2)CC1 ZINC001089560595 1112308764 /nfs/dbraw/zinc/30/87/64/1112308764.db2.gz BRGDHKCPRYDLJX-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)CC(C)(C)C2)CC1 ZINC001089560595 1112308766 /nfs/dbraw/zinc/30/87/66/1112308766.db2.gz BRGDHKCPRYDLJX-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001089642425 1112436435 /nfs/dbraw/zinc/43/64/35/1112436435.db2.gz LPHUFSQGQJGLFL-OKZBNKHCSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642425 1112436437 /nfs/dbraw/zinc/43/64/37/1112436437.db2.gz LPHUFSQGQJGLFL-OKZBNKHCSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCN1CCCCC1 ZINC001272718462 1119172172 /nfs/dbraw/zinc/17/21/72/1119172172.db2.gz IJSCRGWOKSXTOU-FQEVSTJZSA-N 1 3 333.520 2.896 20 30 EFEDHO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCN1CCCCC1 ZINC001272718462 1119172174 /nfs/dbraw/zinc/17/21/74/1119172174.db2.gz IJSCRGWOKSXTOU-FQEVSTJZSA-N 1 3 333.520 2.896 20 30 EFEDHO CN(C)C1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCCC1 ZINC000083029804 1120739412 /nfs/dbraw/zinc/73/94/12/1120739412.db2.gz KMORETSJZRDNDN-INIZCTEOSA-N 1 3 330.476 2.679 20 30 EFEDHO N#Cc1ccccc1OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963134 231083648 /nfs/dbraw/zinc/08/36/48/231083648.db2.gz PFDYZJIZVQJXAC-UHFFFAOYSA-N 1 3 343.471 2.514 20 30 EFEDHO C[C@@H]1CCC[C@](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)(N(C)C)C1 ZINC000262563943 240360470 /nfs/dbraw/zinc/36/04/70/240360470.db2.gz XFYVDJXCAGAPNI-SYNHAJSKSA-N 1 3 344.503 2.925 20 30 EFEDHO C#CCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654399 201306438 /nfs/dbraw/zinc/30/64/38/201306438.db2.gz SSITYCIWHRWDNN-ROUUACIJSA-N 1 3 330.472 2.850 20 30 EFEDHO C#CCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278654399 201306442 /nfs/dbraw/zinc/30/64/42/201306442.db2.gz SSITYCIWHRWDNN-ROUUACIJSA-N 1 3 330.472 2.850 20 30 EFEDHO N#C[C@H]1CCC[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277283 240093316 /nfs/dbraw/zinc/09/33/16/240093316.db2.gz DAAGJEBNWNBPPJ-FFZOFVMBSA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@H]1CCC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277283 240093321 /nfs/dbraw/zinc/09/33/21/240093321.db2.gz DAAGJEBNWNBPPJ-FFZOFVMBSA-N 1 3 327.472 2.815 20 30 EFEDHO CC(C)[C@@]1(C)C[C@H]1NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000263137067 240379726 /nfs/dbraw/zinc/37/97/26/240379726.db2.gz NTSCWPLKRBCWMQ-UYAOXDASSA-N 1 3 328.504 2.990 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358161393 242115271 /nfs/dbraw/zinc/11/52/71/242115271.db2.gz XKWIXNVRQXFCAE-SJORKVTESA-N 1 3 336.524 2.589 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358161393 242115276 /nfs/dbraw/zinc/11/52/76/242115276.db2.gz XKWIXNVRQXFCAE-SJORKVTESA-N 1 3 336.524 2.589 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521148 242123989 /nfs/dbraw/zinc/12/39/89/242123989.db2.gz XDVCKKDSAWMUGW-INIZCTEOSA-N 1 3 347.528 2.727 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361763700 242231946 /nfs/dbraw/zinc/23/19/46/242231946.db2.gz JFIFPOSFNORDEE-AEFFLSMTSA-N 1 3 336.524 2.541 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361763700 242231952 /nfs/dbraw/zinc/23/19/52/242231952.db2.gz JFIFPOSFNORDEE-AEFFLSMTSA-N 1 3 336.524 2.541 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361763701 242232021 /nfs/dbraw/zinc/23/20/21/242232021.db2.gz JFIFPOSFNORDEE-FUHWJXTLSA-N 1 3 336.524 2.541 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361763701 242232027 /nfs/dbraw/zinc/23/20/27/242232027.db2.gz JFIFPOSFNORDEE-FUHWJXTLSA-N 1 3 336.524 2.541 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000361763702 242232150 /nfs/dbraw/zinc/23/21/50/242232150.db2.gz JFIFPOSFNORDEE-SJLPKXTDSA-N 1 3 336.524 2.541 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361763702 242232155 /nfs/dbraw/zinc/23/21/55/242232155.db2.gz JFIFPOSFNORDEE-SJLPKXTDSA-N 1 3 336.524 2.541 20 30 EFEDHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000069451246 203001531 /nfs/dbraw/zinc/00/15/31/203001531.db2.gz LAENBUABNKSUGE-CALCHBBNSA-N 1 3 327.472 2.879 20 30 EFEDHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000069451246 203001536 /nfs/dbraw/zinc/00/15/36/203001536.db2.gz LAENBUABNKSUGE-CALCHBBNSA-N 1 3 327.472 2.879 20 30 EFEDHO N#C[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000442778112 250116092 /nfs/dbraw/zinc/11/60/92/250116092.db2.gz JYFDFRLGGBUBFA-RTBURBONSA-N 1 3 326.488 2.871 20 30 EFEDHO CN1CCN(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1(C)C ZINC000442878658 250134802 /nfs/dbraw/zinc/13/48/02/250134802.db2.gz UHYXTICZLOMIKH-HXUWFJFHSA-N 1 3 340.515 2.941 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896885 250138623 /nfs/dbraw/zinc/13/86/23/250138623.db2.gz LQCHKXDHUROJKD-MBOZVWFJSA-N 1 3 326.488 2.577 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896885 250138627 /nfs/dbraw/zinc/13/86/27/250138627.db2.gz LQCHKXDHUROJKD-MBOZVWFJSA-N 1 3 326.488 2.577 20 30 EFEDHO C=CCN(CC=C)C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601443 250211619 /nfs/dbraw/zinc/21/16/19/250211619.db2.gz JNPMVAIVNDVIRY-UHFFFAOYSA-N 1 3 333.520 2.775 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449849575 251176891 /nfs/dbraw/zinc/17/68/91/251176891.db2.gz NWNUZCXMTUADMT-LJQANCHMSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849575 251176895 /nfs/dbraw/zinc/17/68/95/251176895.db2.gz NWNUZCXMTUADMT-LJQANCHMSA-N 1 3 333.520 2.940 20 30 EFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360037 285250471 /nfs/dbraw/zinc/25/04/71/285250471.db2.gz YKOFENPWCLRTIZ-GOSISDBHSA-N 1 3 332.467 2.545 20 30 EFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360037 285250474 /nfs/dbraw/zinc/25/04/74/285250474.db2.gz YKOFENPWCLRTIZ-GOSISDBHSA-N 1 3 332.467 2.545 20 30 EFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000268969405 255506248 /nfs/dbraw/zinc/50/62/48/255506248.db2.gz MMJPKGUHHHBBKB-NHCUHLMSSA-N 1 3 342.483 2.556 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(C#N)c(F)c1 ZINC000344124820 145373755 /nfs/dbraw/zinc/37/37/55/145373755.db2.gz HLIFZFCAIREMKY-UHFFFAOYSA-N 1 3 332.467 2.547 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C#N)c(F)c1 ZINC000344124820 145373757 /nfs/dbraw/zinc/37/37/57/145373757.db2.gz HLIFZFCAIREMKY-UHFFFAOYSA-N 1 3 332.467 2.547 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H](C)c1cccc(C#N)c1 ZINC000344160137 145381916 /nfs/dbraw/zinc/38/19/16/145381916.db2.gz DOKAARNTCPZMNY-GOSISDBHSA-N 1 3 328.504 2.969 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H](C)c1cccc(C#N)c1 ZINC000344160137 145381918 /nfs/dbraw/zinc/38/19/18/145381918.db2.gz DOKAARNTCPZMNY-GOSISDBHSA-N 1 3 328.504 2.969 20 30 EFEDHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172975 151126502 /nfs/dbraw/zinc/12/65/02/151126502.db2.gz LSAUEMCOFLZPST-UYAOXDASSA-N 1 3 326.488 2.767 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424138764 287276506 /nfs/dbraw/zinc/27/65/06/287276506.db2.gz UVHDVZLVZLPXIN-APWZRJJASA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000424138764 287276508 /nfs/dbraw/zinc/27/65/08/287276508.db2.gz UVHDVZLVZLPXIN-APWZRJJASA-N 1 3 342.487 2.698 20 30 EFEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211305 266151591 /nfs/dbraw/zinc/15/15/91/266151591.db2.gz WAJFNMSCJLJKDU-CRAIPNDOSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000354211305 266151594 /nfs/dbraw/zinc/15/15/94/266151594.db2.gz WAJFNMSCJLJKDU-CRAIPNDOSA-N 1 3 328.460 2.691 20 30 EFEDHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039917 267104321 /nfs/dbraw/zinc/10/43/21/267104321.db2.gz BRRIJPGHCKLHKY-INIZCTEOSA-N 1 3 348.878 2.956 20 30 EFEDHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039917 267104323 /nfs/dbraw/zinc/10/43/23/267104323.db2.gz BRRIJPGHCKLHKY-INIZCTEOSA-N 1 3 348.878 2.956 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000271852924 268065889 /nfs/dbraw/zinc/06/58/89/268065889.db2.gz IYDHKADTXODADK-LEWJYISDSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852924 268065891 /nfs/dbraw/zinc/06/58/91/268065891.db2.gz IYDHKADTXODADK-LEWJYISDSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000271852924 268065893 /nfs/dbraw/zinc/06/58/93/268065893.db2.gz IYDHKADTXODADK-LEWJYISDSA-N 1 3 338.499 2.739 20 30 EFEDHO CN(C)Cc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000083032077 473316495 /nfs/dbraw/zinc/31/64/95/473316495.db2.gz VMNVLKYPFCNVLY-GOSISDBHSA-N 1 3 338.455 2.676 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000057169529 472389625 /nfs/dbraw/zinc/38/96/25/472389625.db2.gz CDEYRIDSAPVOCF-UHFFFAOYSA-N 1 3 327.472 2.812 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116430434 472407875 /nfs/dbraw/zinc/40/78/75/472407875.db2.gz ZHWLEUVIDMHBBV-KRWDZBQOSA-N 1 3 338.540 2.693 20 30 EFEDHO C#CCOc1ccc([C@H](C)[NH2+]CCCCN2CCN(CC)CC2)cc1 ZINC000154476500 472436545 /nfs/dbraw/zinc/43/65/45/472436545.db2.gz STPWYIRFUQYRGH-IBGZPJMESA-N 1 3 343.515 2.767 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CC1 ZINC000128673967 472483038 /nfs/dbraw/zinc/48/30/38/472483038.db2.gz AVBOKKUXAZGZTG-UHFFFAOYSA-N 1 3 339.483 2.875 20 30 EFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000130383411 472602254 /nfs/dbraw/zinc/60/22/54/472602254.db2.gz WKRIDDSHYYEWDO-AEFFLSMTSA-N 1 3 343.471 2.568 20 30 EFEDHO CCCOCc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000104174964 472659521 /nfs/dbraw/zinc/65/95/21/472659521.db2.gz QGNLNYJYAYMNLR-SFHVURJKSA-N 1 3 332.492 2.502 20 30 EFEDHO [NH2+]=C(NCc1ccc(CN2CCC(O)CC2)cc1)Nc1ccccc1 ZINC000105778625 472773799 /nfs/dbraw/zinc/77/37/99/472773799.db2.gz DOQTWAHPWDEVBX-UHFFFAOYSA-N 1 3 338.455 2.570 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000050025023 472973603 /nfs/dbraw/zinc/97/36/03/472973603.db2.gz AXODOLNNDQNWNJ-FQEVSTJZSA-N 1 3 341.499 2.531 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000050025025 472973927 /nfs/dbraw/zinc/97/39/27/472973927.db2.gz AXODOLNNDQNWNJ-HXUWFJFHSA-N 1 3 341.499 2.531 20 30 EFEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000050031526 472974888 /nfs/dbraw/zinc/97/48/88/472974888.db2.gz PNGOLWMALNBEFW-SFHVURJKSA-N 1 3 347.528 2.592 20 30 EFEDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000109787743 473121740 /nfs/dbraw/zinc/12/17/40/473121740.db2.gz LPPOOFVYZUQBHA-UHFFFAOYSA-N 1 3 334.489 2.755 20 30 EFEDHO C=C(C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156077 473155140 /nfs/dbraw/zinc/15/51/40/473155140.db2.gz UXRBHGWHHCUBLO-UHFFFAOYSA-N 1 3 329.488 2.523 20 30 EFEDHO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185697038 473491020 /nfs/dbraw/zinc/49/10/20/473491020.db2.gz PHYRUFBBZAGJCJ-CVAIRZPRSA-N 1 3 327.472 2.834 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000186056039 473582025 /nfs/dbraw/zinc/58/20/25/473582025.db2.gz DRQKNEGKWLQMCW-QGZVFWFLSA-N 1 3 329.488 2.957 20 30 EFEDHO C=C(C)CN1CCC([NH2+][C@@H]2CCN(CCCOCC)C[C@H]2C)CC1 ZINC000152978806 473603070 /nfs/dbraw/zinc/60/30/70/473603070.db2.gz HCRYOXUFHNHZRY-UYAOXDASSA-N 1 3 337.552 2.754 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681241 473732305 /nfs/dbraw/zinc/73/23/05/473732305.db2.gz LRJLLXUQDPAKLZ-APWZRJJASA-N 1 3 344.503 2.627 20 30 EFEDHO Cn1cc(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180063178 473789284 /nfs/dbraw/zinc/78/92/84/473789284.db2.gz XZLWGTHDWODRMD-UHFFFAOYSA-N 1 3 349.482 2.923 20 30 EFEDHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000281812569 473846538 /nfs/dbraw/zinc/84/65/38/473846538.db2.gz WDMDYQVLIACQJJ-HZPDHXFCSA-N 1 3 331.460 2.546 20 30 EFEDHO C=CCCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000180698719 473944596 /nfs/dbraw/zinc/94/45/96/473944596.db2.gz VNOSROSDQLHSNX-INIZCTEOSA-N 1 3 336.524 2.589 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000264086210 473948809 /nfs/dbraw/zinc/94/88/09/473948809.db2.gz JIGREJNCGAPOCJ-OTWHNJEPSA-N 1 3 344.503 2.543 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271869 474138301 /nfs/dbraw/zinc/13/83/01/474138301.db2.gz HWNWJUPYNNDOMH-KKSFZXQISA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000182271869 474138308 /nfs/dbraw/zinc/13/83/08/474138308.db2.gz HWNWJUPYNNDOMH-KKSFZXQISA-N 1 3 335.451 2.976 20 30 EFEDHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271333853 474496248 /nfs/dbraw/zinc/49/62/48/474496248.db2.gz VYOHKHGPTMLTTP-LJQANCHMSA-N 1 3 340.471 2.693 20 30 EFEDHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000271872518 474596750 /nfs/dbraw/zinc/59/67/50/474596750.db2.gz NDRGLNBYUPIJJM-GOSISDBHSA-N 1 3 349.482 2.816 20 30 EFEDHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478475 474655970 /nfs/dbraw/zinc/65/59/70/474655970.db2.gz KJNHDUTWLHBTLS-DLBZAZTESA-N 1 3 331.460 2.740 20 30 EFEDHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478475 474655976 /nfs/dbraw/zinc/65/59/76/474655976.db2.gz KJNHDUTWLHBTLS-DLBZAZTESA-N 1 3 331.460 2.740 20 30 EFEDHO Cc1ccc(NC(=[NH2+])NCC2(N3CCCC3)CCOCC2)cc1C ZINC000267456579 474669807 /nfs/dbraw/zinc/66/98/07/474669807.db2.gz SXMOKKUOYALSDT-UHFFFAOYSA-N 1 3 330.476 2.675 20 30 EFEDHO [NH2+]=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccccc1 ZINC000267452559 474670368 /nfs/dbraw/zinc/67/03/68/474670368.db2.gz RUJKDRIWALOBTH-UHFFFAOYSA-N 1 3 338.455 2.570 20 30 EFEDHO CC(C)(C)[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279665647 474985829 /nfs/dbraw/zinc/98/58/29/474985829.db2.gz ZENHWLDTSJEJOB-QGZVFWFLSA-N 1 3 338.455 2.620 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000337460267 475037996 /nfs/dbraw/zinc/03/79/96/475037996.db2.gz ZMMBBRTUSRWPLX-GBESFXJTSA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000337460267 475038002 /nfs/dbraw/zinc/03/80/02/475038002.db2.gz ZMMBBRTUSRWPLX-GBESFXJTSA-N 1 3 348.535 2.611 20 30 EFEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000280836351 475053174 /nfs/dbraw/zinc/05/31/74/475053174.db2.gz OQDUMYKYGXSBTJ-IBGZPJMESA-N 1 3 338.455 2.623 20 30 EFEDHO CN(C)CC1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCCC1 ZINC000262387506 475230111 /nfs/dbraw/zinc/23/01/11/475230111.db2.gz QHZPZLIZWJTKDN-INIZCTEOSA-N 1 3 330.476 2.537 20 30 EFEDHO C=CC[N@@H+](CC[C@H]1CCCN1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055011 475372801 /nfs/dbraw/zinc/37/28/01/475372801.db2.gz XXZDZOJHEVRPDF-SJLPKXTDSA-N 1 3 340.475 2.696 20 30 EFEDHO C=CC[N@H+](CC[C@H]1CCCN1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055011 475372810 /nfs/dbraw/zinc/37/28/10/475372810.db2.gz XXZDZOJHEVRPDF-SJLPKXTDSA-N 1 3 340.475 2.696 20 30 EFEDHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000342722361 475631337 /nfs/dbraw/zinc/63/13/37/475631337.db2.gz FJHRXCVVYGXBKO-NEWSRXKRSA-N 1 3 325.456 2.844 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CC[N@@H+](C)C1 ZINC000352902717 475665128 /nfs/dbraw/zinc/66/51/28/475665128.db2.gz QHJYRBCITSBJOP-INIZCTEOSA-N 1 3 349.548 2.536 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CC[N@H+](C)C1 ZINC000352902717 475665135 /nfs/dbraw/zinc/66/51/35/475665135.db2.gz QHJYRBCITSBJOP-INIZCTEOSA-N 1 3 349.548 2.536 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413866 475949458 /nfs/dbraw/zinc/94/94/58/475949458.db2.gz QXLWJBSVQZKEST-HXUWFJFHSA-N 1 3 326.488 2.553 20 30 EFEDHO CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000349400521 475960337 /nfs/dbraw/zinc/96/03/37/475960337.db2.gz COOMZJJEVWVFLW-GOSISDBHSA-N 1 3 338.455 2.621 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896884 476704385 /nfs/dbraw/zinc/70/43/85/476704385.db2.gz LQCHKXDHUROJKD-HLIPFELVSA-N 1 3 326.488 2.577 20 30 EFEDHO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896884 476704390 /nfs/dbraw/zinc/70/43/90/476704390.db2.gz LQCHKXDHUROJKD-HLIPFELVSA-N 1 3 326.488 2.577 20 30 EFEDHO CCOC(=O)C1([C@@H](C)N[C@@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999541 476886475 /nfs/dbraw/zinc/88/64/75/476886475.db2.gz SPKRJHUTJRFDSK-AEFFLSMTSA-N 1 3 343.471 2.942 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000415122268 476908548 /nfs/dbraw/zinc/90/85/48/476908548.db2.gz JRXARCUTZJBMTE-QUCCMNQESA-N 1 3 330.472 2.970 20 30 EFEDHO C=CCC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411474206 477248056 /nfs/dbraw/zinc/24/80/56/477248056.db2.gz QKLHVUZIZILNAU-IBGZPJMESA-N 1 3 329.488 2.884 20 30 EFEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424139353 477305529 /nfs/dbraw/zinc/30/55/29/477305529.db2.gz VDJBNPCBCDIDRQ-LPHOPBHVSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424139353 477305535 /nfs/dbraw/zinc/30/55/35/477305535.db2.gz VDJBNPCBCDIDRQ-LPHOPBHVSA-N 1 3 342.487 2.556 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449849574 477574864 /nfs/dbraw/zinc/57/48/64/477574864.db2.gz NWNUZCXMTUADMT-IBGZPJMESA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849574 477574873 /nfs/dbraw/zinc/57/48/73/477574873.db2.gz NWNUZCXMTUADMT-IBGZPJMESA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340484 477710028 /nfs/dbraw/zinc/71/00/28/477710028.db2.gz PMZXWMWTQVKRGJ-YESZJQIVSA-N 1 3 347.528 2.583 20 30 EFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C#N)c(C)c3)CC2)CC1 ZINC000420985240 477877516 /nfs/dbraw/zinc/87/75/16/477877516.db2.gz VWIBFKRSGYMWFI-UHFFFAOYSA-N 1 3 340.515 2.859 20 30 EFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C#N)c(C)c3)CC2)CC1 ZINC000420985240 477877521 /nfs/dbraw/zinc/87/75/21/477877521.db2.gz VWIBFKRSGYMWFI-UHFFFAOYSA-N 1 3 340.515 2.859 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)c(C)c3)CC2)CC1 ZINC000420985240 477877525 /nfs/dbraw/zinc/87/75/25/477877525.db2.gz VWIBFKRSGYMWFI-UHFFFAOYSA-N 1 3 340.515 2.859 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000420997690 477887869 /nfs/dbraw/zinc/88/78/69/477887869.db2.gz AKSMFTBOYIMYPU-UHFFFAOYSA-N 1 3 344.478 2.689 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(CCC)CC[NH+](CC)CC)CC1 ZINC000462001056 477891644 /nfs/dbraw/zinc/89/16/44/477891644.db2.gz RUOJWFURWXFGKO-UHFFFAOYSA-N 1 3 338.540 2.790 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488838803 478190372 /nfs/dbraw/zinc/19/03/72/478190372.db2.gz DXMXQIUKFMQFGH-KRWDZBQOSA-N 1 3 348.535 2.543 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488838803 478190376 /nfs/dbraw/zinc/19/03/76/478190376.db2.gz DXMXQIUKFMQFGH-KRWDZBQOSA-N 1 3 348.535 2.543 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000563205452 478480130 /nfs/dbraw/zinc/48/01/30/478480130.db2.gz GFIIWLJYKCJVSO-WMZOPIPTSA-N 1 3 334.508 2.511 20 30 EFEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000563205452 478480140 /nfs/dbraw/zinc/48/01/40/478480140.db2.gz GFIIWLJYKCJVSO-WMZOPIPTSA-N 1 3 334.508 2.511 20 30 EFEDHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141051 478520611 /nfs/dbraw/zinc/52/06/11/478520611.db2.gz WQWOBKOHEIGBNS-RTBURBONSA-N 1 3 338.455 2.573 20 30 EFEDHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141051 478520619 /nfs/dbraw/zinc/52/06/19/478520619.db2.gz WQWOBKOHEIGBNS-RTBURBONSA-N 1 3 338.455 2.573 20 30 EFEDHO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141050 478521269 /nfs/dbraw/zinc/52/12/69/478521269.db2.gz WQWOBKOHEIGBNS-RBUKOAKNSA-N 1 3 338.455 2.573 20 30 EFEDHO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141050 478521276 /nfs/dbraw/zinc/52/12/76/478521276.db2.gz WQWOBKOHEIGBNS-RBUKOAKNSA-N 1 3 338.455 2.573 20 30 EFEDHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141049 478521775 /nfs/dbraw/zinc/52/17/75/478521775.db2.gz WQWOBKOHEIGBNS-OALUTQOASA-N 1 3 338.455 2.573 20 30 EFEDHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000582141049 478521782 /nfs/dbraw/zinc/52/17/82/478521782.db2.gz WQWOBKOHEIGBNS-OALUTQOASA-N 1 3 338.455 2.573 20 30 EFEDHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859533 478547103 /nfs/dbraw/zinc/54/71/03/478547103.db2.gz FBPNLSMSAFRTNY-ROUUACIJSA-N 1 3 327.472 2.996 20 30 EFEDHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859533 478547109 /nfs/dbraw/zinc/54/71/09/478547109.db2.gz FBPNLSMSAFRTNY-ROUUACIJSA-N 1 3 327.472 2.996 20 30 EFEDHO C#CCNC(=O)CCNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000491450686 478551555 /nfs/dbraw/zinc/55/15/55/478551555.db2.gz BLLIKCSPZCCERJ-UHFFFAOYSA-N 1 3 341.499 2.680 20 30 EFEDHO C#CCNC(=O)CCNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000491450686 478551562 /nfs/dbraw/zinc/55/15/62/478551562.db2.gz BLLIKCSPZCCERJ-UHFFFAOYSA-N 1 3 341.499 2.680 20 30 EFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C#N)cc3C)CC2)CC1 ZINC000591478033 478566161 /nfs/dbraw/zinc/56/61/61/478566161.db2.gz MKQBIXBDQOGXSI-UHFFFAOYSA-N 1 3 340.515 2.859 20 30 EFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C#N)cc3C)CC2)CC1 ZINC000591478033 478566167 /nfs/dbraw/zinc/56/61/67/478566167.db2.gz MKQBIXBDQOGXSI-UHFFFAOYSA-N 1 3 340.515 2.859 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)cc3C)CC2)CC1 ZINC000591478033 478566173 /nfs/dbraw/zinc/56/61/73/478566173.db2.gz MKQBIXBDQOGXSI-UHFFFAOYSA-N 1 3 340.515 2.859 20 30 EFEDHO C#CCN(C)CCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000491777842 478674011 /nfs/dbraw/zinc/67/40/11/478674011.db2.gz IDLRRLNFGSHNQQ-LJQANCHMSA-N 1 3 327.516 2.627 20 30 EFEDHO CCN1CCC([N@@H+]2CCCN(CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595545223 478848039 /nfs/dbraw/zinc/84/80/39/478848039.db2.gz FJCBOJKVLFWLAH-UHFFFAOYSA-N 1 3 340.515 2.593 20 30 EFEDHO CCN1CCC([N@H+]2CCCN(CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595545223 478848045 /nfs/dbraw/zinc/84/80/45/478848045.db2.gz FJCBOJKVLFWLAH-UHFFFAOYSA-N 1 3 340.515 2.593 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560847 478894759 /nfs/dbraw/zinc/89/47/59/478894759.db2.gz NZOFQMABOOLGBJ-WOJBJXKFSA-N 1 3 339.483 2.997 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560847 478894763 /nfs/dbraw/zinc/89/47/63/478894763.db2.gz NZOFQMABOOLGBJ-WOJBJXKFSA-N 1 3 339.483 2.997 20 30 EFEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000598718495 478989588 /nfs/dbraw/zinc/98/95/88/478989588.db2.gz BRLNWDZUTYKDNP-MRXNPFEDSA-N 1 3 335.517 2.850 20 30 EFEDHO CN1CCCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994309 479119232 /nfs/dbraw/zinc/11/92/32/479119232.db2.gz JLLXRVKOZJAQGF-HXUWFJFHSA-N 1 3 340.515 2.844 20 30 EFEDHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320209 479294199 /nfs/dbraw/zinc/29/41/99/479294199.db2.gz AQXLJKLQHPUNTK-JXFKEZNVSA-N 1 3 326.488 2.500 20 30 EFEDHO CC[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321879 479295378 /nfs/dbraw/zinc/29/53/78/479295378.db2.gz JCBBLJIQDOCVTN-UXHICEINSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000602516517 479377292 /nfs/dbraw/zinc/37/72/92/479377292.db2.gz MQDGBJVKOQBJJB-QGZVFWFLSA-N 1 3 345.487 2.816 20 30 EFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000602583560 479409609 /nfs/dbraw/zinc/40/96/09/479409609.db2.gz ZEFIDGCPWMQNMG-KRWDZBQOSA-N 1 3 342.487 2.987 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592008 479413317 /nfs/dbraw/zinc/41/33/17/479413317.db2.gz GHVJVJZOZSNXFI-RTBURBONSA-N 1 3 342.487 2.569 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592008 479413323 /nfs/dbraw/zinc/41/33/23/479413323.db2.gz GHVJVJZOZSNXFI-RTBURBONSA-N 1 3 342.487 2.569 20 30 EFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc2c1CNC2)C(C)C ZINC000662380753 481771844 /nfs/dbraw/zinc/77/18/44/481771844.db2.gz PSUJMXMPYSWDRI-IBGZPJMESA-N 1 3 327.472 2.718 20 30 EFEDHO C=CC[C@]1(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CCC[NH2+]1 ZINC000662678525 481930706 /nfs/dbraw/zinc/93/07/06/481930706.db2.gz GTQKZVBDFHHTGA-FUHWJXTLSA-N 1 3 335.517 2.946 20 30 EFEDHO C=CC[C@@]1(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CCC[NH2+]1 ZINC000662678524 481930989 /nfs/dbraw/zinc/93/09/89/481930989.db2.gz GTQKZVBDFHHTGA-AEFFLSMTSA-N 1 3 335.517 2.946 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040935 527648113 /nfs/dbraw/zinc/64/81/13/527648113.db2.gz VJMANZKCGBTOBI-RBUKOAKNSA-N 1 3 348.535 2.565 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040946 527648573 /nfs/dbraw/zinc/64/85/73/527648573.db2.gz VJMANZKCGBTOBI-RTBURBONSA-N 1 3 348.535 2.565 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160600294 529092134 /nfs/dbraw/zinc/09/21/34/529092134.db2.gz XRHADSODGFOABI-NSHDSACASA-N 1 3 330.354 2.796 20 30 EFEDHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425529193 535199551 /nfs/dbraw/zinc/19/95/51/535199551.db2.gz AWYFRNFVWGOZDG-GOSISDBHSA-N 1 3 328.504 2.967 20 30 EFEDHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000425529193 535199554 /nfs/dbraw/zinc/19/95/54/535199554.db2.gz AWYFRNFVWGOZDG-GOSISDBHSA-N 1 3 328.504 2.967 20 30 EFEDHO CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262644601 535338040 /nfs/dbraw/zinc/33/80/40/535338040.db2.gz ICKIVBDXJFTSBZ-QGZVFWFLSA-N 1 3 332.492 2.736 20 30 EFEDHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306959 536394223 /nfs/dbraw/zinc/39/42/23/536394223.db2.gz BGZBINMCNOQKBP-ICSRJNTNSA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306959 536394228 /nfs/dbraw/zinc/39/42/28/536394228.db2.gz BGZBINMCNOQKBP-ICSRJNTNSA-N 1 3 325.456 2.703 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCc2ccccc2OCCN(C)C)cc1 ZINC000264094850 536655596 /nfs/dbraw/zinc/65/55/96/536655596.db2.gz MDWXFMLBMURHNV-UHFFFAOYSA-N 1 3 342.443 2.562 20 30 EFEDHO C#CCOc1ccccc1C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000772987963 581385979 /nfs/dbraw/zinc/38/59/79/581385979.db2.gz NHFXAESTABGGPV-ICSRJNTNSA-N 1 3 344.499 2.925 20 30 EFEDHO C=C(C)C[N@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001752211344 1249360077 /nfs/dbraw/zinc/36/00/77/1249360077.db2.gz ARUVDRNVRCCOLJ-SFHVURJKSA-N 1 3 327.488 2.603 20 30 EFEDHO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001752211344 1249360084 /nfs/dbraw/zinc/36/00/84/1249360084.db2.gz ARUVDRNVRCCOLJ-SFHVURJKSA-N 1 3 327.488 2.603 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001089683662 1252160568 /nfs/dbraw/zinc/16/05/68/1252160568.db2.gz CGCMNPMWUWONFP-ZWKOTPCHSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089683662 1252160573 /nfs/dbraw/zinc/16/05/73/1252160573.db2.gz CGCMNPMWUWONFP-ZWKOTPCHSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098819620 1255723100 /nfs/dbraw/zinc/72/31/00/1255723100.db2.gz BSZOHPWOEUJPPW-AZUAARDMSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485216 1255952369 /nfs/dbraw/zinc/95/23/69/1255952369.db2.gz PIOHGNJFNLAXBA-SFHLNBCPSA-N 1 3 345.531 2.798 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485216 1255952377 /nfs/dbraw/zinc/95/23/77/1255952377.db2.gz PIOHGNJFNLAXBA-SFHLNBCPSA-N 1 3 345.531 2.798 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566567 1256154082 /nfs/dbraw/zinc/15/40/82/1256154082.db2.gz AGYODYDQVDFFAC-SFHLNBCPSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566567 1256154084 /nfs/dbraw/zinc/15/40/84/1256154084.db2.gz AGYODYDQVDFFAC-SFHLNBCPSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406285 1257125100 /nfs/dbraw/zinc/12/51/00/1257125100.db2.gz WSLDRCOMBLJWMQ-IHPCNDPISA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406285 1257125104 /nfs/dbraw/zinc/12/51/04/1257125104.db2.gz WSLDRCOMBLJWMQ-IHPCNDPISA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000997367720 1257455478 /nfs/dbraw/zinc/45/54/78/1257455478.db2.gz MASYRSFCPGWBSG-UHFFFAOYSA-N 1 3 335.879 2.695 20 30 EFEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997435000 1257579918 /nfs/dbraw/zinc/57/99/18/1257579918.db2.gz SNRHJHZLIQQFPT-MRXNPFEDSA-N 1 3 329.488 2.765 20 30 EFEDHO CC#CC[NH+]1CCC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997871410 1258555589 /nfs/dbraw/zinc/55/55/89/1258555589.db2.gz KOKIHTKHLOHPTK-KRWDZBQOSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020317 1258971872 /nfs/dbraw/zinc/97/18/72/1258971872.db2.gz CIWXFKILEWTSLI-UXHICEINSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020317 1258971877 /nfs/dbraw/zinc/97/18/77/1258971877.db2.gz CIWXFKILEWTSLI-UXHICEINSA-N 1 3 347.547 2.691 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999506831 1260695225 /nfs/dbraw/zinc/69/52/25/1260695225.db2.gz SFVYYHURWNSANL-UYSNPLJNSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999506831 1260695227 /nfs/dbraw/zinc/69/52/27/1260695227.db2.gz SFVYYHURWNSANL-UYSNPLJNSA-N 1 3 327.900 2.581 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000999555044 1260732028 /nfs/dbraw/zinc/73/20/28/1260732028.db2.gz WXGMAEFWIRPSJU-UHFFFAOYSA-N 1 3 335.879 2.693 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626167 1262073394 /nfs/dbraw/zinc/07/33/94/1262073394.db2.gz LWQJOTHUDMVBLS-IAGOWNOFSA-N 1 3 333.520 2.844 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819307 1262362449 /nfs/dbraw/zinc/36/24/49/1262362449.db2.gz LSZFOEUROKZEGP-RBUKOAKNSA-N 1 3 341.499 2.955 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819308 1262362733 /nfs/dbraw/zinc/36/27/33/1262362733.db2.gz LSZFOEUROKZEGP-RTBURBONSA-N 1 3 341.499 2.955 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001084953500 1264755493 /nfs/dbraw/zinc/75/54/93/1264755493.db2.gz QKIFWEHZBHEQRJ-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001084953500 1264755498 /nfs/dbraw/zinc/75/54/98/1264755498.db2.gz QKIFWEHZBHEQRJ-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083102 1266451282 /nfs/dbraw/zinc/45/12/82/1266451282.db2.gz XKTQBSCLZJWDKO-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083102 1266451287 /nfs/dbraw/zinc/45/12/87/1266451287.db2.gz XKTQBSCLZJWDKO-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004377018 1266823295 /nfs/dbraw/zinc/82/32/95/1266823295.db2.gz XTOXGOSLLGVJTL-MOPGFXCFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004377018 1266823309 /nfs/dbraw/zinc/82/33/09/1266823309.db2.gz XTOXGOSLLGVJTL-MOPGFXCFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456319 1267082288 /nfs/dbraw/zinc/08/22/88/1267082288.db2.gz DLUMMOMSMFJEKK-PMACEKPBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456319 1267082296 /nfs/dbraw/zinc/08/22/96/1267082296.db2.gz DLUMMOMSMFJEKK-PMACEKPBSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456778 1267084620 /nfs/dbraw/zinc/08/46/20/1267084620.db2.gz HYTJPQKFMRFVAJ-MOPGFXCFSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456778 1267084631 /nfs/dbraw/zinc/08/46/31/1267084631.db2.gz HYTJPQKFMRFVAJ-MOPGFXCFSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457967 1267092441 /nfs/dbraw/zinc/09/24/41/1267092441.db2.gz MULUAOZGCMTARM-MOPGFXCFSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457967 1267092450 /nfs/dbraw/zinc/09/24/50/1267092450.db2.gz MULUAOZGCMTARM-MOPGFXCFSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623710 1267219283 /nfs/dbraw/zinc/21/92/83/1267219283.db2.gz NSXHKQDOVIOMGJ-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623710 1267219289 /nfs/dbraw/zinc/21/92/89/1267219289.db2.gz NSXHKQDOVIOMGJ-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547026 1267268251 /nfs/dbraw/zinc/26/82/51/1267268251.db2.gz KOXWBAHRKYCJJL-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547026 1267268257 /nfs/dbraw/zinc/26/82/57/1267268257.db2.gz KOXWBAHRKYCJJL-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547591 1267270101 /nfs/dbraw/zinc/27/01/01/1267270101.db2.gz OVNDRFJWKXDXTK-IRXDYDNUSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547591 1267270106 /nfs/dbraw/zinc/27/01/06/1267270106.db2.gz OVNDRFJWKXDXTK-IRXDYDNUSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547589 1267270852 /nfs/dbraw/zinc/27/08/52/1267270852.db2.gz OVNDRFJWKXDXTK-DLBZAZTESA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001004547589 1267270865 /nfs/dbraw/zinc/27/08/65/1267270865.db2.gz OVNDRFJWKXDXTK-DLBZAZTESA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539358 1267279243 /nfs/dbraw/zinc/27/92/43/1267279243.db2.gz DLUBKQOHARFHFF-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539358 1267279252 /nfs/dbraw/zinc/27/92/52/1267279252.db2.gz DLUBKQOHARFHFF-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004620849 1267416530 /nfs/dbraw/zinc/41/65/30/1267416530.db2.gz RLLIDYKSTHRAFH-RBUKOAKNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004620849 1267416534 /nfs/dbraw/zinc/41/65/34/1267416534.db2.gz RLLIDYKSTHRAFH-RBUKOAKNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781751 1268502839 /nfs/dbraw/zinc/50/28/39/1268502839.db2.gz DMZLFFZHHBKTQJ-RTBURBONSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781751 1268502849 /nfs/dbraw/zinc/50/28/49/1268502849.db2.gz DMZLFFZHHBKTQJ-RTBURBONSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001273127198 1268652675 /nfs/dbraw/zinc/65/26/75/1268652675.db2.gz ZKRVBPXXCPSUIP-TZIWHRDSSA-N 1 3 345.531 2.775 20 30 EFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001273127198 1268652680 /nfs/dbraw/zinc/65/26/80/1268652680.db2.gz ZKRVBPXXCPSUIP-TZIWHRDSSA-N 1 3 345.531 2.775 20 30 EFEDHO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001273127197 1268652786 /nfs/dbraw/zinc/65/27/86/1268652786.db2.gz ZKRVBPXXCPSUIP-CTNGQTDRSA-N 1 3 345.531 2.775 20 30 EFEDHO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)CC1 ZINC001273127197 1268652797 /nfs/dbraw/zinc/65/27/97/1268652797.db2.gz ZKRVBPXXCPSUIP-CTNGQTDRSA-N 1 3 345.531 2.775 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946809218 1268792077 /nfs/dbraw/zinc/79/20/77/1268792077.db2.gz ZFXANSCNFQTXCE-OTWHNJEPSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946809218 1268792086 /nfs/dbraw/zinc/79/20/86/1268792086.db2.gz ZFXANSCNFQTXCE-OTWHNJEPSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417627 1269090500 /nfs/dbraw/zinc/09/05/00/1269090500.db2.gz WMIMZOZYHGZQQN-QFBILLFUSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417627 1269090505 /nfs/dbraw/zinc/09/05/05/1269090505.db2.gz WMIMZOZYHGZQQN-QFBILLFUSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986433 1269398342 /nfs/dbraw/zinc/39/83/42/1269398342.db2.gz DMUBMOBRFKJHFZ-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986433 1269398353 /nfs/dbraw/zinc/39/83/53/1269398353.db2.gz DMUBMOBRFKJHFZ-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955289 1270687023 /nfs/dbraw/zinc/68/70/23/1270687023.db2.gz XVYXWXAMGBJZEG-HXUWFJFHSA-N 1 3 343.515 2.903 20 30 EFEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034366648 1271785959 /nfs/dbraw/zinc/78/59/59/1271785959.db2.gz BZKVCJGBRKOVEN-UYAOXDASSA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034366648 1271785967 /nfs/dbraw/zinc/78/59/67/1271785967.db2.gz BZKVCJGBRKOVEN-UYAOXDASSA-N 1 3 345.531 2.778 20 30 EFEDHO C=CCN1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404562 1271909290 /nfs/dbraw/zinc/90/92/90/1271909290.db2.gz KEEMBSKXXXWOMR-LJQANCHMSA-N 1 3 329.488 2.561 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001034796045 1272981400 /nfs/dbraw/zinc/98/14/00/1272981400.db2.gz CKEXRLSZKQJTOQ-WGSAOQKQSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764391 1273467486 /nfs/dbraw/zinc/46/74/86/1273467486.db2.gz KQDGYFVBIPPSLY-JYJNAYRXSA-N 1 3 341.927 2.686 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001005773458 1273519024 /nfs/dbraw/zinc/51/90/24/1273519024.db2.gz RFODUZTTWNVQGX-UHFFFAOYSA-N 1 3 329.488 2.513 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035225386 1273841832 /nfs/dbraw/zinc/84/18/32/1273841832.db2.gz XFGGYNKYAKVFRR-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035225386 1273841841 /nfs/dbraw/zinc/84/18/41/1273841841.db2.gz XFGGYNKYAKVFRR-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238530 1273903423 /nfs/dbraw/zinc/90/34/23/1273903423.db2.gz CMOMGUAWMATYQQ-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238530 1273903431 /nfs/dbraw/zinc/90/34/31/1273903431.db2.gz CMOMGUAWMATYQQ-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109560476 1274418760 /nfs/dbraw/zinc/41/87/60/1274418760.db2.gz BOPMOEQKMZQTMB-QYZOEREBSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109560476 1274418764 /nfs/dbraw/zinc/41/87/64/1274418764.db2.gz BOPMOEQKMZQTMB-QYZOEREBSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035732959 1274422188 /nfs/dbraw/zinc/42/21/88/1274422188.db2.gz JXHJEXVGKJVEOK-ROUUACIJSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035732959 1274422195 /nfs/dbraw/zinc/42/21/95/1274422195.db2.gz JXHJEXVGKJVEOK-ROUUACIJSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035732963 1274422578 /nfs/dbraw/zinc/42/25/78/1274422578.db2.gz JXHJEXVGKJVEOK-ZWKOTPCHSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035732963 1274422584 /nfs/dbraw/zinc/42/25/84/1274422584.db2.gz JXHJEXVGKJVEOK-ZWKOTPCHSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035799531 1274489543 /nfs/dbraw/zinc/48/95/43/1274489543.db2.gz YCDUKWNQSBCJIC-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001035810152 1274540096 /nfs/dbraw/zinc/54/00/96/1274540096.db2.gz HVDIFFKFFGKDPW-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810152 1274540102 /nfs/dbraw/zinc/54/01/02/1274540102.db2.gz HVDIFFKFFGKDPW-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035854914 1274600997 /nfs/dbraw/zinc/60/09/97/1274600997.db2.gz AMLKZNXGMPQDHJ-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035856893 1274605785 /nfs/dbraw/zinc/60/57/85/1274605785.db2.gz FEFUINQLKNHAMI-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548781 1275129054 /nfs/dbraw/zinc/12/90/54/1275129054.db2.gz RIOBRBZKPCKZDD-BJLQDIEVSA-N 1 3 335.536 2.901 20 30 EFEDHO N#CCOc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919996 1276378706 /nfs/dbraw/zinc/37/87/06/1276378706.db2.gz YCLIZKMDQCXFNS-TZIWHRDSSA-N 1 3 349.434 2.934 20 30 EFEDHO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262670 1287384097 /nfs/dbraw/zinc/38/40/97/1287384097.db2.gz JMWAUZLXGFWQCF-YJBOKZPZSA-N 1 3 327.488 2.650 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001091235443 1280202280 /nfs/dbraw/zinc/20/22/80/1280202280.db2.gz ZGWWZUDWKCJXIB-UHFFFAOYSA-N 1 3 349.906 2.641 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001091318810 1280318517 /nfs/dbraw/zinc/31/85/17/1280318517.db2.gz POCLEROIXJGBQB-JCYILVPMSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001091318810 1280318528 /nfs/dbraw/zinc/31/85/28/1280318528.db2.gz POCLEROIXJGBQB-JCYILVPMSA-N 1 3 341.927 2.878 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001146613571 1280952892 /nfs/dbraw/zinc/95/28/92/1280952892.db2.gz UGHRCMJROXFZGD-ZWKOTPCHSA-N 1 3 347.547 2.785 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147835207 1281309845 /nfs/dbraw/zinc/30/98/45/1281309845.db2.gz DVQPUOGLPFOBDC-UHFFFAOYSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147835207 1281309856 /nfs/dbraw/zinc/30/98/56/1281309856.db2.gz DVQPUOGLPFOBDC-UHFFFAOYSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148384684 1281542373 /nfs/dbraw/zinc/54/23/73/1281542373.db2.gz IKXBSVCUWZCXNH-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148384684 1281542382 /nfs/dbraw/zinc/54/23/82/1281542382.db2.gz IKXBSVCUWZCXNH-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001086943252 1281975286 /nfs/dbraw/zinc/97/52/86/1281975286.db2.gz PJSLTDRVDMFJQE-ROUUACIJSA-N 1 3 335.536 2.996 20 30 EFEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947229 1281986905 /nfs/dbraw/zinc/98/69/05/1281986905.db2.gz SCRXQJIQEBFRKY-OALUTQOASA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071204 1282366657 /nfs/dbraw/zinc/36/66/57/1282366657.db2.gz LOSGBIXTGKTSJA-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071204 1282366669 /nfs/dbraw/zinc/36/66/69/1282366669.db2.gz LOSGBIXTGKTSJA-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO N#Cc1ccc2c(c1)[C@@H](NC1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000810217436 1283044923 /nfs/dbraw/zinc/04/49/23/1283044923.db2.gz DJPTWJUPVZUFCA-ICSRJNTNSA-N 1 3 325.456 2.779 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361299 1283784642 /nfs/dbraw/zinc/78/46/42/1283784642.db2.gz JVIIEGOWBWLQTB-RTBURBONSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361299 1283784650 /nfs/dbraw/zinc/78/46/50/1283784650.db2.gz JVIIEGOWBWLQTB-RTBURBONSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093374024 1283819424 /nfs/dbraw/zinc/81/94/24/1283819424.db2.gz XJOBZMMMFKHGED-MSOLQXFVSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093374024 1283819431 /nfs/dbraw/zinc/81/94/31/1283819431.db2.gz XJOBZMMMFKHGED-MSOLQXFVSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117356 1284823595 /nfs/dbraw/zinc/82/35/95/1284823595.db2.gz JPGZBSZZJACEED-HOCLYGCPSA-N 1 3 341.927 2.545 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133121977 1284831506 /nfs/dbraw/zinc/83/15/06/1284831506.db2.gz NCNQZMJGAYCEED-QZTJIDSGSA-N 1 3 335.536 2.759 20 30 EFEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135711 1284850451 /nfs/dbraw/zinc/85/04/51/1284850451.db2.gz VTOVGLFIPGSHMU-IRXDYDNUSA-N 1 3 334.508 2.997 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194474 1284972330 /nfs/dbraw/zinc/97/23/30/1284972330.db2.gz GJYCGWDQKJVBDF-OALUTQOASA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430202 1285072604 /nfs/dbraw/zinc/07/26/04/1285072604.db2.gz HKJTUKPPXLOKNE-QWFCFKBJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430202 1285072609 /nfs/dbraw/zinc/07/26/09/1285072609.db2.gz HKJTUKPPXLOKNE-QWFCFKBJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C)CCC[C@@H]12 ZINC001094450655 1285119503 /nfs/dbraw/zinc/11/95/03/1285119503.db2.gz YATISBBFMSYBIU-LZLYRXPVSA-N 1 3 339.911 2.584 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C)CCC[C@@H]12 ZINC001094450655 1285119514 /nfs/dbraw/zinc/11/95/14/1285119514.db2.gz YATISBBFMSYBIU-LZLYRXPVSA-N 1 3 339.911 2.584 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133336819 1285213786 /nfs/dbraw/zinc/21/37/86/1285213786.db2.gz GBULPOXNAVAJRL-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)N(C)C ZINC001133405524 1285358250 /nfs/dbraw/zinc/35/82/50/1285358250.db2.gz COVNJJOXXUADDE-SFHVURJKSA-N 1 3 349.906 2.622 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902142 1285379580 /nfs/dbraw/zinc/37/95/80/1285379580.db2.gz FTIDTFXQGIFPEI-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902142 1285379586 /nfs/dbraw/zinc/37/95/86/1285379586.db2.gz FTIDTFXQGIFPEI-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902139 1285380807 /nfs/dbraw/zinc/38/08/07/1285380807.db2.gz FTIDTFXQGIFPEI-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902139 1285380814 /nfs/dbraw/zinc/38/08/14/1285380814.db2.gz FTIDTFXQGIFPEI-AZUAARDMSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036903100 1285385898 /nfs/dbraw/zinc/38/58/98/1285385898.db2.gz VOPCOCFVGGXIQZ-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036903100 1285385908 /nfs/dbraw/zinc/38/59/08/1285385908.db2.gz VOPCOCFVGGXIQZ-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161797 1285507503 /nfs/dbraw/zinc/50/75/03/1285507503.db2.gz UBOCUKXRPAXMSH-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161797 1285507512 /nfs/dbraw/zinc/50/75/12/1285507512.db2.gz UBOCUKXRPAXMSH-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001171500243 1285584938 /nfs/dbraw/zinc/58/49/38/1285584938.db2.gz JLAWGLZBXSDUHT-AZUAARDMSA-N 1 3 343.515 2.643 20 30 EFEDHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N)N(C)C ZINC001171508581 1285616323 /nfs/dbraw/zinc/61/63/23/1285616323.db2.gz GIMHPVUNUDITCU-QFBILLFUSA-N 1 3 344.503 2.663 20 30 EFEDHO C[C@@H]1C[C@@H](N2CCC3SC(=O)C=C3C2)C[N@@H+]1Cc1ccccc1 ZINC001171747809 1285760468 /nfs/dbraw/zinc/76/04/68/1285760468.db2.gz BNQKTJNHSQRUIQ-ZTFGCOKTSA-N 1 3 328.481 2.924 20 30 EFEDHO C[C@@H]1C[C@@H](N2CCC3SC(=O)C=C3C2)C[N@H+]1Cc1ccccc1 ZINC001171747809 1285760473 /nfs/dbraw/zinc/76/04/73/1285760473.db2.gz BNQKTJNHSQRUIQ-ZTFGCOKTSA-N 1 3 328.481 2.924 20 30 EFEDHO C#CCOCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977054 1285959890 /nfs/dbraw/zinc/95/98/90/1285959890.db2.gz WSDSBGXDHPBBJL-HXUWFJFHSA-N 1 3 344.499 2.686 20 30 EFEDHO C#CCOCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977054 1285959894 /nfs/dbraw/zinc/95/98/94/1285959894.db2.gz WSDSBGXDHPBBJL-HXUWFJFHSA-N 1 3 344.499 2.686 20 30 EFEDHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3CCC(CC#N)CC3)CC2)C1 ZINC001173341477 1286531308 /nfs/dbraw/zinc/53/13/08/1286531308.db2.gz WRACKOCWUNHSST-LXPRWKDFSA-N 1 3 347.503 2.808 20 30 EFEDHO COC(=O)[C@@H]1CCC[N@H+](C2CCN(C3CCC(CC#N)CC3)CC2)C1 ZINC001173341477 1286531315 /nfs/dbraw/zinc/53/13/15/1286531315.db2.gz WRACKOCWUNHSST-LXPRWKDFSA-N 1 3 347.503 2.808 20 30 EFEDHO C=CCOC1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001173316689 1286537987 /nfs/dbraw/zinc/53/79/87/1286537987.db2.gz LOTDGFOWUASWCX-UHFFFAOYSA-N 1 3 336.520 2.981 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001134774257 1287171969 /nfs/dbraw/zinc/17/19/69/1287171969.db2.gz WWPJSWQRVWOBFT-HZPDHXFCSA-N 1 3 344.503 2.661 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCCC)CC1 ZINC001176738237 1288089027 /nfs/dbraw/zinc/08/90/27/1288089027.db2.gz PUACUNGLRRHJKS-GOSISDBHSA-N 1 3 335.536 2.786 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760168 1288122564 /nfs/dbraw/zinc/12/25/64/1288122564.db2.gz QWRXDZQTWDYJOD-JKSUJKDBSA-N 1 3 329.916 2.878 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001176925762 1288175537 /nfs/dbraw/zinc/17/55/37/1288175537.db2.gz ARATVDYOUMYWDX-OALUTQOASA-N 1 3 347.547 2.644 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001176925763 1288175620 /nfs/dbraw/zinc/17/56/20/1288175620.db2.gz ARATVDYOUMYWDX-RBUKOAKNSA-N 1 3 347.547 2.644 20 30 EFEDHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176948250 1288191524 /nfs/dbraw/zinc/19/15/24/1288191524.db2.gz MNIGPXIPEHKLGW-UHFFFAOYSA-N 1 3 349.478 2.509 20 30 EFEDHO CC[C@H](C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001178816213 1288946039 /nfs/dbraw/zinc/94/60/39/1288946039.db2.gz XHDHGSVXUHIIJB-HXUWFJFHSA-N 1 3 343.515 2.645 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]C[C@@H](C)CC)CC1 ZINC001180360660 1289495124 /nfs/dbraw/zinc/49/51/24/1289495124.db2.gz LWLMMAJIXKHVHD-SFHVURJKSA-N 1 3 335.536 2.644 20 30 EFEDHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001180369767 1289516399 /nfs/dbraw/zinc/51/63/99/1289516399.db2.gz WJSOENCQGRZEOG-UHFFFAOYSA-N 1 3 344.503 2.665 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623368 1290226215 /nfs/dbraw/zinc/22/62/15/1290226215.db2.gz LGNDGDZCYZSMAU-RDTXWAMCSA-N 1 3 343.943 2.791 20 30 EFEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623105 1290226490 /nfs/dbraw/zinc/22/64/90/1290226490.db2.gz BIHBKFPFLFHAJQ-YLJYHZDGSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185167812 1290606640 /nfs/dbraw/zinc/60/66/40/1290606640.db2.gz FJGYSFXDTOEMTO-ROUUACIJSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185168530 1290607213 /nfs/dbraw/zinc/60/72/13/1290607213.db2.gz HIHWAMXJFJFCTK-GOEBONIOSA-N 1 3 341.927 2.545 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185381829 1290661764 /nfs/dbraw/zinc/66/17/64/1290661764.db2.gz SIIVUKMOSMZVKA-MOPGFXCFSA-N 1 3 335.536 2.759 20 30 EFEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186597343 1290995075 /nfs/dbraw/zinc/99/50/75/1290995075.db2.gz HKQIVGRSWGSEAS-GOSISDBHSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186597343 1290995078 /nfs/dbraw/zinc/99/50/78/1290995078.db2.gz HKQIVGRSWGSEAS-GOSISDBHSA-N 1 3 347.547 2.691 20 30 EFEDHO Cn1cncc1N[C@]12CC[C@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277765832 1312862016 /nfs/dbraw/zinc/86/20/16/1312862016.db2.gz SXUKGJCJWIAWCD-RBUKOAKNSA-N 1 3 338.459 2.677 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517134 1291697362 /nfs/dbraw/zinc/69/73/62/1291697362.db2.gz KESHFELGHLAIAR-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957559361 1291764917 /nfs/dbraw/zinc/76/49/17/1291764917.db2.gz GNCQJYDMTATAKT-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957560381 1291766358 /nfs/dbraw/zinc/76/63/58/1291766358.db2.gz XTHFKGMDIPJCTP-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000957602853 1291854673 /nfs/dbraw/zinc/85/46/73/1291854673.db2.gz ISVLQYYZWXGUBN-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605499 1291859617 /nfs/dbraw/zinc/85/96/17/1291859617.db2.gz GEOCWATUIKCWLN-IBGZPJMESA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605446 1291860102 /nfs/dbraw/zinc/86/01/02/1291860102.db2.gz CCRYAHPHTZZQEH-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026823 1293145267 /nfs/dbraw/zinc/14/52/67/1293145267.db2.gz MJCNCKZIVFLJBU-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026823 1293145271 /nfs/dbraw/zinc/14/52/71/1293145271.db2.gz MJCNCKZIVFLJBU-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226862 1293561029 /nfs/dbraw/zinc/56/10/29/1293561029.db2.gz HCACYXVUGGRJFO-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226862 1293561032 /nfs/dbraw/zinc/56/10/32/1293561032.db2.gz HCACYXVUGGRJFO-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001203771803 1313011610 /nfs/dbraw/zinc/01/16/10/1313011610.db2.gz PAUFHFSZMNOUGV-RTBURBONSA-N 1 3 341.499 2.955 20 30 EFEDHO C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565666 1313025577 /nfs/dbraw/zinc/02/55/77/1313025577.db2.gz VYFIPJDJLCJZGL-RTBURBONSA-N 1 3 345.531 2.728 20 30 EFEDHO C#CCCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565666 1313025580 /nfs/dbraw/zinc/02/55/80/1313025580.db2.gz VYFIPJDJLCJZGL-RTBURBONSA-N 1 3 345.531 2.728 20 30 EFEDHO C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565664 1313025729 /nfs/dbraw/zinc/02/57/29/1313025729.db2.gz VYFIPJDJLCJZGL-RBUKOAKNSA-N 1 3 345.531 2.728 20 30 EFEDHO C#CCCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565664 1313025734 /nfs/dbraw/zinc/02/57/34/1313025734.db2.gz VYFIPJDJLCJZGL-RBUKOAKNSA-N 1 3 345.531 2.728 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568777 1313030507 /nfs/dbraw/zinc/03/05/07/1313030507.db2.gz WKFKKJMFFYSJNM-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568777 1313030509 /nfs/dbraw/zinc/03/05/09/1313030509.db2.gz WKFKKJMFFYSJNM-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016982815 1313071281 /nfs/dbraw/zinc/07/12/81/1313071281.db2.gz LZMKMRXVJJAJQM-IBGZPJMESA-N 1 3 341.499 2.909 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCSc1ccc(Cl)cc1 ZINC000303785415 1294581305 /nfs/dbraw/zinc/58/13/05/1294581305.db2.gz QHODZOMODZRLSU-AWEZNQCLSA-N 1 3 340.924 2.821 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1csc(-c2ccccc2)n1 ZINC000303790410 1294581375 /nfs/dbraw/zinc/58/13/75/1294581375.db2.gz WGJCCOSPORSXGT-INIZCTEOSA-N 1 3 343.500 2.699 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccc(Cl)cc1 ZINC000303785416 1294582201 /nfs/dbraw/zinc/58/22/01/1294582201.db2.gz QHODZOMODZRLSU-CQSZACIVSA-N 1 3 340.924 2.821 20 30 EFEDHO CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000303793053 1294583041 /nfs/dbraw/zinc/58/30/41/1294583041.db2.gz YWNVVEMRZBNAPO-UHFFFAOYSA-N 1 3 346.475 2.839 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000303881940 1294598161 /nfs/dbraw/zinc/59/81/61/1294598161.db2.gz HYBQWMZISHJDAB-KGLIPLIRSA-N 1 3 334.464 2.551 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000303881947 1294598230 /nfs/dbraw/zinc/59/82/30/1294598230.db2.gz HYBQWMZISHJDAB-ZIAGYGMSSA-N 1 3 334.464 2.551 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000303907950 1294601546 /nfs/dbraw/zinc/60/15/46/1294601546.db2.gz XGJDSBPCIAMAHQ-ZIAGYGMSSA-N 1 3 334.464 2.693 20 30 EFEDHO C=CCC[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)c1ccccc1OC ZINC001198759976 1295237917 /nfs/dbraw/zinc/23/79/17/1295237917.db2.gz OFJILMOQRPPJTH-SFHVURJKSA-N 1 3 345.487 2.503 20 30 EFEDHO C=CCCC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)c1ccccc1OC ZINC001198776421 1295246943 /nfs/dbraw/zinc/24/69/43/1295246943.db2.gz QYGGMQOITCPOEC-ZWKOTPCHSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCCC[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)c1ccccc1OC ZINC001198776420 1295247759 /nfs/dbraw/zinc/24/77/59/1295247759.db2.gz QYGGMQOITCPOEC-QZTJIDSGSA-N 1 3 347.503 2.749 20 30 EFEDHO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)Oc1ccccc1C ZINC000304757002 1295750430 /nfs/dbraw/zinc/75/04/30/1295750430.db2.gz OIYOUFHNOMBZFV-DLBZAZTESA-N 1 3 332.492 2.541 20 30 EFEDHO CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)Oc1ccccc1C ZINC000304757008 1295751547 /nfs/dbraw/zinc/75/15/47/1295751547.db2.gz OIYOUFHNOMBZFV-SJORKVTESA-N 1 3 332.492 2.541 20 30 EFEDHO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCCN2CC)C12CCCCC2 ZINC000304805967 1295760964 /nfs/dbraw/zinc/76/09/64/1295760964.db2.gz RSTXQOBAWYGTNO-BRWVUGGUSA-N 1 3 336.524 2.503 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000960301597 1296718884 /nfs/dbraw/zinc/71/88/84/1296718884.db2.gz XUJYDEXRFBMAON-DFQSSKMNSA-N 1 3 341.499 2.666 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000960301597 1296718891 /nfs/dbraw/zinc/71/88/91/1296718891.db2.gz XUJYDEXRFBMAON-DFQSSKMNSA-N 1 3 341.499 2.666 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000960301599 1296719560 /nfs/dbraw/zinc/71/95/60/1296719560.db2.gz XUJYDEXRFBMAON-MISYRCLQSA-N 1 3 341.499 2.666 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000960301599 1296719565 /nfs/dbraw/zinc/71/95/65/1296719565.db2.gz XUJYDEXRFBMAON-MISYRCLQSA-N 1 3 341.499 2.666 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001205654283 1313331690 /nfs/dbraw/zinc/33/16/90/1313331690.db2.gz ZWCHRGSKGRHHLP-UHOSZYNNSA-N 1 3 347.478 2.626 20 30 EFEDHO N#CCCCC[N@@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277947970 1313333079 /nfs/dbraw/zinc/33/30/79/1313333079.db2.gz CHWNASOKZJPDIZ-CALCHBBNSA-N 1 3 328.460 2.625 20 30 EFEDHO N#CCCCC[N@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277947970 1313333083 /nfs/dbraw/zinc/33/30/83/1313333083.db2.gz CHWNASOKZJPDIZ-CALCHBBNSA-N 1 3 328.460 2.625 20 30 EFEDHO Cc1cc(CN2CCC3(C2)CC[NH+](CCCCC#N)CC3)n(C)n1 ZINC001277951174 1313343379 /nfs/dbraw/zinc/34/33/79/1313343379.db2.gz GBBCKCLLSIBEOW-UHFFFAOYSA-N 1 3 329.492 2.710 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2Cl)CC1 ZINC000305640163 1297607987 /nfs/dbraw/zinc/60/79/87/1297607987.db2.gz BAZAHDMORLXMTH-AWEZNQCLSA-N 1 3 334.895 2.760 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549755 1313408895 /nfs/dbraw/zinc/40/88/95/1313408895.db2.gz LRKOCHYKAGHMBC-MKXGPGLRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549755 1313408898 /nfs/dbraw/zinc/40/88/98/1313408898.db2.gz LRKOCHYKAGHMBC-MKXGPGLRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)CC1 ZINC001236038171 1313432761 /nfs/dbraw/zinc/43/27/61/1313432761.db2.gz OIKSGGGLKSOXMY-QWFCFKBJSA-N 1 3 332.488 2.764 20 30 EFEDHO [NH3+]C1CN([C@@H]2CCCN(Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236073410 1313437918 /nfs/dbraw/zinc/43/79/18/1313437918.db2.gz MTSZLLGAMCHEBK-HSZRJFAPSA-N 1 3 345.490 2.694 20 30 EFEDHO C=C(C)C[NH+]1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001006435821 1298059760 /nfs/dbraw/zinc/05/97/60/1298059760.db2.gz SHSLJLFBMAVNQN-UHFFFAOYSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189205 1298274997 /nfs/dbraw/zinc/27/49/97/1298274997.db2.gz YKLNGVGRVNAGRF-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189205 1298275009 /nfs/dbraw/zinc/27/50/09/1298275009.db2.gz YKLNGVGRVNAGRF-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230156 1298372378 /nfs/dbraw/zinc/37/23/78/1298372378.db2.gz KPDZTPLTQAFKIB-MOPGFXCFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230156 1298372389 /nfs/dbraw/zinc/37/23/89/1298372389.db2.gz KPDZTPLTQAFKIB-MOPGFXCFSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961372907 1298635505 /nfs/dbraw/zinc/63/55/05/1298635505.db2.gz FABTYHWPJJKRQP-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961372907 1298635515 /nfs/dbraw/zinc/63/55/15/1298635515.db2.gz FABTYHWPJJKRQP-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO 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EFEDHO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209448347 1314164316 /nfs/dbraw/zinc/16/43/16/1314164316.db2.gz PCIAQEFXQQFGCA-HXUWFJFHSA-N 1 3 349.519 2.973 20 30 EFEDHO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209448347 1314164318 /nfs/dbraw/zinc/16/43/18/1314164318.db2.gz PCIAQEFXQQFGCA-HXUWFJFHSA-N 1 3 349.519 2.973 20 30 EFEDHO C=CCN1C(=O)CC[C@@]12CCCN(CCC[NH+]1CCCCC1)CC2 ZINC001209451485 1314165424 /nfs/dbraw/zinc/16/54/24/1314165424.db2.gz XVAKZIFWUYYSPZ-HXUWFJFHSA-N 1 3 333.520 2.896 20 30 EFEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045936166 1307935109 /nfs/dbraw/zinc/93/51/09/1307935109.db2.gz BCESGCGYDCTYII-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045936166 1307935112 /nfs/dbraw/zinc/93/51/12/1307935112.db2.gz BCESGCGYDCTYII-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045942448 1307954056 /nfs/dbraw/zinc/95/40/56/1307954056.db2.gz XPVSFPCBQHZTDL-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001045942448 1307954058 /nfs/dbraw/zinc/95/40/58/1307954058.db2.gz XPVSFPCBQHZTDL-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942466 1307954304 /nfs/dbraw/zinc/95/43/04/1307954304.db2.gz YBKAMRIFOSZTKM-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942466 1307954309 /nfs/dbraw/zinc/95/43/09/1307954309.db2.gz YBKAMRIFOSZTKM-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008278203 1307956099 /nfs/dbraw/zinc/95/60/99/1307956099.db2.gz VZSHXZFSZAVFCT-MJGOQNOKSA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCCN1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008278203 1307956104 /nfs/dbraw/zinc/95/61/04/1307956104.db2.gz VZSHXZFSZAVFCT-MJGOQNOKSA-N 1 3 333.520 2.940 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943061 1307956602 /nfs/dbraw/zinc/95/66/02/1307956602.db2.gz FVNCWNCWQVERRN-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943061 1307956607 /nfs/dbraw/zinc/95/66/07/1307956607.db2.gz FVNCWNCWQVERRN-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943455 1307956733 /nfs/dbraw/zinc/95/67/33/1307956733.db2.gz IQOUDKCNADILSB-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943455 1307956741 /nfs/dbraw/zinc/95/67/41/1307956741.db2.gz IQOUDKCNADILSB-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943739 1307959126 /nfs/dbraw/zinc/95/91/26/1307959126.db2.gz NSZWSOQDIPHSRA-FPOVZHCZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943739 1307959130 /nfs/dbraw/zinc/95/91/30/1307959130.db2.gz NSZWSOQDIPHSRA-FPOVZHCZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943741 1307959151 /nfs/dbraw/zinc/95/91/51/1307959151.db2.gz NSZWSOQDIPHSRA-TZIWHRDSSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943741 1307959155 /nfs/dbraw/zinc/95/91/55/1307959155.db2.gz NSZWSOQDIPHSRA-TZIWHRDSSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943769 1307959309 /nfs/dbraw/zinc/95/93/09/1307959309.db2.gz OMPGSOWQNVEXPB-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943769 1307959316 /nfs/dbraw/zinc/95/93/16/1307959316.db2.gz OMPGSOWQNVEXPB-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945164 1307963283 /nfs/dbraw/zinc/96/32/83/1307963283.db2.gz NUEVKUWBHCAZHS-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945164 1307963287 /nfs/dbraw/zinc/96/32/87/1307963287.db2.gz NUEVKUWBHCAZHS-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945510 1307964813 /nfs/dbraw/zinc/96/48/13/1307964813.db2.gz UMFABIQPQPQDFC-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945510 1307964809 /nfs/dbraw/zinc/96/48/09/1307964809.db2.gz UMFABIQPQPQDFC-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945722 1307965699 /nfs/dbraw/zinc/96/56/99/1307965699.db2.gz YDUZJHGHHOSHRA-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945722 1307965705 /nfs/dbraw/zinc/96/57/05/1307965705.db2.gz YDUZJHGHHOSHRA-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969820 1308033650 /nfs/dbraw/zinc/03/36/50/1308033650.db2.gz ZTHPLCBNGSHJMM-IBGZPJMESA-N 1 3 330.476 2.623 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969820 1308033653 /nfs/dbraw/zinc/03/36/53/1308033653.db2.gz ZTHPLCBNGSHJMM-IBGZPJMESA-N 1 3 330.476 2.623 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045973857 1308044148 /nfs/dbraw/zinc/04/41/48/1308044148.db2.gz VZPLZPAEMFHEKM-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510438 1308125757 /nfs/dbraw/zinc/12/57/57/1308125757.db2.gz PXKAXBZRFSVHQQ-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510438 1308125759 /nfs/dbraw/zinc/12/57/59/1308125759.db2.gz PXKAXBZRFSVHQQ-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319511 1308536731 /nfs/dbraw/zinc/53/67/31/1308536731.db2.gz SZKRGCFDNMSOAB-XLIONFOSSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319511 1308536734 /nfs/dbraw/zinc/53/67/34/1308536734.db2.gz SZKRGCFDNMSOAB-XLIONFOSSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701375 1314310732 /nfs/dbraw/zinc/31/07/32/1314310732.db2.gz FCLQZHFENHKVEX-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701375 1314310736 /nfs/dbraw/zinc/31/07/36/1314310736.db2.gz FCLQZHFENHKVEX-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047242024 1310393336 /nfs/dbraw/zinc/39/33/36/1310393336.db2.gz AJTWHDJQAGBCFO-PMACEKPBSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047243300 1310397106 /nfs/dbraw/zinc/39/71/06/1310397106.db2.gz JXLSHYCXLZGQEW-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047244450 1310400174 /nfs/dbraw/zinc/40/01/74/1310400174.db2.gz RWKGZCZYNPKRTN-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047244473 1310400594 /nfs/dbraw/zinc/40/05/94/1310400594.db2.gz SIHADOJNDARQLQ-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848328 1311042407 /nfs/dbraw/zinc/04/24/07/1311042407.db2.gz KOKICTZYZVQMQH-CEXWTWQISA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848328 1311042410 /nfs/dbraw/zinc/04/24/10/1311042410.db2.gz KOKICTZYZVQMQH-CEXWTWQISA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848329 1311042932 /nfs/dbraw/zinc/04/29/32/1311042932.db2.gz KOKICTZYZVQMQH-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848329 1311042935 /nfs/dbraw/zinc/04/29/35/1311042935.db2.gz KOKICTZYZVQMQH-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001099490166 1311097261 /nfs/dbraw/zinc/09/72/61/1311097261.db2.gz QMTCGESUFOEAQA-FFGOWVMKSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001099490166 1311097264 /nfs/dbraw/zinc/09/72/64/1311097264.db2.gz QMTCGESUFOEAQA-FFGOWVMKSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCCCCCCCC[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521349 1311146437 /nfs/dbraw/zinc/14/64/37/1311146437.db2.gz REPNOZXSMYAKJW-FQEVSTJZSA-N 1 3 333.520 2.705 20 30 EFEDHO C=CCCCCCCCCC[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001222521349 1311146439 /nfs/dbraw/zinc/14/64/39/1311146439.db2.gz REPNOZXSMYAKJW-FQEVSTJZSA-N 1 3 333.520 2.705 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223182177 1311227200 /nfs/dbraw/zinc/22/72/00/1311227200.db2.gz YOIWWLOVRLOFAA-HOJAQTOUSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223182177 1311227203 /nfs/dbraw/zinc/22/72/03/1311227203.db2.gz YOIWWLOVRLOFAA-HOJAQTOUSA-N 1 3 345.531 2.750 20 30 EFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223193726 1311228393 /nfs/dbraw/zinc/22/83/93/1311228393.db2.gz RWEBJDPHMAGBFK-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]21 ZINC001223193726 1311228394 /nfs/dbraw/zinc/22/83/94/1311228394.db2.gz RWEBJDPHMAGBFK-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489453 1311267787 /nfs/dbraw/zinc/26/77/87/1311267787.db2.gz PNOAPEAVSGCYDJ-QYZOEREBSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489453 1311267789 /nfs/dbraw/zinc/26/77/89/1311267789.db2.gz PNOAPEAVSGCYDJ-QYZOEREBSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151221 1311714560 /nfs/dbraw/zinc/71/45/60/1311714560.db2.gz DQAJPOWGTSKZED-XLIONFOSSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCCCCN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277152789 1311717579 /nfs/dbraw/zinc/71/75/79/1311717579.db2.gz VJZFUGIJFDGNQV-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048525940 1311861750 /nfs/dbraw/zinc/86/17/50/1311861750.db2.gz GSWSAEOJVZOFFZ-FCGDIQPGSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048525940 1311861752 /nfs/dbraw/zinc/86/17/52/1311861752.db2.gz GSWSAEOJVZOFFZ-FCGDIQPGSA-N 1 3 333.520 2.795 20 30 EFEDHO CC#CCCCCCCCC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161445057 1311891485 /nfs/dbraw/zinc/89/14/85/1311891485.db2.gz MSTRYRSCMWJXDX-IBGZPJMESA-N 1 3 335.536 2.883 20 30 EFEDHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572229 1311920178 /nfs/dbraw/zinc/92/01/78/1311920178.db2.gz COFMLYRVJYZNPR-IYWMVGAKSA-N 1 3 345.531 2.632 20 30 EFEDHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572229 1311920180 /nfs/dbraw/zinc/92/01/80/1311920180.db2.gz COFMLYRVJYZNPR-IYWMVGAKSA-N 1 3 345.531 2.632 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228558927 1311964857 /nfs/dbraw/zinc/96/48/57/1311964857.db2.gz IGRAQIUWORBVLK-BZUAXINKSA-N 1 3 329.916 2.876 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785324 1311971571 /nfs/dbraw/zinc/97/15/71/1311971571.db2.gz MJCIPFSKZSJMGX-HNNXBMFYSA-N 1 3 330.476 2.754 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785324 1311971574 /nfs/dbraw/zinc/97/15/74/1311971574.db2.gz MJCIPFSKZSJMGX-HNNXBMFYSA-N 1 3 330.476 2.754 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832360 1312186358 /nfs/dbraw/zinc/18/63/58/1312186358.db2.gz PMPCWZHHRLDARV-UHFFFAOYSA-N 1 3 343.515 2.708 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162959856 1312212495 /nfs/dbraw/zinc/21/24/95/1312212495.db2.gz CONGGSAUDSVGJG-UHFFFAOYSA-N 1 3 331.504 2.565 20 30 EFEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001163006638 1312224325 /nfs/dbraw/zinc/22/43/25/1312224325.db2.gz HDOCLWMTKIVOKC-HXUWFJFHSA-N 1 3 343.515 2.708 20 30 EFEDHO C=CCCC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001230360315 1312228896 /nfs/dbraw/zinc/22/88/96/1312228896.db2.gz WXUGEUQYKPVTBK-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230604870 1312280906 /nfs/dbraw/zinc/28/09/06/1312280906.db2.gz JZZNBLKHXBIBJY-LJQANCHMSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230604870 1312280909 /nfs/dbraw/zinc/28/09/09/1312280909.db2.gz JZZNBLKHXBIBJY-LJQANCHMSA-N 1 3 347.547 2.691 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230623408 1312288738 /nfs/dbraw/zinc/28/87/38/1312288738.db2.gz XFMJKSWKVCGBSU-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230623408 1312288741 /nfs/dbraw/zinc/28/87/41/1312288741.db2.gz XFMJKSWKVCGBSU-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871291 1312375707 /nfs/dbraw/zinc/37/57/07/1312375707.db2.gz AQHRXAVUIYBXBQ-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=C(C)CC[N@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871291 1312375710 /nfs/dbraw/zinc/37/57/10/1312375710.db2.gz AQHRXAVUIYBXBQ-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=C(C)CC[N@@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230905136 1312386523 /nfs/dbraw/zinc/38/65/23/1312386523.db2.gz BAQHFFHKSLOFTC-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=C(C)CC[N@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230905136 1312386527 /nfs/dbraw/zinc/38/65/27/1312386527.db2.gz BAQHFFHKSLOFTC-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=C(C)CN(CCCNC(=O)CC[N@@H+](C)CCC)Cc1cccnc1 ZINC001230905223 1312386859 /nfs/dbraw/zinc/38/68/59/1312386859.db2.gz DPSQDBZGRVEABS-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=C(C)CN(CCCNC(=O)CC[N@H+](C)CCC)Cc1cccnc1 ZINC001230905223 1312386863 /nfs/dbraw/zinc/38/68/63/1312386863.db2.gz DPSQDBZGRVEABS-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC/C=C/CCC)C[C@H]2C)CC1 ZINC001211307044 1314472798 /nfs/dbraw/zinc/47/27/98/1314472798.db2.gz MZUPYSSMHOTEER-PORCLINASA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CCC)C[C@H]2C)CC1 ZINC001211307044 1314472802 /nfs/dbraw/zinc/47/28/02/1314472802.db2.gz MZUPYSSMHOTEER-PORCLINASA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052952416 1314511555 /nfs/dbraw/zinc/51/15/55/1314511555.db2.gz DLSMQUXJLQRFTE-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052952416 1314511561 /nfs/dbraw/zinc/51/15/61/1314511561.db2.gz DLSMQUXJLQRFTE-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO CCCCCCCC[C@H](O)CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246025195 1314567566 /nfs/dbraw/zinc/56/75/66/1314567566.db2.gz GLTFQCTZMGEKLW-OALUTQOASA-N 1 3 325.541 2.515 20 30 EFEDHO C#Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)cc1 ZINC001278436813 1314600315 /nfs/dbraw/zinc/60/03/15/1314600315.db2.gz WOQFWKMWMRRIRR-JOCHJYFZSA-N 1 3 348.494 2.853 20 30 EFEDHO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CCn4ccnc4)C3)C2)cc1 ZINC001278436813 1314600318 /nfs/dbraw/zinc/60/03/18/1314600318.db2.gz WOQFWKMWMRRIRR-JOCHJYFZSA-N 1 3 348.494 2.853 20 30 EFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765212 1314600834 /nfs/dbraw/zinc/60/08/34/1314600834.db2.gz ZPSQEVAKGZLIIE-QZTJIDSGSA-N 1 3 341.540 2.504 20 30 EFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765212 1314600838 /nfs/dbraw/zinc/60/08/38/1314600838.db2.gz ZPSQEVAKGZLIIE-QZTJIDSGSA-N 1 3 341.540 2.504 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029932 1314602835 /nfs/dbraw/zinc/60/28/35/1314602835.db2.gz YLTOQVQBOVIGAO-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029932 1314602840 /nfs/dbraw/zinc/60/28/40/1314602840.db2.gz YLTOQVQBOVIGAO-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC001246527129 1314642034 /nfs/dbraw/zinc/64/20/34/1314642034.db2.gz SJMVDCRGZWWMSX-DLBZAZTESA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)C1 ZINC001246527129 1314642037 /nfs/dbraw/zinc/64/20/37/1314642037.db2.gz SJMVDCRGZWWMSX-DLBZAZTESA-N 1 3 335.492 2.628 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087930 1314694920 /nfs/dbraw/zinc/69/49/20/1314694920.db2.gz PBZVUPUXRGIBLH-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087930 1314694925 /nfs/dbraw/zinc/69/49/25/1314694925.db2.gz PBZVUPUXRGIBLH-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087929 1314695297 /nfs/dbraw/zinc/69/52/97/1314695297.db2.gz PBZVUPUXRGIBLH-ICSRJNTNSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087929 1314695302 /nfs/dbraw/zinc/69/53/02/1314695302.db2.gz PBZVUPUXRGIBLH-ICSRJNTNSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088197 1314695719 /nfs/dbraw/zinc/69/57/19/1314695719.db2.gz QUXBBDKTFUNPSD-UYAOXDASSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088197 1314695724 /nfs/dbraw/zinc/69/57/24/1314695724.db2.gz QUXBBDKTFUNPSD-UYAOXDASSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103960 1314723828 /nfs/dbraw/zinc/72/38/28/1314723828.db2.gz BEBKUOXNBRXBHX-PMACEKPBSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842408 1315014413 /nfs/dbraw/zinc/01/44/13/1315014413.db2.gz BNDQHRRXTMXHKQ-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C1CC[NH2+]C[C@H]1OC[C@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001217833735 1315116226 /nfs/dbraw/zinc/11/62/26/1315116226.db2.gz YZKYVRRUBBHMLB-CTNGQTDRSA-N 1 3 344.499 2.991 20 30 EFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001218548963 1315213839 /nfs/dbraw/zinc/21/38/39/1315213839.db2.gz ROXBNHKRMYRNHO-AWEZNQCLSA-N 1 3 334.489 2.543 20 30 EFEDHO N#Cc1c(NC(=O)CC2(C[NH3+])CCCCC2)sc2c1CCNC2 ZINC001218552444 1315215144 /nfs/dbraw/zinc/21/51/44/1315215144.db2.gz GLKPCRWSSUCHBB-UHFFFAOYSA-N 1 3 332.473 2.503 20 30 EFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001218910231 1315258301 /nfs/dbraw/zinc/25/83/01/1315258301.db2.gz GLQBMXMCXGUENI-ZDUSSCGKSA-N 1 3 345.472 2.602 20 30 EFEDHO C=CCCCCC[C@H](N)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219532629 1315320949 /nfs/dbraw/zinc/32/09/49/1315320949.db2.gz BKHJUOGKHWLKPM-JKIFEVAISA-N 1 3 329.444 2.537 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132806 1315342379 /nfs/dbraw/zinc/34/23/79/1315342379.db2.gz ORIJLCBDDBFELH-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132806 1315342384 /nfs/dbraw/zinc/34/23/84/1315342384.db2.gz ORIJLCBDDBFELH-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132900 1315343583 /nfs/dbraw/zinc/34/35/83/1315343583.db2.gz RHMRKSPQOGJOKZ-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132900 1315343586 /nfs/dbraw/zinc/34/35/86/1315343586.db2.gz RHMRKSPQOGJOKZ-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141384 1315356319 /nfs/dbraw/zinc/35/63/19/1315356319.db2.gz KGXTXOINKDNIFJ-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141384 1315356322 /nfs/dbraw/zinc/35/63/22/1315356322.db2.gz KGXTXOINKDNIFJ-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145233 1315363908 /nfs/dbraw/zinc/36/39/08/1315363908.db2.gz NKBUBHZQCDDBMR-AZUAARDMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145233 1315363913 /nfs/dbraw/zinc/36/39/13/1315363913.db2.gz NKBUBHZQCDDBMR-AZUAARDMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C[C@](C)(O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001252552191 1315466603 /nfs/dbraw/zinc/46/66/03/1315466603.db2.gz HQTFTIHCZWMKRU-PMACEKPBSA-N 1 3 344.499 2.679 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135715 1315520426 /nfs/dbraw/zinc/52/04/26/1315520426.db2.gz IGMNZKNQSNNAOY-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039135715 1315520427 /nfs/dbraw/zinc/52/04/27/1315520427.db2.gz IGMNZKNQSNNAOY-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163585 1315562089 /nfs/dbraw/zinc/56/20/89/1315562089.db2.gz CWOFCVAGJFURRY-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163585 1315562093 /nfs/dbraw/zinc/56/20/93/1315562093.db2.gz CWOFCVAGJFURRY-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214740 1315631785 /nfs/dbraw/zinc/63/17/85/1315631785.db2.gz QAVJONSSJCMNQG-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214740 1315631789 /nfs/dbraw/zinc/63/17/89/1315631789.db2.gz QAVJONSSJCMNQG-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228591 1315650859 /nfs/dbraw/zinc/65/08/59/1315650859.db2.gz GJLWBRQANPREMP-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228591 1315650864 /nfs/dbraw/zinc/65/08/64/1315650864.db2.gz GJLWBRQANPREMP-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235512 1315659729 /nfs/dbraw/zinc/65/97/29/1315659729.db2.gz XZMHZBNXGWHYDQ-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235512 1315659733 /nfs/dbraw/zinc/65/97/33/1315659733.db2.gz XZMHZBNXGWHYDQ-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)N(C)C ZINC001039294269 1315705608 /nfs/dbraw/zinc/70/56/08/1315705608.db2.gz ROGJNCKBIDQCLJ-NPYXIHBLSA-N 1 3 341.927 2.827 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC[C@H]1C ZINC001039298085 1315707249 /nfs/dbraw/zinc/70/72/49/1315707249.db2.gz JKKGVKXAHWNMPJ-MGNMYUMUSA-N 1 3 339.911 2.725 20 30 EFEDHO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCCN(C)CC1)CC2 ZINC001254516203 1315712487 /nfs/dbraw/zinc/71/24/87/1315712487.db2.gz KGVJNEKMDZTZEX-SFHVURJKSA-N 1 3 349.519 2.971 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039447863 1315797392 /nfs/dbraw/zinc/79/73/92/1315797392.db2.gz MZNGKGMMYQFRNS-CEXWTWQISA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039447863 1315797394 /nfs/dbraw/zinc/79/73/94/1315797394.db2.gz MZNGKGMMYQFRNS-CEXWTWQISA-N 1 3 333.520 2.891 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040240774 1316160558 /nfs/dbraw/zinc/16/05/58/1316160558.db2.gz JJKHJEBFHNZCOW-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040240774 1316160562 /nfs/dbraw/zinc/16/05/62/1316160562.db2.gz JJKHJEBFHNZCOW-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258717156 1316173288 /nfs/dbraw/zinc/17/32/88/1316173288.db2.gz JGBUPWYLDRZGNC-HKUYNNGSSA-N 1 3 343.515 2.746 20 30 EFEDHO C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040271971 1316177855 /nfs/dbraw/zinc/17/78/55/1316177855.db2.gz WBURCXHZDKVPPZ-NRFANRHFSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040271971 1316177858 /nfs/dbraw/zinc/17/78/58/1316177858.db2.gz WBURCXHZDKVPPZ-NRFANRHFSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001040703377 1316355016 /nfs/dbraw/zinc/35/50/16/1316355016.db2.gz CKVMEPHYQXMCOT-UHFFFAOYSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040846475 1316387828 /nfs/dbraw/zinc/38/78/28/1316387828.db2.gz BSMYJAZAPXEMCM-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001040874125 1316393878 /nfs/dbraw/zinc/39/38/78/1316393878.db2.gz CTFFSELEWIWCOV-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C#Cc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001261173593 1316394712 /nfs/dbraw/zinc/39/47/12/1316394712.db2.gz QXMWVJZHAUKQIP-UHFFFAOYSA-N 1 3 333.479 2.705 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723424 1316665426 /nfs/dbraw/zinc/66/54/26/1316665426.db2.gz HYSSHXNWEMORQN-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723424 1316665429 /nfs/dbraw/zinc/66/54/29/1316665429.db2.gz HYSSHXNWEMORQN-QUCCMNQESA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]21 ZINC001042122640 1316894716 /nfs/dbraw/zinc/89/47/16/1316894716.db2.gz ACPWCVRWUNDVJU-FUHWJXTLSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042122640 1316894718 /nfs/dbraw/zinc/89/47/18/1316894718.db2.gz ACPWCVRWUNDVJU-FUHWJXTLSA-N 1 3 333.520 2.748 20 30 EFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125503 1316896740 /nfs/dbraw/zinc/89/67/40/1316896740.db2.gz UZYNDCSGNXVXRB-MJGOQNOKSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125503 1316896741 /nfs/dbraw/zinc/89/67/41/1316896741.db2.gz UZYNDCSGNXVXRB-MJGOQNOKSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001042234207 1316997138 /nfs/dbraw/zinc/99/71/38/1316997138.db2.gz LBJHJQMQLLXYMC-QUCCMNQESA-N 1 3 341.499 2.513 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042315023 1317139239 /nfs/dbraw/zinc/13/92/39/1317139239.db2.gz YRAVAEOOMNNAEN-CVEARBPZSA-N 1 3 330.476 2.576 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042315023 1317139246 /nfs/dbraw/zinc/13/92/46/1317139246.db2.gz YRAVAEOOMNNAEN-CVEARBPZSA-N 1 3 330.476 2.576 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3CC2)cc1C#N ZINC001279172435 1317203172 /nfs/dbraw/zinc/20/31/72/1317203172.db2.gz BGNNOMGCOJQGSQ-KDURUIRLSA-N 1 3 349.482 2.636 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3CC2)cc1C#N ZINC001279172435 1317203178 /nfs/dbraw/zinc/20/31/78/1317203178.db2.gz BGNNOMGCOJQGSQ-KDURUIRLSA-N 1 3 349.482 2.636 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368124 1317223275 /nfs/dbraw/zinc/22/32/75/1317223275.db2.gz ODHCINKOBPYDJU-FXAWDEMLSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042368124 1317223282 /nfs/dbraw/zinc/22/32/82/1317223282.db2.gz ODHCINKOBPYDJU-FXAWDEMLSA-N 1 3 341.499 2.861 20 30 EFEDHO C#Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)c1 ZINC001279302073 1317229910 /nfs/dbraw/zinc/22/99/10/1317229910.db2.gz VKEFTSZUUAWBBE-QFIPXVFZSA-N 1 3 348.494 2.853 20 30 EFEDHO C#Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(CCn4ccnc4)C3)C2)c1 ZINC001279302073 1317229916 /nfs/dbraw/zinc/22/99/16/1317229916.db2.gz VKEFTSZUUAWBBE-QFIPXVFZSA-N 1 3 348.494 2.853 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001354474244 1334321121 /nfs/dbraw/zinc/32/11/21/1334321121.db2.gz HKWLQOIVFKRCEH-NEWSRXKRSA-N 1 3 329.488 2.554 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001354474244 1334321126 /nfs/dbraw/zinc/32/11/26/1334321126.db2.gz HKWLQOIVFKRCEH-NEWSRXKRSA-N 1 3 329.488 2.554 20 30 EFEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001357571866 1335317344 /nfs/dbraw/zinc/31/73/44/1335317344.db2.gz CGAPWEBVKMRDQN-IBGZPJMESA-N 1 3 344.503 2.839 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001091160953 1335727595 /nfs/dbraw/zinc/72/75/95/1335727595.db2.gz BJUUPALTKMRBMP-UHFFFAOYSA-N 1 3 349.906 2.641 20 30 EFEDHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001368777491 1339703742 /nfs/dbraw/zinc/70/37/42/1339703742.db2.gz WUIXMHBDVVNTRY-HNNXBMFYSA-N 1 3 329.916 2.688 20 30 EFEDHO C=C(Cl)CNC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001368777491 1339703745 /nfs/dbraw/zinc/70/37/45/1339703745.db2.gz WUIXMHBDVVNTRY-HNNXBMFYSA-N 1 3 329.916 2.688 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001370491439 1340100735 /nfs/dbraw/zinc/10/07/35/1340100735.db2.gz GCBFZHHKCXONJV-SHTZXODSSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001370491439 1340100738 /nfs/dbraw/zinc/10/07/38/1340100738.db2.gz GCBFZHHKCXONJV-SHTZXODSSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CCCC1 ZINC001392011835 1355713279 /nfs/dbraw/zinc/71/32/79/1355713279.db2.gz ZDKRFRHNDLJAKC-HNNXBMFYSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001392011835 1355713283 /nfs/dbraw/zinc/71/32/83/1355713283.db2.gz ZDKRFRHNDLJAKC-HNNXBMFYSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001374571756 1342083504 /nfs/dbraw/zinc/08/35/04/1342083504.db2.gz RTJXMEXBVDBVRW-MSOLQXFVSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001377963546 1344620250 /nfs/dbraw/zinc/62/02/50/1344620250.db2.gz VXDOZSYIAXSVNE-UHFFFAOYSA-N 1 3 331.932 2.791 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928964 1345434376 /nfs/dbraw/zinc/43/43/76/1345434376.db2.gz SOOCDPHONYFBOD-NVXWUHKLSA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001388727518 1352954857 /nfs/dbraw/zinc/95/48/57/1352954857.db2.gz WQXJHYRLNVXWQE-WKILWMFISA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390616188 1354212142 /nfs/dbraw/zinc/21/21/42/1354212142.db2.gz QAKNJFAFYRCXSX-CABCVRRESA-N 1 3 329.916 2.734 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001436676410 1387279504 /nfs/dbraw/zinc/27/95/04/1387279504.db2.gz XFVZUJSAZSEZGJ-JKSUJKDBSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001436676410 1387279510 /nfs/dbraw/zinc/27/95/10/1387279510.db2.gz XFVZUJSAZSEZGJ-JKSUJKDBSA-N 1 3 329.916 2.830 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001401302032 1362647344 /nfs/dbraw/zinc/64/73/44/1362647344.db2.gz VKLAASNQFMKFKS-HIFRSBDPSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)CN[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001406041185 1367132174 /nfs/dbraw/zinc/13/21/74/1367132174.db2.gz IYGBUHUHAVKARP-QGZVFWFLSA-N 1 3 337.895 2.845 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001407552467 1368976310 /nfs/dbraw/zinc/97/63/10/1368976310.db2.gz UCPFFCXVPAXPOG-HUUCEWRRSA-N 1 3 329.916 2.543 20 30 EFEDHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001438336827 1388516773 /nfs/dbraw/zinc/51/67/73/1388516773.db2.gz PNRACUDIXGZLKH-SFHVURJKSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001438430879 1388592762 /nfs/dbraw/zinc/59/27/62/1388592762.db2.gz DNXZFXARFTVJEE-KSSFIOAISA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001440126611 1389399342 /nfs/dbraw/zinc/39/93/42/1389399342.db2.gz AKGWHTXHIUTJIB-BRWVUGGUSA-N 1 3 343.943 2.837 20 30 EFEDHO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CN(C)CCC)CC2)CC1 ZINC001503763947 1404507862 /nfs/dbraw/zinc/50/78/62/1404507862.db2.gz KFZZTRKIRRPOMD-UHFFFAOYSA-N 1 3 341.927 2.785 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC(C)C)CC1 ZINC000969155978 712942566 /nfs/dbraw/zinc/94/25/66/712942566.db2.gz GKSQZWNRIBHDBL-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(C)C)CC1 ZINC000969155978 712942567 /nfs/dbraw/zinc/94/25/67/712942567.db2.gz GKSQZWNRIBHDBL-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO CC#CCN1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156478 712945234 /nfs/dbraw/zinc/94/52/34/712945234.db2.gz UCSGVZASTXMTEC-IBGZPJMESA-N 1 3 341.499 2.746 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326000 713635845 /nfs/dbraw/zinc/63/58/45/713635845.db2.gz LWQXDMSEVXYMOU-VQIMIIECSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326000 713635848 /nfs/dbraw/zinc/63/58/48/713635848.db2.gz LWQXDMSEVXYMOU-VQIMIIECSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977641529 716433721 /nfs/dbraw/zinc/43/37/21/716433721.db2.gz NXFAOYQTHXMATD-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692264 716539484 /nfs/dbraw/zinc/53/94/84/716539484.db2.gz DKTKGIKSDPBJAK-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027692264 716539488 /nfs/dbraw/zinc/53/94/88/716539488.db2.gz DKTKGIKSDPBJAK-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(CC)CC)C2)CC1 ZINC001023760448 716973204 /nfs/dbraw/zinc/97/32/04/716973204.db2.gz WJHIJDZBOBRKQN-IBGZPJMESA-N 1 3 347.547 2.596 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(CC)CC)C2)CC1 ZINC001023760448 716973207 /nfs/dbraw/zinc/97/32/07/716973207.db2.gz WJHIJDZBOBRKQN-IBGZPJMESA-N 1 3 347.547 2.596 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761703 716974561 /nfs/dbraw/zinc/97/45/61/716974561.db2.gz HAYNVQAIAUTAID-GOSISDBHSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761703 716974564 /nfs/dbraw/zinc/97/45/64/716974564.db2.gz HAYNVQAIAUTAID-GOSISDBHSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980166095 717830454 /nfs/dbraw/zinc/83/04/54/717830454.db2.gz DVHNZUOASPZKFB-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980166095 717830458 /nfs/dbraw/zinc/83/04/58/717830458.db2.gz DVHNZUOASPZKFB-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751849 718135014 /nfs/dbraw/zinc/13/50/14/718135014.db2.gz LLWLARNTRASQPT-RBUKOAKNSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751849 718135016 /nfs/dbraw/zinc/13/50/16/718135016.db2.gz LLWLARNTRASQPT-RBUKOAKNSA-N 1 3 333.520 2.635 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259651 718476325 /nfs/dbraw/zinc/47/63/25/718476325.db2.gz SKYCNEACMLWMMI-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259651 718476326 /nfs/dbraw/zinc/47/63/26/718476326.db2.gz SKYCNEACMLWMMI-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287070 718523005 /nfs/dbraw/zinc/52/30/05/718523005.db2.gz BTIKDTHFBHHXID-IRXDYDNUSA-N 1 3 342.487 2.556 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287070 718523007 /nfs/dbraw/zinc/52/30/07/718523007.db2.gz BTIKDTHFBHHXID-IRXDYDNUSA-N 1 3 342.487 2.556 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981270609 718583152 /nfs/dbraw/zinc/58/31/52/718583152.db2.gz JCNWQAJZGHJGAA-CABCVRRESA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000981539811 718798728 /nfs/dbraw/zinc/79/87/28/718798728.db2.gz YLISTUYDASZDJN-ZWKOTPCHSA-N 1 3 329.488 2.955 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627677 719248757 /nfs/dbraw/zinc/24/87/57/719248757.db2.gz AWVSEDNQSOKNPZ-AZUAARDMSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627677 719248759 /nfs/dbraw/zinc/24/87/59/719248759.db2.gz AWVSEDNQSOKNPZ-AZUAARDMSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628862 719251781 /nfs/dbraw/zinc/25/17/81/719251781.db2.gz XIGXUJGXPRSLLG-YLJYHZDGSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628862 719251783 /nfs/dbraw/zinc/25/17/83/719251783.db2.gz XIGXUJGXPRSLLG-YLJYHZDGSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630942 719258758 /nfs/dbraw/zinc/25/87/58/719258758.db2.gz XDEVIKGXTILSIX-ZWKOTPCHSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630942 719258760 /nfs/dbraw/zinc/25/87/60/719258760.db2.gz XDEVIKGXTILSIX-ZWKOTPCHSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631342 719259328 /nfs/dbraw/zinc/25/93/28/719259328.db2.gz ZRYQZMIEAXOLBW-UYAOXDASSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001025631342 719259331 /nfs/dbraw/zinc/25/93/31/719259331.db2.gz ZRYQZMIEAXOLBW-UYAOXDASSA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052438 719507114 /nfs/dbraw/zinc/50/71/14/719507114.db2.gz KHWSHIPOJBAWIH-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052438 719507118 /nfs/dbraw/zinc/50/71/18/719507118.db2.gz KHWSHIPOJBAWIH-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001026266318 720073673 /nfs/dbraw/zinc/07/36/73/720073673.db2.gz DTBFGECPNDEUHN-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520562 720703786 /nfs/dbraw/zinc/70/37/86/720703786.db2.gz REMFFKBTEYCQEM-RLLQIKCJSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520562 720703789 /nfs/dbraw/zinc/70/37/89/720703789.db2.gz REMFFKBTEYCQEM-RLLQIKCJSA-N 1 3 335.536 2.709 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677650 721270506 /nfs/dbraw/zinc/27/05/06/721270506.db2.gz FTWUFXFRTGOPQD-QZTJIDSGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677650 721270508 /nfs/dbraw/zinc/27/05/08/721270508.db2.gz FTWUFXFRTGOPQD-QZTJIDSGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831223 721303397 /nfs/dbraw/zinc/30/33/97/721303397.db2.gz JIRAOYGRQQKOOE-TZRIAGMCSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831223 721303399 /nfs/dbraw/zinc/30/33/99/721303399.db2.gz JIRAOYGRQQKOOE-TZRIAGMCSA-N 1 3 333.520 2.606 20 30 EFEDHO CC[NH+]=C(NCCc1ccco1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000154635094 728832639 /nfs/dbraw/zinc/83/26/39/728832639.db2.gz HFJZZMLPFBWFNH-QFBILLFUSA-N 1 3 344.503 2.736 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067478 728913033 /nfs/dbraw/zinc/91/30/33/728913033.db2.gz XGITUYJSZSCCCR-SJLPKXTDSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067478 728913034 /nfs/dbraw/zinc/91/30/34/728913034.db2.gz XGITUYJSZSCCCR-SJLPKXTDSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001040951071 728360153 /nfs/dbraw/zinc/36/01/53/728360153.db2.gz DEVVXWQEEPYFJC-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001574849783 1088119261 /nfs/dbraw/zinc/11/92/61/1088119261.db2.gz QUTMHMMOCFHDNW-ZWKOTPCHSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849783 1088119272 /nfs/dbraw/zinc/11/92/72/1088119272.db2.gz QUTMHMMOCFHDNW-ZWKOTPCHSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849783 1088119277 /nfs/dbraw/zinc/11/92/77/1088119277.db2.gz QUTMHMMOCFHDNW-ZWKOTPCHSA-N 1 3 349.906 2.968 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001574902029 1088144077 /nfs/dbraw/zinc/14/40/77/1088144077.db2.gz ZDEPVUHIQVSMBJ-RTBURBONSA-N 1 3 329.488 2.793 20 30 EFEDHO N#Cc1c(NC(=O)CCN[C@@H](C[NH3+])C2CCCC2)sc2c1CCC2 ZINC001580057466 1090757410 /nfs/dbraw/zinc/75/74/10/1090757410.db2.gz WHIHXUWAMKKGFX-HNNXBMFYSA-N 1 3 346.500 2.544 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075458539 1093228829 /nfs/dbraw/zinc/22/88/29/1093228829.db2.gz JFYUSPUMSQQDBZ-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075458539 1093228838 /nfs/dbraw/zinc/22/88/38/1093228838.db2.gz JFYUSPUMSQQDBZ-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458611 1093231078 /nfs/dbraw/zinc/23/10/78/1093231078.db2.gz LKRLNBPCZHVFKJ-KRWDZBQOSA-N 1 3 344.503 2.869 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458611 1093231083 /nfs/dbraw/zinc/23/10/83/1093231083.db2.gz LKRLNBPCZHVFKJ-KRWDZBQOSA-N 1 3 344.503 2.869 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458833 1093237694 /nfs/dbraw/zinc/23/76/94/1093237694.db2.gz QJCHRIIOBBUFIW-ICSRJNTNSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458833 1093237702 /nfs/dbraw/zinc/23/77/02/1093237702.db2.gz QJCHRIIOBBUFIW-ICSRJNTNSA-N 1 3 347.547 2.691 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461641 1093325695 /nfs/dbraw/zinc/32/56/95/1093325695.db2.gz NJDXSVVNHBADHH-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461641 1093325703 /nfs/dbraw/zinc/32/57/03/1093325703.db2.gz NJDXSVVNHBADHH-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211615819 1094310683 /nfs/dbraw/zinc/31/06/83/1094310683.db2.gz IAFJHVUQIVFPPD-RBUKOAKNSA-N 1 3 341.499 2.631 20 30 EFEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682102 1094616379 /nfs/dbraw/zinc/61/63/79/1094616379.db2.gz AYZZDQGNFBSJHE-GDBMZVCRSA-N 1 3 343.943 2.791 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529882 1094762859 /nfs/dbraw/zinc/76/28/59/1094762859.db2.gz TUGVGQRRRNJTSB-BJLQDIEVSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112530009 1094772723 /nfs/dbraw/zinc/77/27/23/1094772723.db2.gz ZAHZWGBSHVOPEL-BJLQDIEVSA-N 1 3 333.520 2.655 20 30 EFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531698 1095094242 /nfs/dbraw/zinc/09/42/42/1095094242.db2.gz MNMLEFZHUONNGD-PXNSSMCTSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203421015 1095119171 /nfs/dbraw/zinc/11/91/71/1095119171.db2.gz YSTNHPOYDSPNCW-GJZGRUSLSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316936 1095302775 /nfs/dbraw/zinc/30/27/75/1095302775.db2.gz ZOEIWHIAHUGFQQ-MNEFBYGVSA-N 1 3 344.503 2.832 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316936 1095302785 /nfs/dbraw/zinc/30/27/85/1095302785.db2.gz ZOEIWHIAHUGFQQ-MNEFBYGVSA-N 1 3 344.503 2.832 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1 ZINC001211713854 1096308834 /nfs/dbraw/zinc/30/88/34/1096308834.db2.gz WCGXIKLQXZUDLY-VQTJNVASSA-N 1 3 343.515 2.879 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729590 1096608580 /nfs/dbraw/zinc/60/85/80/1096608580.db2.gz DJQRPSASDCFACS-VQTJNVASSA-N 1 3 343.515 2.877 20 30 EFEDHO C=C(Cl)CNC[C@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001481949739 1096988049 /nfs/dbraw/zinc/98/80/49/1096988049.db2.gz AJYYRZMPCSMENN-IBGZPJMESA-N 1 3 349.906 2.989 20 30 EFEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832669 1098716925 /nfs/dbraw/zinc/71/69/25/1098716925.db2.gz NBXOEYWQMHBKSS-RTBURBONSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001105066909 1099547655 /nfs/dbraw/zinc/54/76/55/1099547655.db2.gz GDBWYTMPGDBNDY-OIISXLGYSA-N 1 3 341.927 2.688 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673577 1099632046 /nfs/dbraw/zinc/63/20/46/1099632046.db2.gz QRDFXIOCHVRNMW-YZGWKJHDSA-N 1 3 341.499 2.631 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680178 1099861384 /nfs/dbraw/zinc/86/13/84/1099861384.db2.gz KGAUCUMMXBWRQT-RBUKOAKNSA-N 1 3 338.455 2.503 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573035 1100540938 /nfs/dbraw/zinc/54/09/38/1100540938.db2.gz QRUFHUDDVFVDRY-YTQUADARSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573035 1100540944 /nfs/dbraw/zinc/54/09/44/1100540944.db2.gz QRUFHUDDVFVDRY-YTQUADARSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396762 1100593503 /nfs/dbraw/zinc/59/35/03/1100593503.db2.gz VHLPGIYSGIFCBX-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396762 1100593508 /nfs/dbraw/zinc/59/35/08/1100593508.db2.gz VHLPGIYSGIFCBX-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001167385653 1101391939 /nfs/dbraw/zinc/39/19/39/1101391939.db2.gz MKRNLCJSDVLZCY-MRXNPFEDSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129294 1101623663 /nfs/dbraw/zinc/62/36/63/1101623663.db2.gz GTWABIRMPLVUCY-QYZOEREBSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129294 1101623667 /nfs/dbraw/zinc/62/36/67/1101623667.db2.gz GTWABIRMPLVUCY-QYZOEREBSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330989 1102954592 /nfs/dbraw/zinc/95/45/92/1102954592.db2.gz NCYLVSIZRBBJJP-CVEARBPZSA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001088341501 1103025394 /nfs/dbraw/zinc/02/53/94/1103025394.db2.gz JHNUQDVVZZHFOK-INIZCTEOSA-N 1 3 339.911 2.728 20 30 EFEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381279 1103336241 /nfs/dbraw/zinc/33/62/41/1103336241.db2.gz AYCOQBPMCBBJEQ-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381280 1103336502 /nfs/dbraw/zinc/33/65/02/1103336502.db2.gz AYCOQBPMCBBJEQ-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381281 1103337081 /nfs/dbraw/zinc/33/70/81/1103337081.db2.gz AYCOQBPMCBBJEQ-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001088430469 1103578163 /nfs/dbraw/zinc/57/81/63/1103578163.db2.gz QQCKXSDDZWSIKU-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCOC[C@]12CCCO[C@@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378560 1104119357 /nfs/dbraw/zinc/11/93/57/1104119357.db2.gz WLNVRCFEJDWTJX-NHCUHLMSSA-N 1 3 348.531 2.935 20 30 EFEDHO C=C(Cl)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001101522139 1104142837 /nfs/dbraw/zinc/14/28/37/1104142837.db2.gz OAHIGZSVGGEITN-MRXNPFEDSA-N 1 3 341.927 2.688 20 30 EFEDHO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542074 1105899884 /nfs/dbraw/zinc/89/98/84/1105899884.db2.gz OMMQNIPQAVRQBR-IBGZPJMESA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542593 1105900709 /nfs/dbraw/zinc/90/07/09/1105900709.db2.gz YEVMBGBDZVGEAO-LJQANCHMSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001105536923 1105905623 /nfs/dbraw/zinc/90/56/23/1105905623.db2.gz KUFAEEUSUZBTRM-MOPGFXCFSA-N 1 3 345.531 2.633 20 30 EFEDHO C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105565822 1105954610 /nfs/dbraw/zinc/95/46/10/1105954610.db2.gz BSHWMOQLDOTIJF-KRWDZBQOSA-N 1 3 330.476 2.669 20 30 EFEDHO C=C(C)C[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168320855 1106715868 /nfs/dbraw/zinc/71/58/68/1106715868.db2.gz SZPYLPUPGWJRNG-UHFFFAOYSA-N 1 3 329.488 2.814 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060652 1107384180 /nfs/dbraw/zinc/38/41/80/1107384180.db2.gz ZHDJFJNEADUWLR-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060652 1107384196 /nfs/dbraw/zinc/38/41/96/1107384196.db2.gz ZHDJFJNEADUWLR-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387208 1107719739 /nfs/dbraw/zinc/71/97/39/1107719739.db2.gz BHFVUGSSNHQGCW-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387208 1107719745 /nfs/dbraw/zinc/71/97/45/1107719745.db2.gz BHFVUGSSNHQGCW-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036677 1108599840 /nfs/dbraw/zinc/59/98/40/1108599840.db2.gz YHBWWVAUFJLKRX-JCYILVPMSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729618 1111771803 /nfs/dbraw/zinc/77/18/03/1111771803.db2.gz VKLYKZKFZXKHNL-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486536 1112221214 /nfs/dbraw/zinc/22/12/14/1112221214.db2.gz ACGMLMTZSZQOCS-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089486536 1112221218 /nfs/dbraw/zinc/22/12/18/1112221218.db2.gz ACGMLMTZSZQOCS-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511355 1112255492 /nfs/dbraw/zinc/25/54/92/1112255492.db2.gz RJROUOONIJKPPE-RTBURBONSA-N 1 3 347.547 2.879 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511355 1112255494 /nfs/dbraw/zinc/25/54/94/1112255494.db2.gz RJROUOONIJKPPE-RTBURBONSA-N 1 3 347.547 2.879 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656357 1112565416 /nfs/dbraw/zinc/56/54/16/1112565416.db2.gz HFQBZENONCJJDE-QGZVFWFLSA-N 1 3 333.520 2.655 20 30 EFEDHO C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001272691770 1117784322 /nfs/dbraw/zinc/78/43/22/1117784322.db2.gz NMCYAEAHRPZQLA-LPHOPBHVSA-N 1 3 329.488 2.563 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820456 1117877743 /nfs/dbraw/zinc/87/77/43/1117877743.db2.gz MRAMZYJSNPGDDG-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820456 1117877748 /nfs/dbraw/zinc/87/77/48/1117877748.db2.gz MRAMZYJSNPGDDG-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497837 1118621318 /nfs/dbraw/zinc/62/13/18/1118621318.db2.gz QRYASBHUIMOQKA-MANSERQUSA-N 1 3 347.547 2.852 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497837 1118621320 /nfs/dbraw/zinc/62/13/20/1118621320.db2.gz QRYASBHUIMOQKA-MANSERQUSA-N 1 3 347.547 2.852 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497838 1118621408 /nfs/dbraw/zinc/62/14/08/1118621408.db2.gz QRYASBHUIMOQKA-OKYOBFRVSA-N 1 3 347.547 2.852 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N(C)CC ZINC001099497838 1118621412 /nfs/dbraw/zinc/62/14/12/1118621412.db2.gz QRYASBHUIMOQKA-OKYOBFRVSA-N 1 3 347.547 2.852 20 30 EFEDHO C=CCCCCCCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272710429 1118779495 /nfs/dbraw/zinc/77/94/95/1118779495.db2.gz WVRGAMSSXKXABD-HXUWFJFHSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCCCCCCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272710429 1118779498 /nfs/dbraw/zinc/77/94/98/1118779498.db2.gz WVRGAMSSXKXABD-HXUWFJFHSA-N 1 3 335.536 2.999 20 30 EFEDHO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCN1CCCCC1 ZINC001272716520 1118921327 /nfs/dbraw/zinc/92/13/27/1118921327.db2.gz GQSOJTNEWJSLNT-FQEVSTJZSA-N 1 3 346.519 2.623 20 30 EFEDHO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCN1CCCCC1 ZINC001272716520 1118921331 /nfs/dbraw/zinc/92/13/31/1118921331.db2.gz GQSOJTNEWJSLNT-FQEVSTJZSA-N 1 3 346.519 2.623 20 30 EFEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107035538 1120005229 /nfs/dbraw/zinc/00/52/29/1120005229.db2.gz LPJZKCKWCNVFCN-SJLPKXTDSA-N 1 3 329.488 2.622 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+]CCCN3CCCCC3)CC2)cc1 ZINC000181418305 234178543 /nfs/dbraw/zinc/17/85/43/234178543.db2.gz HPYVRRSGNMWPDY-UHFFFAOYSA-N 1 3 340.515 2.988 20 30 EFEDHO N#Cc1ccccc1CSCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422986953 283214988 /nfs/dbraw/zinc/21/49/88/283214988.db2.gz HPVCYVQVVHDLLC-GBESFXJTSA-N 1 3 345.512 2.538 20 30 EFEDHO C[NH+]=C(NC1CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262482553 240356439 /nfs/dbraw/zinc/35/64/39/240356439.db2.gz RUUMAWFNQOHFRO-HXUWFJFHSA-N 1 3 326.488 2.712 20 30 EFEDHO C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(Cl)cc1F ZINC000262683033 240363847 /nfs/dbraw/zinc/36/38/47/240363847.db2.gz XCCPFVJYLXASRJ-XJKSGUPXSA-N 1 3 336.842 2.542 20 30 EFEDHO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000192834295 240067507 /nfs/dbraw/zinc/06/75/07/240067507.db2.gz JRVKEQHTBPPKSC-OALUTQOASA-N 1 3 327.472 2.815 20 30 EFEDHO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCC(C)CC1 ZINC000262013828 240338875 /nfs/dbraw/zinc/33/88/75/240338875.db2.gz VGAARZFQMLUMBU-OAHLLOKOSA-N 1 3 346.475 2.695 20 30 EFEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCC(C)CC1 ZINC000262013823 240340370 /nfs/dbraw/zinc/34/03/70/240340370.db2.gz VGAARZFQMLUMBU-HNNXBMFYSA-N 1 3 346.475 2.695 20 30 EFEDHO [NH2+]=C(NC[C@H]1CCCCS1)NC1CCN(Cc2ccccc2)CC1 ZINC000262232563 240344357 /nfs/dbraw/zinc/34/43/57/240344357.db2.gz MMFBYUIQUBJWKL-GOSISDBHSA-N 1 3 346.544 2.841 20 30 EFEDHO CSC1(C[NH+]=C(NCc2ccccc2)N(C)C)CCN(C)CC1 ZINC000262330755 240347397 /nfs/dbraw/zinc/34/73/97/240347397.db2.gz UYHXXAGIOLXBKH-UHFFFAOYSA-N 1 3 334.533 2.521 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521151 242123638 /nfs/dbraw/zinc/12/36/38/242123638.db2.gz XDVCKKDSAWMUGW-MRXNPFEDSA-N 1 3 347.528 2.727 20 30 EFEDHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000361459952 242223265 /nfs/dbraw/zinc/22/32/65/242223265.db2.gz OOMPRLFGNVHSGA-MJGOQNOKSA-N 1 3 345.487 2.816 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414345871 244098140 /nfs/dbraw/zinc/09/81/40/244098140.db2.gz UAMIXEXGGNKSNS-MRXNPFEDSA-N 1 3 329.488 2.828 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000417059155 245001420 /nfs/dbraw/zinc/00/14/20/245001420.db2.gz HKXWSWCRADZBNQ-KZNAEPCWSA-N 1 3 336.524 2.502 20 30 EFEDHO N#C[C@H]1CC[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000442708342 250104383 /nfs/dbraw/zinc/10/43/83/250104383.db2.gz FYQUBVVILRTBKB-SFTDATJTSA-N 1 3 340.515 2.866 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424138769 287276575 /nfs/dbraw/zinc/27/65/75/287276575.db2.gz UVHDVZLVZLPXIN-VQIMIIECSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000424138769 287276576 /nfs/dbraw/zinc/27/65/76/287276576.db2.gz UVHDVZLVZLPXIN-VQIMIIECSA-N 1 3 342.487 2.698 20 30 EFEDHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000273240347 266471098 /nfs/dbraw/zinc/47/10/98/266471098.db2.gz QCTNZRYNCHVODR-INIZCTEOSA-N 1 3 344.503 2.615 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271895373 267180281 /nfs/dbraw/zinc/18/02/81/267180281.db2.gz SZTQQLUTAWQWNE-YSSFQJQWSA-N 1 3 327.472 2.977 20 30 EFEDHO N#Cc1ccc([C@@H](O)C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509089 268212201 /nfs/dbraw/zinc/21/22/01/268212201.db2.gz RGGKMLRXFOAVPZ-BDTNDASRSA-N 1 3 347.462 2.655 20 30 EFEDHO N#Cc1ccc([C@@H](O)C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280509089 268212203 /nfs/dbraw/zinc/21/22/03/268212203.db2.gz RGGKMLRXFOAVPZ-BDTNDASRSA-N 1 3 347.462 2.655 20 30 EFEDHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316034 319753895 /nfs/dbraw/zinc/75/38/95/319753895.db2.gz XSRJYWZDJPBPOJ-QGPMSJSTSA-N 1 3 330.451 2.644 20 30 EFEDHO CC(C)N1CC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577326795 320098870 /nfs/dbraw/zinc/09/88/70/320098870.db2.gz QWXCMSCMQYANJL-GOSISDBHSA-N 1 3 326.488 2.847 20 30 EFEDHO C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000580541207 324184010 /nfs/dbraw/zinc/18/40/10/324184010.db2.gz NYYCFUBCNNLQQQ-IWCVFHTOSA-N 1 3 328.460 2.763 20 30 EFEDHO CC(C)(CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCCC1 ZINC000083029907 473314842 /nfs/dbraw/zinc/31/48/42/473314842.db2.gz JMLRYQPHPMZXKT-INIZCTEOSA-N 1 3 330.476 2.679 20 30 EFEDHO CC(C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC1 ZINC000083037734 473317939 /nfs/dbraw/zinc/31/79/39/473317939.db2.gz FGTCSMAHNMSCGR-IAGOWNOFSA-N 1 3 330.476 2.535 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000067232838 472009531 /nfs/dbraw/zinc/00/95/31/472009531.db2.gz UVFNKJOOLLIICB-UHFFFAOYSA-N 1 3 339.483 2.609 20 30 EFEDHO C#CCN1CCC(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000057126794 472384021 /nfs/dbraw/zinc/38/40/21/472384021.db2.gz REFIFDDDTJHYFL-UHFFFAOYSA-N 1 3 345.531 2.637 20 30 EFEDHO C#Cc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000077201336 472471398 /nfs/dbraw/zinc/47/13/98/472471398.db2.gz RFXARVIUBZMWOZ-LJQANCHMSA-N 1 3 342.487 2.548 20 30 EFEDHO C#Cc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000077201336 472471402 /nfs/dbraw/zinc/47/14/02/472471402.db2.gz RFXARVIUBZMWOZ-LJQANCHMSA-N 1 3 342.487 2.548 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776064 472608834 /nfs/dbraw/zinc/60/88/34/472608834.db2.gz CKTUSEMUSJQOFS-MOPGFXCFSA-N 1 3 348.535 2.565 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000077776064 472608840 /nfs/dbraw/zinc/60/88/40/472608840.db2.gz CKTUSEMUSJQOFS-MOPGFXCFSA-N 1 3 348.535 2.565 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H]2CCCN2CC(C)C)cc1OC ZINC000130831560 472630506 /nfs/dbraw/zinc/63/05/06/472630506.db2.gz UXBFRELBQVITQT-OAHLLOKOSA-N 1 3 334.464 2.551 20 30 EFEDHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072759286 472711988 /nfs/dbraw/zinc/71/19/88/472711988.db2.gz PLATXBMRLQEUKA-SFHVURJKSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072759286 472711995 /nfs/dbraw/zinc/71/19/95/472711995.db2.gz PLATXBMRLQEUKA-SFHVURJKSA-N 1 3 328.460 2.693 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000079492190 472873826 /nfs/dbraw/zinc/87/38/26/472873826.db2.gz HTPJGJXTQMZLOQ-FQEVSTJZSA-N 1 3 346.515 2.819 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000066704200 473140984 /nfs/dbraw/zinc/14/09/84/473140984.db2.gz JEFYCGFQJQGBHV-GOSISDBHSA-N 1 3 336.524 2.591 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066704200 473140991 /nfs/dbraw/zinc/14/09/91/473140991.db2.gz JEFYCGFQJQGBHV-GOSISDBHSA-N 1 3 336.524 2.591 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185782257 473512420 /nfs/dbraw/zinc/51/24/20/473512420.db2.gz NWNVBBBTDGFPTC-NQIIRXRSSA-N 1 3 340.515 2.996 20 30 EFEDHO C#CCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000172116519 473526768 /nfs/dbraw/zinc/52/67/68/473526768.db2.gz LCGFZCZYAZKKTF-HDICACEKSA-N 1 3 330.472 2.678 20 30 EFEDHO C#CCOc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000172116526 473527386 /nfs/dbraw/zinc/52/73/86/473527386.db2.gz LCGFZCZYAZKKTF-QZTJIDSGSA-N 1 3 330.472 2.678 20 30 EFEDHO CN(C)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCCC1 ZINC000263261720 473745714 /nfs/dbraw/zinc/74/57/14/473745714.db2.gz SXEQRMILVCVNGR-UHFFFAOYSA-N 1 3 346.475 2.839 20 30 EFEDHO CCc1cccc(CC)c1NC(=[NH2+])NCCN1CCN(C)C(C)(C)C1 ZINC000281770507 473831424 /nfs/dbraw/zinc/83/14/24/473831424.db2.gz MFJONPILQGOSLZ-UHFFFAOYSA-N 1 3 345.535 2.564 20 30 EFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180280505 473845909 /nfs/dbraw/zinc/84/59/09/473845909.db2.gz AYJIUBMWQKMDNR-MOPGFXCFSA-N 1 3 337.471 2.921 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)cc1 ZINC000264078113 473948181 /nfs/dbraw/zinc/94/81/81/473948181.db2.gz GJWXTJMVNOQXSY-UHFFFAOYSA-N 1 3 338.455 2.870 20 30 EFEDHO C[NH+]=C(NCc1ccco1)NCc1ccccc1CN(C)C(C)C ZINC000264081340 473948247 /nfs/dbraw/zinc/94/82/47/473948247.db2.gz ULZKRVRTHSXQFZ-UHFFFAOYSA-N 1 3 328.460 2.985 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)N2CCCC2)cc1OC ZINC000264106081 473950069 /nfs/dbraw/zinc/95/00/69/473950069.db2.gz NUXKCFQIRGUSMJ-HNNXBMFYSA-N 1 3 334.464 2.551 20 30 EFEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288780240 474048802 /nfs/dbraw/zinc/04/88/02/474048802.db2.gz WJQVXXZVKWHTJO-UHFFFAOYSA-N 1 3 348.397 2.832 20 30 EFEDHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181660084 474055635 /nfs/dbraw/zinc/05/56/35/474055635.db2.gz BTMWFSXZJRTNFZ-MRXNPFEDSA-N 1 3 331.460 2.740 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622855 474219855 /nfs/dbraw/zinc/21/98/55/474219855.db2.gz VAHXIDVIFXXFSR-IAGOWNOFSA-N 1 3 348.535 2.589 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622855 474219860 /nfs/dbraw/zinc/21/98/60/474219860.db2.gz VAHXIDVIFXXFSR-IAGOWNOFSA-N 1 3 348.535 2.589 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182622893 474219943 /nfs/dbraw/zinc/21/99/43/474219943.db2.gz VAHXIDVIFXXFSR-SJORKVTESA-N 1 3 348.535 2.589 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182622893 474219946 /nfs/dbraw/zinc/21/99/46/474219946.db2.gz VAHXIDVIFXXFSR-SJORKVTESA-N 1 3 348.535 2.589 20 30 EFEDHO CC(C)(C)NC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267275918 474634946 /nfs/dbraw/zinc/63/49/46/474634946.db2.gz FWZCONWIHAPIJO-UHFFFAOYSA-N 1 3 346.519 2.761 20 30 EFEDHO C#CCOc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654385 474757800 /nfs/dbraw/zinc/75/78/00/474757800.db2.gz SSITYCIWHRWDNN-MSOLQXFVSA-N 1 3 330.472 2.850 20 30 EFEDHO C#CCOc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278654385 474757809 /nfs/dbraw/zinc/75/78/09/474757809.db2.gz SSITYCIWHRWDNN-MSOLQXFVSA-N 1 3 330.472 2.850 20 30 EFEDHO C[NH+](C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000279703404 474986448 /nfs/dbraw/zinc/98/64/48/474986448.db2.gz JWWXGZBTTYZOLS-GOSISDBHSA-N 1 3 338.455 2.621 20 30 EFEDHO CCCC[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280897352 475056580 /nfs/dbraw/zinc/05/65/80/475056580.db2.gz MQOYEOJWNLGPEK-SFHVURJKSA-N 1 3 338.455 2.621 20 30 EFEDHO CCC[NH+](CCC)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280996496 475061197 /nfs/dbraw/zinc/06/11/97/475061197.db2.gz TZAZYIINKMKUSN-LJQANCHMSA-N 1 3 340.471 2.869 20 30 EFEDHO CCN(CCC[NH+]1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281157612 475095271 /nfs/dbraw/zinc/09/52/71/475095271.db2.gz ISAFBARWASMGQI-LJQANCHMSA-N 1 3 338.455 2.575 20 30 EFEDHO C#CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000268962785 475096434 /nfs/dbraw/zinc/09/64/34/475096434.db2.gz JOEVWJDODWDZNX-NHCUHLMSSA-N 1 3 342.483 2.556 20 30 EFEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000352873092 475661551 /nfs/dbraw/zinc/66/15/51/475661551.db2.gz HYWYBKWPEKOLOY-DOTOQJQBSA-N 1 3 348.491 2.658 20 30 EFEDHO C=CCN1CCC(NC(=O)N(CC)CC[NH+]2CCCCCC2)CC1 ZINC000352902150 475665226 /nfs/dbraw/zinc/66/52/26/475665226.db2.gz WXENNPGUBHEWPB-UHFFFAOYSA-N 1 3 336.524 2.544 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353413865 475948942 /nfs/dbraw/zinc/94/89/42/475948942.db2.gz QXLWJBSVQZKEST-FQEVSTJZSA-N 1 3 326.488 2.553 20 30 EFEDHO CN1CCCN(CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360839686 476419919 /nfs/dbraw/zinc/41/99/19/476419919.db2.gz IZEHPOFLJCUPTQ-NRFANRHFSA-N 1 3 340.515 2.943 20 30 EFEDHO C#CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000373758978 476425369 /nfs/dbraw/zinc/42/53/69/476425369.db2.gz SOJOJIGMAVIZRE-UHFFFAOYSA-N 1 3 345.531 2.635 20 30 EFEDHO C[C@@H]1C[NH+](CC2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000363642744 476473149 /nfs/dbraw/zinc/47/31/49/476473149.db2.gz DWOSQRFMASVTOU-IAGOWNOFSA-N 1 3 327.472 2.879 20 30 EFEDHO CCOC(=O)C1([C@H](C)N[C@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999542 476886487 /nfs/dbraw/zinc/88/64/87/476886487.db2.gz SPKRJHUTJRFDSK-FUHWJXTLSA-N 1 3 343.471 2.942 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000415135530 476909914 /nfs/dbraw/zinc/90/99/14/476909914.db2.gz WTFYABDNYCHJMC-PMACEKPBSA-N 1 3 330.472 2.970 20 30 EFEDHO C=CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708527 476944844 /nfs/dbraw/zinc/94/48/44/476944844.db2.gz QBGPLKUDJBJPFD-WIYYLYMNSA-N 1 3 343.515 2.709 20 30 EFEDHO C=CCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370708527 476944854 /nfs/dbraw/zinc/94/48/54/476944854.db2.gz QBGPLKUDJBJPFD-WIYYLYMNSA-N 1 3 343.515 2.709 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000430968156 476954075 /nfs/dbraw/zinc/95/40/75/476954075.db2.gz XGFHPGFGOXXVIF-CABCVRRESA-N 1 3 335.517 2.710 20 30 EFEDHO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCNC1 ZINC000423218984 476967323 /nfs/dbraw/zinc/96/73/23/476967323.db2.gz SWMJMEMSLXDMGV-LPHOPBHVSA-N 1 3 326.488 2.500 20 30 EFEDHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1 ZINC000447531624 477006808 /nfs/dbraw/zinc/00/68/08/477006808.db2.gz RWUPHUCCTGBMAM-IBGZPJMESA-N 1 3 342.487 2.542 20 30 EFEDHO CC1(C)CCCN[C@@H]1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423394295 477016464 /nfs/dbraw/zinc/01/64/64/477016464.db2.gz RYNJXXXRAGKAEK-HXUWFJFHSA-N 1 3 340.515 2.890 20 30 EFEDHO CC1(C)CCC[NH2+][C@@H]1CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423394295 477016468 /nfs/dbraw/zinc/01/64/68/477016468.db2.gz RYNJXXXRAGKAEK-HXUWFJFHSA-N 1 3 340.515 2.890 20 30 EFEDHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424126026 477299212 /nfs/dbraw/zinc/29/92/12/477299212.db2.gz BAQXXDHXANEBHS-YJBOKZPZSA-N 1 3 328.460 2.878 20 30 EFEDHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424126026 477299218 /nfs/dbraw/zinc/29/92/18/477299218.db2.gz BAQXXDHXANEBHS-YJBOKZPZSA-N 1 3 328.460 2.878 20 30 EFEDHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424152127 477309572 /nfs/dbraw/zinc/30/95/72/477309572.db2.gz IKGJNDLHQDQSLG-MRXNPFEDSA-N 1 3 346.500 2.504 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000424160147 477312822 /nfs/dbraw/zinc/31/28/22/477312822.db2.gz TUUPYKDMLMGCTQ-NZSAHSFTSA-N 1 3 342.487 2.692 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424160147 477312826 /nfs/dbraw/zinc/31/28/26/477312826.db2.gz TUUPYKDMLMGCTQ-NZSAHSFTSA-N 1 3 342.487 2.692 20 30 EFEDHO C=CCn1cc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000424294673 477359985 /nfs/dbraw/zinc/35/99/85/477359985.db2.gz LIAJTCYMLDFCQW-UHFFFAOYSA-N 1 3 339.487 2.997 20 30 EFEDHO C=CCn1cc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000424294673 477359988 /nfs/dbraw/zinc/35/99/88/477359988.db2.gz LIAJTCYMLDFCQW-UHFFFAOYSA-N 1 3 339.487 2.997 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000417067441 477443679 /nfs/dbraw/zinc/44/36/79/477443679.db2.gz ROONLZPYFMFBDC-KZNAEPCWSA-N 1 3 336.524 2.596 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417519771 477456299 /nfs/dbraw/zinc/45/62/99/477456299.db2.gz AVUVOBZFQOEVAL-LJQANCHMSA-N 1 3 344.503 2.759 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417541771 477456318 /nfs/dbraw/zinc/45/63/18/477456318.db2.gz ROELSCYJZXTQKF-UHFFFAOYSA-N 1 3 336.524 2.578 20 30 EFEDHO Cn1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000367965190 477774467 /nfs/dbraw/zinc/77/44/67/477774467.db2.gz LMTAEFGIDCZIJG-WOJBJXKFSA-N 1 3 334.467 2.851 20 30 EFEDHO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000367965190 477774473 /nfs/dbraw/zinc/77/44/73/477774473.db2.gz LMTAEFGIDCZIJG-WOJBJXKFSA-N 1 3 334.467 2.851 20 30 EFEDHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594438943 478388517 /nfs/dbraw/zinc/38/85/17/478388517.db2.gz RCDUTFBNHWVXEH-INIZCTEOSA-N 1 3 343.475 2.542 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000562988659 478404734 /nfs/dbraw/zinc/40/47/34/478404734.db2.gz AECONDRSTCNBAN-IPMKNSEASA-N 1 3 332.488 2.617 20 30 EFEDHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859530 478545939 /nfs/dbraw/zinc/54/59/39/478545939.db2.gz FBPNLSMSAFRTNY-QZTJIDSGSA-N 1 3 327.472 2.996 20 30 EFEDHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859530 478545946 /nfs/dbraw/zinc/54/59/46/478545946.db2.gz FBPNLSMSAFRTNY-QZTJIDSGSA-N 1 3 327.472 2.996 20 30 EFEDHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000591572051 478583037 /nfs/dbraw/zinc/58/30/37/478583037.db2.gz IRCDMDBSHUXWIA-HFDQKHQFSA-N 1 3 343.471 2.590 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000564853377 478832105 /nfs/dbraw/zinc/83/21/05/478832105.db2.gz BIQMVPCGROJZID-RAFMOHDBSA-N 1 3 344.499 2.760 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000564853377 478832115 /nfs/dbraw/zinc/83/21/15/478832115.db2.gz BIQMVPCGROJZID-RAFMOHDBSA-N 1 3 344.499 2.760 20 30 EFEDHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951387 478957114 /nfs/dbraw/zinc/95/71/14/478957114.db2.gz MBHCHGKIFGIFCC-AGERRDQYSA-N 1 3 328.460 2.621 20 30 EFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CNCc2ccccc21)C(C)C ZINC000567776315 479114431 /nfs/dbraw/zinc/11/44/31/479114431.db2.gz WZNWWWOZZIBQDE-VQTJNVASSA-N 1 3 341.499 2.688 20 30 EFEDHO C=CCC(C)(C)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568222487 479121406 /nfs/dbraw/zinc/12/14/06/479121406.db2.gz RWTMXTXKSCLRAU-UHFFFAOYSA-N 1 3 335.536 2.901 20 30 EFEDHO CC[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000593321868 479293587 /nfs/dbraw/zinc/29/35/87/479293587.db2.gz JCBBLJIQDOCVTN-PMACEKPBSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@H](C[C@H]1CCC[NH2+]1)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593322627 479294919 /nfs/dbraw/zinc/29/49/19/479294919.db2.gz OGRMXBDVQJRVPD-OXQOHEQNSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCCCN1 ZINC000593323106 479295167 /nfs/dbraw/zinc/29/51/67/479295167.db2.gz PRXFFHWWGDOVOE-UZLBHIALSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000593323106 479295178 /nfs/dbraw/zinc/29/51/78/479295178.db2.gz PRXFFHWWGDOVOE-UZLBHIALSA-N 1 3 326.488 2.643 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCCC[C@H]3N)CC2)c1 ZINC000593324709 479296653 /nfs/dbraw/zinc/29/66/53/479296653.db2.gz YSIKPKZGYVTGPF-WOJBJXKFSA-N 1 3 326.488 2.772 20 30 EFEDHO N#Cc1cccc(CN2CCC(N[C@@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000593324709 479296656 /nfs/dbraw/zinc/29/66/56/479296656.db2.gz YSIKPKZGYVTGPF-WOJBJXKFSA-N 1 3 326.488 2.772 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCCC[C@H]3N)CC2)c1 ZINC000593324707 479296952 /nfs/dbraw/zinc/29/69/52/479296952.db2.gz YSIKPKZGYVTGPF-UXHICEINSA-N 1 3 326.488 2.772 20 30 EFEDHO N#Cc1cccc(CN2CCC(N[C@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000593324707 479296957 /nfs/dbraw/zinc/29/69/57/479296957.db2.gz YSIKPKZGYVTGPF-UXHICEINSA-N 1 3 326.488 2.772 20 30 EFEDHO COc1ccc([C@@H](CCC#N)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000574515455 479301708 /nfs/dbraw/zinc/30/17/08/479301708.db2.gz CLGJMEXPPRJHCH-HXUWFJFHSA-N 1 3 344.503 2.657 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](C)CCC#N)cc2)CC1 ZINC000602512359 479376720 /nfs/dbraw/zinc/37/67/20/479376720.db2.gz AQYKIWBTZGPWEE-GOSISDBHSA-N 1 3 328.504 2.854 20 30 EFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000602515915 479377514 /nfs/dbraw/zinc/37/75/14/479377514.db2.gz DUZOMRKTLKQKMQ-QGZVFWFLSA-N 1 3 345.487 2.816 20 30 EFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000602583561 479409465 /nfs/dbraw/zinc/40/94/65/479409465.db2.gz ZEFIDGCPWMQNMG-QGZVFWFLSA-N 1 3 342.487 2.987 20 30 EFEDHO C[NH+]1CCC(N2CCC(NC(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000597010169 479533526 /nfs/dbraw/zinc/53/35/26/479533526.db2.gz UYTJRGGBZZIYFV-UHFFFAOYSA-N 1 3 346.519 2.525 20 30 EFEDHO C=CCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCCC1 ZINC000661852482 481362102 /nfs/dbraw/zinc/36/21/02/481362102.db2.gz WNMYJHDRLQOCDR-GOSISDBHSA-N 1 3 329.488 2.884 20 30 EFEDHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CCC[NH2+]1 ZINC000662678528 481930633 /nfs/dbraw/zinc/93/06/33/481930633.db2.gz GTQKZVBDFHHTGA-WMZOPIPTSA-N 1 3 335.517 2.946 20 30 EFEDHO CC(C)O[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198889 /nfs/dbraw/zinc/19/88/89/482198889.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 1 3 336.520 2.769 20 30 EFEDHO CC(C)O[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198896 /nfs/dbraw/zinc/19/88/96/482198896.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 1 3 336.520 2.769 20 30 EFEDHO CC(C)O[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198904 /nfs/dbraw/zinc/19/89/04/482198904.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 1 3 336.520 2.769 20 30 EFEDHO CC(C)O[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](OC(C)C)C2)C1 ZINC000649703244 482198906 /nfs/dbraw/zinc/19/89/06/482198906.db2.gz YATLFPLSORPCPA-BGYRXZFFSA-N 1 3 336.520 2.769 20 30 EFEDHO C=CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000663877362 482415222 /nfs/dbraw/zinc/41/52/22/482415222.db2.gz VPUGLKYXXRMRLZ-UHFFFAOYSA-N 1 3 348.535 2.733 20 30 EFEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000658033248 547339544 /nfs/dbraw/zinc/33/95/44/547339544.db2.gz CVJBNYOSIQSEKX-OALUTQOASA-N 1 3 335.536 2.508 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000764477037 576462831 /nfs/dbraw/zinc/46/28/31/576462831.db2.gz UHNBAELVTGLASS-UHFFFAOYSA-N 1 3 333.501 2.600 20 30 EFEDHO C#CCOc1ccccc1CN1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000769514932 577369188 /nfs/dbraw/zinc/36/91/88/577369188.db2.gz MLXBCFLQLBVXEG-IBGZPJMESA-N 1 3 330.472 2.631 20 30 EFEDHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753549223 1249827491 /nfs/dbraw/zinc/82/74/91/1249827491.db2.gz YZOWAGMMMNKVJS-IAGOWNOFSA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001753549223 1249827511 /nfs/dbraw/zinc/82/75/11/1249827511.db2.gz YZOWAGMMMNKVJS-IAGOWNOFSA-N 1 3 341.927 2.832 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707225 1250832921 /nfs/dbraw/zinc/83/29/21/1250832921.db2.gz MVHLMPHUSCNTDO-WOJBJXKFSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707225 1250832934 /nfs/dbraw/zinc/83/29/34/1250832934.db2.gz MVHLMPHUSCNTDO-WOJBJXKFSA-N 1 3 347.547 2.835 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001089683659 1252160698 /nfs/dbraw/zinc/16/06/98/1252160698.db2.gz CGCMNPMWUWONFP-MSOLQXFVSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089683659 1252160704 /nfs/dbraw/zinc/16/07/04/1252160704.db2.gz CGCMNPMWUWONFP-MSOLQXFVSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997278658 1257323506 /nfs/dbraw/zinc/32/35/06/1257323506.db2.gz IMFWKALNFASKDJ-XLIONFOSSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997278658 1257323515 /nfs/dbraw/zinc/32/35/15/1257323515.db2.gz IMFWKALNFASKDJ-XLIONFOSSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000997435030 1257580526 /nfs/dbraw/zinc/58/05/26/1257580526.db2.gz SXKPJHZXKQRMSY-GOSISDBHSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997724088 1258310586 /nfs/dbraw/zinc/31/05/86/1258310586.db2.gz IMFWKALNFASKDJ-FXAWDEMLSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997724088 1258310595 /nfs/dbraw/zinc/31/05/95/1258310595.db2.gz IMFWKALNFASKDJ-FXAWDEMLSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC=C(C)C)CC2)CC1 ZINC000997873926 1258557981 /nfs/dbraw/zinc/55/79/81/1258557981.db2.gz HNAOITJJTPVKDZ-SFHVURJKSA-N 1 3 345.531 2.515 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904976 1261726200 /nfs/dbraw/zinc/72/62/00/1261726200.db2.gz WVDJCRDRYIGXEH-CEXWTWQISA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904976 1261726208 /nfs/dbraw/zinc/72/62/08/1261726208.db2.gz WVDJCRDRYIGXEH-CEXWTWQISA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699980 1262178502 /nfs/dbraw/zinc/17/85/02/1262178502.db2.gz DYMMZHVVAIJOQH-HUUCEWRRSA-N 1 3 339.911 2.630 20 30 EFEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078820659 1262365286 /nfs/dbraw/zinc/36/52/86/1262365286.db2.gz YLMQPGMKNOCQEF-ZWKOTPCHSA-N 1 3 327.472 2.565 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486220499 1262823660 /nfs/dbraw/zinc/82/36/60/1262823660.db2.gz LWDPURCLHBMXLM-YJBOKZPZSA-N 1 3 349.906 2.989 20 30 EFEDHO C=CCN1CCC(NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000730125014 1264210345 /nfs/dbraw/zinc/21/03/45/1264210345.db2.gz KLFYNSXMWUOOOH-UHFFFAOYSA-N 1 3 344.503 2.540 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768062 1264347517 /nfs/dbraw/zinc/34/75/17/1264347517.db2.gz UHOXKVHCUPCHTR-GUDVDZBRSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768062 1264347523 /nfs/dbraw/zinc/34/75/23/1264347523.db2.gz UHOXKVHCUPCHTR-GUDVDZBRSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938984 1264712303 /nfs/dbraw/zinc/71/23/03/1264712303.db2.gz NRLBZPQIGLKFMD-QYZOEREBSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938984 1264712311 /nfs/dbraw/zinc/71/23/11/1264712311.db2.gz NRLBZPQIGLKFMD-QYZOEREBSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083104 1266450915 /nfs/dbraw/zinc/45/09/15/1266450915.db2.gz XKTQBSCLZJWDKO-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083104 1266450921 /nfs/dbraw/zinc/45/09/21/1266450921.db2.gz XKTQBSCLZJWDKO-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001085241638 1266913138 /nfs/dbraw/zinc/91/31/38/1266913138.db2.gz GWLLOLILCQGYET-HZPDHXFCSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456324 1267083253 /nfs/dbraw/zinc/08/32/53/1267083253.db2.gz DLUMMOMSMFJEKK-VQTJNVASSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456324 1267083259 /nfs/dbraw/zinc/08/32/59/1267083259.db2.gz DLUMMOMSMFJEKK-VQTJNVASSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457968 1267093516 /nfs/dbraw/zinc/09/35/16/1267093516.db2.gz MULUAOZGCMTARM-OALUTQOASA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457968 1267093527 /nfs/dbraw/zinc/09/35/27/1267093527.db2.gz MULUAOZGCMTARM-OALUTQOASA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085306975 1267106021 /nfs/dbraw/zinc/10/60/21/1267106021.db2.gz ZKWUHBYRHBVELH-GVDBMIGSSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085306975 1267106027 /nfs/dbraw/zinc/10/60/27/1267106027.db2.gz ZKWUHBYRHBVELH-GVDBMIGSSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540520 1267254119 /nfs/dbraw/zinc/25/41/19/1267254119.db2.gz RJWLVSHZTZMRKF-RBUKOAKNSA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540520 1267254131 /nfs/dbraw/zinc/25/41/31/1267254131.db2.gz RJWLVSHZTZMRKF-RBUKOAKNSA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547027 1267269008 /nfs/dbraw/zinc/26/90/08/1267269008.db2.gz KOXWBAHRKYCJJL-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004547027 1267269015 /nfs/dbraw/zinc/26/90/15/1267269015.db2.gz KOXWBAHRKYCJJL-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539546 1267281417 /nfs/dbraw/zinc/28/14/17/1267281417.db2.gz KCTWHRCAWFELPB-RTBURBONSA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539546 1267281426 /nfs/dbraw/zinc/28/14/26/1267281426.db2.gz KCTWHRCAWFELPB-RTBURBONSA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617154 1267410500 /nfs/dbraw/zinc/41/05/00/1267410500.db2.gz PBNULOVFSGEWOO-QGZVFWFLSA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004617154 1267410502 /nfs/dbraw/zinc/41/05/02/1267410502.db2.gz PBNULOVFSGEWOO-QGZVFWFLSA-N 1 3 339.911 2.538 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004619891 1267413973 /nfs/dbraw/zinc/41/39/73/1267413973.db2.gz NGSGTGRUVWQKOC-UXHICEINSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004619891 1267413976 /nfs/dbraw/zinc/41/39/76/1267413976.db2.gz NGSGTGRUVWQKOC-UXHICEINSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004620847 1267416322 /nfs/dbraw/zinc/41/63/22/1267416322.db2.gz RLLIDYKSTHRAFH-MOPGFXCFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004620847 1267416323 /nfs/dbraw/zinc/41/63/23/1267416323.db2.gz RLLIDYKSTHRAFH-MOPGFXCFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781748 1268502607 /nfs/dbraw/zinc/50/26/07/1268502607.db2.gz DMZLFFZHHBKTQJ-MOPGFXCFSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781748 1268502615 /nfs/dbraw/zinc/50/26/15/1268502615.db2.gz DMZLFFZHHBKTQJ-MOPGFXCFSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417621 1269090284 /nfs/dbraw/zinc/09/02/84/1269090284.db2.gz WMIMZOZYHGZQQN-APWZRJJASA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417621 1269090289 /nfs/dbraw/zinc/09/02/89/1269090289.db2.gz WMIMZOZYHGZQQN-APWZRJJASA-N 1 3 339.499 2.698 20 30 EFEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210128 1271361892 /nfs/dbraw/zinc/36/18/92/1271361892.db2.gz FTGBHQRSBJSJRF-QZTJIDSGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210128 1271361901 /nfs/dbraw/zinc/36/19/01/1271361901.db2.gz FTGBHQRSBJSJRF-QZTJIDSGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210127 1271362995 /nfs/dbraw/zinc/36/29/95/1271362995.db2.gz FTGBHQRSBJSJRF-MSOLQXFVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210127 1271363000 /nfs/dbraw/zinc/36/30/00/1271363000.db2.gz FTGBHQRSBJSJRF-MSOLQXFVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250438 1271425315 /nfs/dbraw/zinc/42/53/15/1271425315.db2.gz QHCVPMRUPHQETK-PKOBYXMFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250438 1271425321 /nfs/dbraw/zinc/42/53/21/1271425321.db2.gz QHCVPMRUPHQETK-PKOBYXMFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034329352 1271668449 /nfs/dbraw/zinc/66/84/49/1271668449.db2.gz GYBNGBZYJXYBCA-LJQANCHMSA-N 1 3 343.515 2.951 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331614 1271676477 /nfs/dbraw/zinc/67/64/77/1271676477.db2.gz UGJBUGYCDHORTK-RBUKOAKNSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331614 1271676483 /nfs/dbraw/zinc/67/64/83/1271676483.db2.gz UGJBUGYCDHORTK-RBUKOAKNSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404570 1271911529 /nfs/dbraw/zinc/91/15/29/1271911529.db2.gz KLKUNIKLCOLUQZ-HXUWFJFHSA-N 1 3 343.515 2.951 20 30 EFEDHO C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034479690 1272081426 /nfs/dbraw/zinc/08/14/26/1272081426.db2.gz APLOXTRDZXEVNM-RBUKOAKNSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034479690 1272081439 /nfs/dbraw/zinc/08/14/39/1272081439.db2.gz APLOXTRDZXEVNM-RBUKOAKNSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034539232 1272245435 /nfs/dbraw/zinc/24/54/35/1272245435.db2.gz YRTQWHQSTPWQRD-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034539232 1272245440 /nfs/dbraw/zinc/24/54/40/1272245440.db2.gz YRTQWHQSTPWQRD-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542913 1272254996 /nfs/dbraw/zinc/25/49/96/1272254996.db2.gz XTPJWCOOTUFGFS-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034542913 1272255000 /nfs/dbraw/zinc/25/50/00/1272255000.db2.gz XTPJWCOOTUFGFS-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001108830356 1273521466 /nfs/dbraw/zinc/52/14/66/1273521466.db2.gz KQCOUSVFVMNUOI-UHOSZYNNSA-N 1 3 341.499 2.907 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485217 1274335725 /nfs/dbraw/zinc/33/57/25/1274335725.db2.gz PZENIAYEMWFACH-MHORFTMASA-N 1 3 331.504 2.691 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485217 1274335731 /nfs/dbraw/zinc/33/57/31/1274335731.db2.gz PZENIAYEMWFACH-MHORFTMASA-N 1 3 331.504 2.691 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001035773293 1274498044 /nfs/dbraw/zinc/49/80/44/1274498044.db2.gz VTFSOOVLROHLOW-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035773293 1274498048 /nfs/dbraw/zinc/49/80/48/1274498048.db2.gz VTFSOOVLROHLOW-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035858559 1274610108 /nfs/dbraw/zinc/61/01/08/1274610108.db2.gz VSNPCYNPZSEWLK-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036302553 1275383941 /nfs/dbraw/zinc/38/39/41/1275383941.db2.gz JIJUAGIGOWBIFQ-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135996777 1276287305 /nfs/dbraw/zinc/28/73/05/1276287305.db2.gz VQLOWZZSPLNNPJ-SJORKVTESA-N 1 3 344.503 2.663 20 30 EFEDHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135996777 1276287309 /nfs/dbraw/zinc/28/73/09/1276287309.db2.gz VQLOWZZSPLNNPJ-SJORKVTESA-N 1 3 344.503 2.663 20 30 EFEDHO N#Cc1ccc([C@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000818954415 1276557471 /nfs/dbraw/zinc/55/74/71/1276557471.db2.gz VIZZPLDYHLMRRC-OAQYLSRUSA-N 1 3 335.451 2.977 20 30 EFEDHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N)N(C)C ZINC001175315537 1287398558 /nfs/dbraw/zinc/39/85/58/1287398558.db2.gz GIMHPVUNUDITCU-LPHOPBHVSA-N 1 3 344.503 2.663 20 30 EFEDHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001175316436 1287399538 /nfs/dbraw/zinc/39/95/38/1287399538.db2.gz JLAWGLZBXSDUHT-QUCCMNQESA-N 1 3 343.515 2.643 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613632 1280951946 /nfs/dbraw/zinc/95/19/46/1280951946.db2.gz ULZKVJKLFJUTST-IRXDYDNUSA-N 1 3 335.536 2.641 20 30 EFEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147558219 1281202530 /nfs/dbraw/zinc/20/25/30/1281202530.db2.gz PZHJRXPBCWIUPY-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147558219 1281202538 /nfs/dbraw/zinc/20/25/38/1281202538.db2.gz PZHJRXPBCWIUPY-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724908 1281247686 /nfs/dbraw/zinc/24/76/86/1281247686.db2.gz NDLVIVANVXEMJW-UHFFFAOYSA-N 1 3 335.536 2.975 20 30 EFEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724908 1281247692 /nfs/dbraw/zinc/24/76/92/1281247692.db2.gz NDLVIVANVXEMJW-UHFFFAOYSA-N 1 3 335.536 2.975 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291849 1281496647 /nfs/dbraw/zinc/49/66/47/1281496647.db2.gz DHBCFMDCNSNBBD-QGZVFWFLSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148291849 1281496651 /nfs/dbraw/zinc/49/66/51/1281496651.db2.gz DHBCFMDCNSNBBD-QGZVFWFLSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315548 1281515565 /nfs/dbraw/zinc/51/55/65/1281515565.db2.gz OJWGQAQAJWSPSI-QGZVFWFLSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315548 1281515575 /nfs/dbraw/zinc/51/55/75/1281515575.db2.gz OJWGQAQAJWSPSI-QGZVFWFLSA-N 1 3 335.536 2.853 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921485 1281931663 /nfs/dbraw/zinc/93/16/63/1281931663.db2.gz QQSUHXNFVDKWCQ-OALUTQOASA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921485 1281931671 /nfs/dbraw/zinc/93/16/71/1281931671.db2.gz QQSUHXNFVDKWCQ-OALUTQOASA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926769 1281947392 /nfs/dbraw/zinc/94/73/92/1281947392.db2.gz JIGHEFKHFSJRHH-RTBURBONSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926769 1281947400 /nfs/dbraw/zinc/94/74/00/1281947400.db2.gz JIGHEFKHFSJRHH-RTBURBONSA-N 1 3 345.531 2.586 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086926928 1281949913 /nfs/dbraw/zinc/94/99/13/1281949913.db2.gz NUKKKJULCCMMRC-KRWDZBQOSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942161 1281971316 /nfs/dbraw/zinc/97/13/16/1281971316.db2.gz KIIKALBKWJOMSO-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942188 1281971774 /nfs/dbraw/zinc/97/17/74/1281971774.db2.gz KVPGGXHAJPQGQI-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947230 1281986617 /nfs/dbraw/zinc/98/66/17/1281986617.db2.gz SCRXQJIQEBFRKY-RBUKOAKNSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928152 1281989898 /nfs/dbraw/zinc/98/98/98/1281989898.db2.gz WPQXSODELVMYSK-RTBURBONSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928152 1281989903 /nfs/dbraw/zinc/98/99/03/1281989903.db2.gz WPQXSODELVMYSK-RTBURBONSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071205 1282366982 /nfs/dbraw/zinc/36/69/82/1282366982.db2.gz LOSGBIXTGKTSJA-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071205 1282366991 /nfs/dbraw/zinc/36/69/91/1282366991.db2.gz LOSGBIXTGKTSJA-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298134 1282546902 /nfs/dbraw/zinc/54/69/02/1282546902.db2.gz OWLSZVHDFNVBSD-CTNGQTDRSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298134 1282546912 /nfs/dbraw/zinc/54/69/12/1282546912.db2.gz OWLSZVHDFNVBSD-CTNGQTDRSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093378986 1283835848 /nfs/dbraw/zinc/83/58/48/1283835848.db2.gz XJOBZMMMFKHGED-ROUUACIJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093378986 1283835859 /nfs/dbraw/zinc/83/58/59/1283835859.db2.gz XJOBZMMMFKHGED-ROUUACIJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132823664 1284334602 /nfs/dbraw/zinc/33/46/02/1284334602.db2.gz KBSDKZONBXTBBL-ZWKOTPCHSA-N 1 3 335.536 2.901 20 30 EFEDHO CC(C)OCCON=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000812238513 1284992737 /nfs/dbraw/zinc/99/27/37/1284992737.db2.gz YFHCZZZWUYYAHX-UHFFFAOYSA-N 1 3 333.476 2.993 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133341618 1285221023 /nfs/dbraw/zinc/22/10/23/1285221023.db2.gz JIBMSRYRGOZCJB-FUHWJXTLSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001133404006 1285355337 /nfs/dbraw/zinc/35/53/37/1285355337.db2.gz UJDCKSMIKVMVOJ-MRXNPFEDSA-N 1 3 349.906 2.786 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CCC[C@H]1C ZINC001133403833 1285355890 /nfs/dbraw/zinc/35/58/90/1285355890.db2.gz LNJLMJNAOPLWEW-MRXNPFEDSA-N 1 3 349.906 2.929 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(CC)CC ZINC001133407393 1285366213 /nfs/dbraw/zinc/36/62/13/1285366213.db2.gz GDVINHXWRNQQRD-UHFFFAOYSA-N 1 3 337.895 2.786 20 30 EFEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)CC ZINC001133410747 1285374500 /nfs/dbraw/zinc/37/45/00/1285374500.db2.gz ZCRALHODTJLOQX-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC[N@H+](C)CC ZINC001133410747 1285374512 /nfs/dbraw/zinc/37/45/12/1285374512.db2.gz ZCRALHODTJLOQX-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902617 1285382938 /nfs/dbraw/zinc/38/29/38/1285382938.db2.gz NAUKXXXOKZTSEQ-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902617 1285382943 /nfs/dbraw/zinc/38/29/43/1285382943.db2.gz NAUKXXXOKZTSEQ-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCCCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856614 1286030730 /nfs/dbraw/zinc/03/07/30/1286030730.db2.gz LITMJDMAQWHRHT-GOSISDBHSA-N 1 3 327.488 2.651 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000813752722 1286090054 /nfs/dbraw/zinc/09/00/54/1286090054.db2.gz MDEXXJRVIKUOQR-IBGZPJMESA-N 1 3 331.504 2.722 20 30 EFEDHO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095061974 1286471051 /nfs/dbraw/zinc/47/10/51/1286471051.db2.gz DJZPFHBBJCYWKW-JQHSSLGASA-N 1 3 327.472 2.517 20 30 EFEDHO COC(=O)[C@H]1CCC[N@@H+](C2CCN(C3CCC(CC#N)CC3)CC2)C1 ZINC001173341476 1286531823 /nfs/dbraw/zinc/53/18/23/1286531823.db2.gz WRACKOCWUNHSST-ADKAHSJRSA-N 1 3 347.503 2.808 20 30 EFEDHO COC(=O)[C@H]1CCC[N@H+](C2CCN(C3CCC(CC#N)CC3)CC2)C1 ZINC001173341476 1286531827 /nfs/dbraw/zinc/53/18/27/1286531827.db2.gz WRACKOCWUNHSST-ADKAHSJRSA-N 1 3 347.503 2.808 20 30 EFEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176745667 1288093133 /nfs/dbraw/zinc/09/31/33/1288093133.db2.gz CEXUSKBDDPRTPL-KRWDZBQOSA-N 1 3 329.488 2.650 20 30 EFEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746801 1288094073 /nfs/dbraw/zinc/09/40/73/1288094073.db2.gz MZFVTRKWUWMIAJ-QGZVFWFLSA-N 1 3 329.488 2.650 20 30 EFEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746800 1288094109 /nfs/dbraw/zinc/09/41/09/1288094109.db2.gz MZFVTRKWUWMIAJ-KRWDZBQOSA-N 1 3 329.488 2.650 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176753939 1288120826 /nfs/dbraw/zinc/12/08/26/1288120826.db2.gz OQOUDXHBWRIYRL-KRWDZBQOSA-N 1 3 344.503 2.663 20 30 EFEDHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC#Cc2ccccc2)c1 ZINC001176890233 1288164278 /nfs/dbraw/zinc/16/42/78/1288164278.db2.gz NUDGQFNVDMUOSB-UHFFFAOYSA-N 1 3 349.478 2.509 20 30 EFEDHO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691439 1288268537 /nfs/dbraw/zinc/26/85/37/1288268537.db2.gz URPYOLDRASFVGR-QZTJIDSGSA-N 1 3 341.540 2.574 20 30 EFEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CC(C)(C)C ZINC001177416257 1288424921 /nfs/dbraw/zinc/42/49/21/1288424921.db2.gz XSKXYKVDJRPCSY-UHFFFAOYSA-N 1 3 335.536 2.596 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001177484930 1288445555 /nfs/dbraw/zinc/44/55/55/1288445555.db2.gz ODOYYZOGIJKNNG-KDURUIRLSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001177484932 1288445811 /nfs/dbraw/zinc/44/58/11/1288445811.db2.gz ODOYYZOGIJKNNG-RTBURBONSA-N 1 3 347.547 2.881 20 30 EFEDHO C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)NCc1ccccc1C#N ZINC001135965999 1288689593 /nfs/dbraw/zinc/68/95/93/1288689593.db2.gz HGCCDCPYUAGQTE-SJORKVTESA-N 1 3 344.503 2.663 20 30 EFEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592432 1289193494 /nfs/dbraw/zinc/19/34/94/1289193494.db2.gz BIUASEFUWWSGET-UHFFFAOYSA-N 1 3 331.932 2.983 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCCC=C)CC1 ZINC001180360313 1289494860 /nfs/dbraw/zinc/49/48/60/1289494860.db2.gz CMUHXKAGUPTHKU-UHFFFAOYSA-N 1 3 333.520 2.564 20 30 EFEDHO Cn1cc(CN2CC[C@]3(C2)CCCN(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695406 1312752919 /nfs/dbraw/zinc/75/29/19/1312752919.db2.gz YTMOQTFLLXQNEL-FQEVSTJZSA-N 1 3 335.455 2.784 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001183517126 1290353588 /nfs/dbraw/zinc/35/35/88/1290353588.db2.gz QGOMUZXEMCXFTK-QGPMSJSTSA-N 1 3 341.927 2.688 20 30 EFEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001183509786 1290357403 /nfs/dbraw/zinc/35/74/03/1290357403.db2.gz NVHKDLJYTYZJEA-OXQOHEQNSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001184714365 1290498106 /nfs/dbraw/zinc/49/81/06/1290498106.db2.gz XYJZRZTWRYNSTM-ZFWWWQNUSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185168532 1290607719 /nfs/dbraw/zinc/60/77/19/1290607719.db2.gz HIHWAMXJFJFCTK-HOCLYGCPSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185168529 1290607953 /nfs/dbraw/zinc/60/79/53/1290607953.db2.gz HIHWAMXJFJFCTK-GDBMZVCRSA-N 1 3 341.927 2.545 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604200 1290999135 /nfs/dbraw/zinc/99/91/35/1290999135.db2.gz AJWZJTCIXZPDGX-LJQANCHMSA-N 1 3 347.547 2.692 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604200 1290999139 /nfs/dbraw/zinc/99/91/39/1290999139.db2.gz AJWZJTCIXZPDGX-LJQANCHMSA-N 1 3 347.547 2.692 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049466109 1312890476 /nfs/dbraw/zinc/89/04/76/1312890476.db2.gz ZJIGYAJHNNDEJJ-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049466109 1312890479 /nfs/dbraw/zinc/89/04/79/1312890479.db2.gz ZJIGYAJHNNDEJJ-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508574 1312942131 /nfs/dbraw/zinc/94/21/31/1312942131.db2.gz ZDYGIRCZLNVWAB-ZWKOTPCHSA-N 1 3 333.520 2.539 20 30 EFEDHO C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001016709624 1312938937 /nfs/dbraw/zinc/93/89/37/1312938937.db2.gz NNNPYPCUIJWRNW-INIZCTEOSA-N 1 3 344.846 2.671 20 30 EFEDHO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513954 1312949264 /nfs/dbraw/zinc/94/92/64/1312949264.db2.gz XWWAFOCUNKIGHS-SJORKVTESA-N 1 3 345.512 2.512 20 30 EFEDHO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513954 1312949268 /nfs/dbraw/zinc/94/92/68/1312949268.db2.gz XWWAFOCUNKIGHS-SJORKVTESA-N 1 3 345.512 2.512 20 30 EFEDHO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026821 1293145119 /nfs/dbraw/zinc/14/51/19/1293145119.db2.gz MJCNCKZIVFLJBU-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026821 1293145122 /nfs/dbraw/zinc/14/51/22/1293145122.db2.gz MJCNCKZIVFLJBU-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226707 1293560384 /nfs/dbraw/zinc/56/03/84/1293560384.db2.gz FGMCUJMCHTWNAS-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226707 1293560385 /nfs/dbraw/zinc/56/03/85/1293560385.db2.gz FGMCUJMCHTWNAS-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001203771801 1313011503 /nfs/dbraw/zinc/01/15/03/1313011503.db2.gz PAUFHFSZMNOUGV-OALUTQOASA-N 1 3 341.499 2.955 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016983950 1313071741 /nfs/dbraw/zinc/07/17/41/1313071741.db2.gz WYSZYSMGLBZWEE-GOSISDBHSA-N 1 3 327.472 2.519 20 30 EFEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610673 1313085280 /nfs/dbraw/zinc/08/52/80/1313085280.db2.gz AUKDXGFDLTZXQQ-UXHICEINSA-N 1 3 341.499 2.656 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1csc(-c2ccccc2)n1 ZINC000303790411 1294582145 /nfs/dbraw/zinc/58/21/45/1294582145.db2.gz WGJCCOSPORSXGT-MRXNPFEDSA-N 1 3 343.500 2.699 20 30 EFEDHO COCCN(C)CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303870244 1294593409 /nfs/dbraw/zinc/59/34/09/1294593409.db2.gz BERMOFMMSVVPMT-UHFFFAOYSA-N 1 3 332.492 2.909 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000303907941 1294601513 /nfs/dbraw/zinc/60/15/13/1294601513.db2.gz XGJDSBPCIAMAHQ-KBPBESRZSA-N 1 3 334.464 2.693 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615562 1313089063 /nfs/dbraw/zinc/08/90/63/1313089063.db2.gz LKZSVLCILFZCQK-VAMGGRTRSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615562 1313089066 /nfs/dbraw/zinc/08/90/66/1313089066.db2.gz LKZSVLCILFZCQK-VAMGGRTRSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615564 1313089502 /nfs/dbraw/zinc/08/95/02/1313089502.db2.gz LKZSVLCILFZCQK-ZCNNSNEGSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615564 1313089506 /nfs/dbraw/zinc/08/95/06/1313089506.db2.gz LKZSVLCILFZCQK-ZCNNSNEGSA-N 1 3 345.531 2.892 20 30 EFEDHO CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345900 1313109629 /nfs/dbraw/zinc/10/96/29/1313109629.db2.gz NRXZZJPHKRLPEE-RBUKOAKNSA-N 1 3 335.536 2.831 20 30 EFEDHO C=CCCCN[C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198864530 1295277741 /nfs/dbraw/zinc/27/77/41/1295277741.db2.gz BKZZCBQKKZAHNO-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO CCN(CC)c1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1F ZINC000304744706 1295748552 /nfs/dbraw/zinc/74/85/52/1295748552.db2.gz DTFCVMRRLZIVQU-MRXNPFEDSA-N 1 3 349.498 2.561 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)c1ccc(OC)cc1 ZINC000304750824 1295749046 /nfs/dbraw/zinc/74/90/46/1295749046.db2.gz ISKMERGLTOPGQF-WBVHZDCISA-N 1 3 332.492 2.577 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049766762 1313276600 /nfs/dbraw/zinc/27/66/00/1313276600.db2.gz MXSGZQZNRLHZFS-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049766762 1313276603 /nfs/dbraw/zinc/27/66/03/1313276603.db2.gz MXSGZQZNRLHZFS-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458834 1313293185 /nfs/dbraw/zinc/29/31/85/1313293185.db2.gz XLNTZALQYJBRGJ-RBUKOAKNSA-N 1 3 347.478 2.626 20 30 EFEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339015 1313296032 /nfs/dbraw/zinc/29/60/32/1313296032.db2.gz WKQYDMPBCRWYMT-RTBURBONSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235339015 1313296034 /nfs/dbraw/zinc/29/60/34/1313296034.db2.gz WKQYDMPBCRWYMT-RTBURBONSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000960318057 1296735870 /nfs/dbraw/zinc/73/58/70/1296735870.db2.gz HJRHSMXSQMETOU-WOJBJXKFSA-N 1 3 341.499 2.665 20 30 EFEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CCCO1 ZINC001201930190 1297154755 /nfs/dbraw/zinc/15/47/55/1297154755.db2.gz BLFBSQMRPLVEJG-SFHVURJKSA-N 1 3 341.540 2.506 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCCO1 ZINC001202163171 1297268363 /nfs/dbraw/zinc/26/83/63/1297268363.db2.gz CPGMCWHFLRGKEV-GOSISDBHSA-N 1 3 341.540 2.504 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849037 1313384860 /nfs/dbraw/zinc/38/48/60/1313384860.db2.gz MTLOCQKOOJKILQ-HOTGVXAUSA-N 1 3 330.476 2.719 20 30 EFEDHO 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C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384214 1300740624 /nfs/dbraw/zinc/74/06/24/1300740624.db2.gz RRAMCYVQPSZKLS-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384581 1300742965 /nfs/dbraw/zinc/74/29/65/1300742965.db2.gz VHAFAMHRZVEINK-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384581 1300742970 /nfs/dbraw/zinc/74/29/70/1300742970.db2.gz VHAFAMHRZVEINK-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC000963913401 1301468776 /nfs/dbraw/zinc/46/87/76/1301468776.db2.gz XWABMJBYEVLDSD-FHERZECASA-N 1 3 327.900 2.582 20 30 EFEDHO C[NH+]1CCC(CN2CCN(Cc3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC001238196428 1313782629 /nfs/dbraw/zinc/78/26/29/1313782629.db2.gz RGUCCYPOQRSVPY-UHFFFAOYSA-N 1 3 346.906 2.671 20 30 EFEDHO C=CC[NH2+]C1CCC(N(C)C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000964422916 1301812439 /nfs/dbraw/zinc/81/24/39/1301812439.db2.gz POTJMPHAZSUDPX-UHFFFAOYSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCN1C(=O)CCC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208185078 1313863886 /nfs/dbraw/zinc/86/38/86/1313863886.db2.gz JBCJUTNUPURCQL-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486144 1304009303 /nfs/dbraw/zinc/00/93/03/1304009303.db2.gz CKMLQLNIIFGMOL-ZBFHGGJFSA-N 1 3 335.517 2.826 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC000966486144 1304009308 /nfs/dbraw/zinc/00/93/08/1304009308.db2.gz CKMLQLNIIFGMOL-ZBFHGGJFSA-N 1 3 335.517 2.826 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1CC ZINC001037923002 1304761140 /nfs/dbraw/zinc/76/11/40/1304761140.db2.gz DMAHMNBMBNHUQM-HOTGVXAUSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC ZINC001037923001 1304761785 /nfs/dbraw/zinc/76/17/85/1304761785.db2.gz DMAHMNBMBNHUQM-CVEARBPZSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000869735529 1304942795 /nfs/dbraw/zinc/94/27/95/1304942795.db2.gz VYXQUZYQDPBRSR-OAHLLOKOSA-N 1 3 343.393 2.542 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425219 1304978486 /nfs/dbraw/zinc/97/84/86/1304978486.db2.gz YOPMAZXWBFWMCE-FXAWDEMLSA-N 1 3 343.515 2.807 20 30 EFEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001037981413 1305577995 /nfs/dbraw/zinc/57/79/95/1305577995.db2.gz DXDLJSLZXOVZMV-MJGOQNOKSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858196 1314426147 /nfs/dbraw/zinc/42/61/47/1314426147.db2.gz AAKQLBFTFSBWMH-RBUKOAKNSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858196 1314426149 /nfs/dbraw/zinc/42/61/49/1314426149.db2.gz AAKQLBFTFSBWMH-RBUKOAKNSA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673213 1306555979 /nfs/dbraw/zinc/55/59/79/1306555979.db2.gz JBIRCOYYJODGHV-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673213 1306555984 /nfs/dbraw/zinc/55/59/84/1306555984.db2.gz JBIRCOYYJODGHV-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681094 1306563274 /nfs/dbraw/zinc/56/32/74/1306563274.db2.gz GRTNYVYBJUKNDI-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681094 1306563278 /nfs/dbraw/zinc/56/32/78/1306563278.db2.gz GRTNYVYBJUKNDI-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968887862 1306760883 /nfs/dbraw/zinc/76/08/83/1306760883.db2.gz NZPRWNGKMXDYBL-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968887862 1306760889 /nfs/dbraw/zinc/76/08/89/1306760889.db2.gz NZPRWNGKMXDYBL-OALUTQOASA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044861226 1306871626 /nfs/dbraw/zinc/87/16/26/1306871626.db2.gz AQOXICJKFIVCDZ-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCCCCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001209423514 1314161187 /nfs/dbraw/zinc/16/11/87/1314161187.db2.gz WCUKKNMMQVAFEF-UHFFFAOYSA-N 1 3 331.504 2.557 20 30 EFEDHO C=CCCCCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001209423514 1314161190 /nfs/dbraw/zinc/16/11/90/1314161190.db2.gz WCUKKNMMQVAFEF-UHFFFAOYSA-N 1 3 331.504 2.557 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020518 1307263497 /nfs/dbraw/zinc/26/34/97/1307263497.db2.gz IQSXZJHRPRSBNI-AABGKKOBSA-N 1 3 341.499 2.702 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958530 1308000417 /nfs/dbraw/zinc/00/04/17/1308000417.db2.gz SUUJFFICWTUJRM-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958530 1308000421 /nfs/dbraw/zinc/00/04/21/1308000421.db2.gz SUUJFFICWTUJRM-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967081 1308023416 /nfs/dbraw/zinc/02/34/16/1308023416.db2.gz MTDJBBCKRRFJKU-ICSRJNTNSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)N(C)C)C2 ZINC001045967081 1308023422 /nfs/dbraw/zinc/02/34/22/1308023422.db2.gz MTDJBBCKRRFJKU-ICSRJNTNSA-N 1 3 335.536 2.997 20 30 EFEDHO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045973506 1308043346 /nfs/dbraw/zinc/04/33/46/1308043346.db2.gz SCOKBLHBPIUSAM-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045973506 1308043351 /nfs/dbraw/zinc/04/33/51/1308043351.db2.gz SCOKBLHBPIUSAM-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853238 1309528139 /nfs/dbraw/zinc/52/81/39/1309528139.db2.gz UPTQTGVHPOGKAJ-FQEVSTJZSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853238 1309528147 /nfs/dbraw/zinc/52/81/47/1309528147.db2.gz UPTQTGVHPOGKAJ-FQEVSTJZSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001047225407 1310351963 /nfs/dbraw/zinc/35/19/63/1310351963.db2.gz DIQLOBUXPQPSFV-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047254418 1310426012 /nfs/dbraw/zinc/42/60/12/1310426012.db2.gz PJGVSEAYLAHMSS-VQTJNVASSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221940434 1311056625 /nfs/dbraw/zinc/05/66/25/1311056625.db2.gz FKINULHPSSSUOI-RTBURBONSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099491138 1311097719 /nfs/dbraw/zinc/09/77/19/1311097719.db2.gz YTSVOENSMPSAOP-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099491138 1311097721 /nfs/dbraw/zinc/09/77/21/1311097721.db2.gz YTSVOENSMPSAOP-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001222818247 1311187944 /nfs/dbraw/zinc/18/79/44/1311187944.db2.gz VAQCRRMVIZANDH-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001222818247 1311187945 /nfs/dbraw/zinc/18/79/45/1311187945.db2.gz VAQCRRMVIZANDH-QRVBRYPASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489766 1311267516 /nfs/dbraw/zinc/26/75/16/1311267516.db2.gz VYDBHLPEVNHXDB-QYZOEREBSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489766 1311267519 /nfs/dbraw/zinc/26/75/19/1311267519.db2.gz VYDBHLPEVNHXDB-QYZOEREBSA-N 1 3 335.536 2.996 20 30 EFEDHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cccc(C#N)c1F)C2 ZINC001277006825 1311450326 /nfs/dbraw/zinc/45/03/26/1311450326.db2.gz GAKZOTDAKALMSH-FQEVSTJZSA-N 1 3 344.478 2.547 20 30 EFEDHO C#CCN1CCC(C(=O)NCC2CC[NH+]([C@@H](C)CCC=C)CC2)CC1 ZINC001225557917 1311542597 /nfs/dbraw/zinc/54/25/97/1311542597.db2.gz WFYFAALVNYKSKH-SFHVURJKSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CC[C@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160324 1311770125 /nfs/dbraw/zinc/77/01/25/1311770125.db2.gz FWFWTHZGVGCPHQ-INIZCTEOSA-N 1 3 331.504 2.662 20 30 EFEDHO C#CC[C@@H](C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160325 1311770399 /nfs/dbraw/zinc/77/03/99/1311770399.db2.gz FWFWTHZGVGCPHQ-MRXNPFEDSA-N 1 3 331.504 2.662 20 30 EFEDHO C=C1C[NH2+][C@](C)(C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC001160958232 1311821549 /nfs/dbraw/zinc/82/15/49/1311821549.db2.gz XXGXJLCVBQTHCH-CUWPLCDZSA-N 1 3 341.499 2.664 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703100 1311842347 /nfs/dbraw/zinc/84/23/47/1311842347.db2.gz BKCGJAJKZVUQGE-QRVBRYPASA-N 1 3 333.520 2.844 20 30 EFEDHO C#CCC[N@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161930761 1312005932 /nfs/dbraw/zinc/00/59/32/1312005932.db2.gz INVIVEZWPXEXCO-UHFFFAOYSA-N 1 3 339.483 2.524 20 30 EFEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161930761 1312005935 /nfs/dbraw/zinc/00/59/35/1312005935.db2.gz INVIVEZWPXEXCO-UHFFFAOYSA-N 1 3 339.483 2.524 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)N(C)C ZINC001162832425 1312186622 /nfs/dbraw/zinc/18/66/22/1312186622.db2.gz SJXQXDYJNJAZDB-HXUWFJFHSA-N 1 3 343.515 2.564 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)N(C)C ZINC001162832661 1312187065 /nfs/dbraw/zinc/18/70/65/1312187065.db2.gz YLUGLMBHCWVLSS-HXUWFJFHSA-N 1 3 343.515 2.564 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679449 1312202846 /nfs/dbraw/zinc/20/28/46/1312202846.db2.gz FRBLAGIKIHKHLW-GOSISDBHSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001162964073 1312213271 /nfs/dbraw/zinc/21/32/71/1312213271.db2.gz SBCLTIQMMGODQC-UHFFFAOYSA-N 1 3 343.515 2.565 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162987835 1312219680 /nfs/dbraw/zinc/21/96/80/1312219680.db2.gz ZBSGFONSGBEBJZ-UHFFFAOYSA-N 1 3 331.504 2.565 20 30 EFEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001163006635 1312224471 /nfs/dbraw/zinc/22/44/71/1312224471.db2.gz HDOCLWMTKIVOKC-FQEVSTJZSA-N 1 3 343.515 2.708 20 30 EFEDHO C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163006238 1312224613 /nfs/dbraw/zinc/22/46/13/1312224613.db2.gz AONFPYUNOXFOGD-UHFFFAOYSA-N 1 3 345.531 2.954 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001230575901 1312271378 /nfs/dbraw/zinc/27/13/78/1312271378.db2.gz SIBWYQHQPZQOTA-RTBURBONSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001230575901 1312271382 /nfs/dbraw/zinc/27/13/82/1312271382.db2.gz SIBWYQHQPZQOTA-RTBURBONSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001230598099 1312278488 /nfs/dbraw/zinc/27/84/88/1312278488.db2.gz FKTLAYMAKFIHMW-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001230598099 1312278491 /nfs/dbraw/zinc/27/84/91/1312278491.db2.gz FKTLAYMAKFIHMW-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627110 1312288605 /nfs/dbraw/zinc/28/86/05/1312288605.db2.gz AXOIDTLCMFLQDF-IBGZPJMESA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230627110 1312288609 /nfs/dbraw/zinc/28/86/09/1312288609.db2.gz AXOIDTLCMFLQDF-IBGZPJMESA-N 1 3 335.536 2.996 20 30 EFEDHO CN(C)C1(CNc2ccc(C#C[Si](C)(C)C)nc2)CC[NH+](C)CC1 ZINC001164216492 1312470603 /nfs/dbraw/zinc/47/06/03/1312470603.db2.gz DQZAXUGKOHUKEC-UHFFFAOYSA-N 1 3 344.579 2.748 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165492330 1312638030 /nfs/dbraw/zinc/63/80/30/1312638030.db2.gz QNEBRZNWQGJRAX-INIZCTEOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492330 1312638033 /nfs/dbraw/zinc/63/80/33/1312638033.db2.gz QNEBRZNWQGJRAX-INIZCTEOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233471 1314460975 /nfs/dbraw/zinc/46/09/75/1314460975.db2.gz GCZYJDUTBDFUTJ-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO CCCCCCCCCC[C@H](O)C[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001245970253 1314557013 /nfs/dbraw/zinc/55/70/13/1314557013.db2.gz BPKAOKLUMAIQGF-OKZBNKHCSA-N 1 3 332.504 2.530 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030021 1314604201 /nfs/dbraw/zinc/60/42/01/1314604201.db2.gz ZYAZJLJZUVRVFC-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030021 1314604206 /nfs/dbraw/zinc/60/42/06/1314604206.db2.gz ZYAZJLJZUVRVFC-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047040 1314631705 /nfs/dbraw/zinc/63/17/05/1314631705.db2.gz OZDCVVIYWTVHEY-UXHICEINSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053047040 1314631709 /nfs/dbraw/zinc/63/17/09/1314631709.db2.gz OZDCVVIYWTVHEY-UXHICEINSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CNCCC[C@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246597993 1314654493 /nfs/dbraw/zinc/65/44/93/1314654493.db2.gz YMLYFTBAHDEVOI-DYUPNXQLSA-N 1 3 346.515 2.986 20 30 EFEDHO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CNCCC[C@]4(C(=O)OCC)C3)C[C@H](C1)C2 ZINC001246597993 1314654498 /nfs/dbraw/zinc/65/44/98/1314654498.db2.gz YMLYFTBAHDEVOI-DYUPNXQLSA-N 1 3 346.515 2.986 20 30 EFEDHO CCCCCCC[C@@H](CCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246626742 1314660254 /nfs/dbraw/zinc/66/02/54/1314660254.db2.gz KOCGXKFJFNRLPU-XLIONFOSSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCC[C@@H](CCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246626742 1314660257 /nfs/dbraw/zinc/66/02/57/1314660257.db2.gz KOCGXKFJFNRLPU-XLIONFOSSA-N 1 3 335.536 2.927 20 30 EFEDHO N#C[C@H]1CNC[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217834372 1315116325 /nfs/dbraw/zinc/11/63/25/1315116325.db2.gz WZULTFURAYJFKE-LPHOPBHVSA-N 1 3 325.457 2.851 20 30 EFEDHO C[C@@H]([NH3+])c1cccc(C(=O)Nc2sc3c(c2C#N)CCNC3)c1 ZINC001218553798 1315214686 /nfs/dbraw/zinc/21/46/86/1315214686.db2.gz ROEXWVVOCGYFHP-SNVBAGLBSA-N 1 3 326.425 2.537 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132901 1315343660 /nfs/dbraw/zinc/34/36/60/1315343660.db2.gz RHMRKSPQOGJOKZ-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132901 1315343663 /nfs/dbraw/zinc/34/36/63/1315343663.db2.gz RHMRKSPQOGJOKZ-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145519 1315365684 /nfs/dbraw/zinc/36/56/84/1315365684.db2.gz RDIJOIFXWZAJMH-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145519 1315365687 /nfs/dbraw/zinc/36/56/87/1315365687.db2.gz RDIJOIFXWZAJMH-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209883 1315461623 /nfs/dbraw/zinc/46/16/23/1315461623.db2.gz ZVIPDBSEJOWCIS-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209883 1315461627 /nfs/dbraw/zinc/46/16/27/1315461627.db2.gz ZVIPDBSEJOWCIS-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039128327 1315508966 /nfs/dbraw/zinc/50/89/66/1315508966.db2.gz WKYXVBXYJFAGJC-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039128327 1315508970 /nfs/dbraw/zinc/50/89/70/1315508970.db2.gz WKYXVBXYJFAGJC-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039137206 1315524125 /nfs/dbraw/zinc/52/41/25/1315524125.db2.gz QSYCFFZARWPCJR-IAGOWNOFSA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039137206 1315524129 /nfs/dbraw/zinc/52/41/29/1315524129.db2.gz QSYCFFZARWPCJR-IAGOWNOFSA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159543 1315556592 /nfs/dbraw/zinc/55/65/92/1315556592.db2.gz QSYCFFZARWPCJR-SJORKVTESA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159543 1315556595 /nfs/dbraw/zinc/55/65/95/1315556595.db2.gz QSYCFFZARWPCJR-SJORKVTESA-N 1 3 341.927 2.640 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213462 1315629818 /nfs/dbraw/zinc/62/98/18/1315629818.db2.gz KDGBGCDMLCTJKN-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213462 1315629820 /nfs/dbraw/zinc/62/98/20/1315629820.db2.gz KDGBGCDMLCTJKN-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO N#C[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038464 1315667916 /nfs/dbraw/zinc/66/79/16/1315667916.db2.gz IKRYVGNAFDXSIS-SFHVURJKSA-N 1 3 327.472 2.639 20 30 EFEDHO N#C[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038464 1315667919 /nfs/dbraw/zinc/66/79/19/1315667919.db2.gz IKRYVGNAFDXSIS-SFHVURJKSA-N 1 3 327.472 2.639 20 30 EFEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039277381 1315698471 /nfs/dbraw/zinc/69/84/71/1315698471.db2.gz MVSUACJHCSFASV-AYHJJNSGSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(N(C)C)CCC1 ZINC001039280525 1315699763 /nfs/dbraw/zinc/69/97/63/1315699763.db2.gz PGQAEMRLNYAGOQ-MQVJKMGUSA-N 1 3 339.911 2.725 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157764 1315746120 /nfs/dbraw/zinc/74/61/20/1315746120.db2.gz LAKQRNCQUOHHPF-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157764 1315746121 /nfs/dbraw/zinc/74/61/21/1315746121.db2.gz LAKQRNCQUOHHPF-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415746 1315776382 /nfs/dbraw/zinc/77/63/82/1315776382.db2.gz UHEWDHQLHKYRBM-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415746 1315776384 /nfs/dbraw/zinc/77/63/84/1315776384.db2.gz UHEWDHQLHKYRBM-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474472 1315817563 /nfs/dbraw/zinc/81/75/63/1315817563.db2.gz KBKCKALTTPJXAS-AABGKKOBSA-N 1 3 345.531 2.586 20 30 EFEDHO Cn1cc(CN2CCCC23CC[NH+](C2CCC(C#N)CC2)CC3)cn1 ZINC001256968022 1316015646 /nfs/dbraw/zinc/01/56/46/1316015646.db2.gz PEHKRSAPAUUCIG-UHFFFAOYSA-N 1 3 341.503 2.933 20 30 EFEDHO C=CCN1C(=O)CCC12CC[NH+](C1CCN(CC(C)C)CC1)CC2 ZINC001258012040 1316110072 /nfs/dbraw/zinc/11/00/72/1316110072.db2.gz PBWCZRZLHLRXTK-UHFFFAOYSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258717159 1316172930 /nfs/dbraw/zinc/17/29/30/1316172930.db2.gz JGBUPWYLDRZGNC-IEBWSBKVSA-N 1 3 343.515 2.746 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391989 1316238773 /nfs/dbraw/zinc/23/87/73/1316238773.db2.gz RYNVFGAIMCLAGN-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391989 1316238776 /nfs/dbraw/zinc/23/87/76/1316238776.db2.gz RYNVFGAIMCLAGN-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487713 1316289730 /nfs/dbraw/zinc/28/97/30/1316289730.db2.gz GNAZEIRBSJSWAY-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487713 1316289734 /nfs/dbraw/zinc/28/97/34/1316289734.db2.gz GNAZEIRBSJSWAY-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545567 1316316650 /nfs/dbraw/zinc/31/66/50/1316316650.db2.gz QWXYVPYFKYTNPH-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545567 1316316653 /nfs/dbraw/zinc/31/66/53/1316316653.db2.gz QWXYVPYFKYTNPH-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845391 1316731490 /nfs/dbraw/zinc/73/14/90/1316731490.db2.gz XTMSTLMZISAJAF-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845391 1316731492 /nfs/dbraw/zinc/73/14/92/1316731492.db2.gz XTMSTLMZISAJAF-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@H]21 ZINC001042162161 1316921985 /nfs/dbraw/zinc/92/19/85/1316921985.db2.gz GRPLJAXHENWDBY-AZUAARDMSA-N 1 3 341.499 2.513 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186184 1316939567 /nfs/dbraw/zinc/93/95/67/1316939567.db2.gz DRYMYKSFZBRYNY-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186184 1316939569 /nfs/dbraw/zinc/93/95/69/1316939569.db2.gz DRYMYKSFZBRYNY-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO Cn1cc(C[N@@H+]2CCC3(C2)CCN(Cc2ccccn2)CC3)cc1C#N ZINC001279172316 1317203453 /nfs/dbraw/zinc/20/34/53/1317203453.db2.gz AKCSWZYQJCJSTE-UHFFFAOYSA-N 1 3 349.482 2.780 20 30 EFEDHO Cn1cc(C[N@H+]2CCC3(C2)CCN(Cc2ccccn2)CC3)cc1C#N ZINC001279172316 1317203461 /nfs/dbraw/zinc/20/34/61/1317203461.db2.gz AKCSWZYQJCJSTE-UHFFFAOYSA-N 1 3 349.482 2.780 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369235 1317225195 /nfs/dbraw/zinc/22/51/95/1317225195.db2.gz VALNDHDKUDGVAW-YLJYHZDGSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369235 1317225203 /nfs/dbraw/zinc/22/52/03/1317225203.db2.gz VALNDHDKUDGVAW-YLJYHZDGSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001341072301 1332231658 /nfs/dbraw/zinc/23/16/58/1332231658.db2.gz OIMROIRRZCRGBW-RTBURBONSA-N 1 3 345.487 2.632 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001341585773 1332269536 /nfs/dbraw/zinc/26/95/36/1332269536.db2.gz RPUOOWWGJDBICO-MRXNPFEDSA-N 1 3 330.476 2.815 20 30 EFEDHO N#Cc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849061744 1335064221 /nfs/dbraw/zinc/06/42/21/1335064221.db2.gz GFQYIAKEDZMFNA-UHFFFAOYSA-N 1 3 347.466 2.837 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570789 1335316744 /nfs/dbraw/zinc/31/67/44/1335316744.db2.gz OZFKADNGEMVWAX-UHOSZYNNSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570789 1335316746 /nfs/dbraw/zinc/31/67/46/1335316746.db2.gz OZFKADNGEMVWAX-UHOSZYNNSA-N 1 3 329.488 2.697 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001367319599 1338616647 /nfs/dbraw/zinc/61/66/47/1338616647.db2.gz KROYYMOWNMWKHT-HNNXBMFYSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001367319599 1338616651 /nfs/dbraw/zinc/61/66/51/1338616651.db2.gz KROYYMOWNMWKHT-HNNXBMFYSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001374424903 1341905746 /nfs/dbraw/zinc/90/57/46/1341905746.db2.gz FVEXWFRWTGCLNM-INIZCTEOSA-N 1 3 343.943 2.981 20 30 EFEDHO C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001375593294 1342910746 /nfs/dbraw/zinc/91/07/46/1342910746.db2.gz HAYNKRPHNOGLMF-KRWDZBQOSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001375593294 1342910749 /nfs/dbraw/zinc/91/07/49/1342910749.db2.gz HAYNKRPHNOGLMF-KRWDZBQOSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928973 1345434401 /nfs/dbraw/zinc/43/44/01/1345434401.db2.gz SOOCDPHONYFBOD-RDJZCZTQSA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001382530297 1348995776 /nfs/dbraw/zinc/99/57/76/1348995776.db2.gz HYPXUHPTRMDWRC-HNNXBMFYSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001382530299 1348996231 /nfs/dbraw/zinc/99/62/31/1348996231.db2.gz HYPXUHPTRMDWRC-OAHLLOKOSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCC1 ZINC001400950983 1362290938 /nfs/dbraw/zinc/29/09/38/1362290938.db2.gz FQHXXYRJTNSVBH-INIZCTEOSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001400950983 1362290944 /nfs/dbraw/zinc/29/09/44/1362290944.db2.gz FQHXXYRJTNSVBH-INIZCTEOSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)CNC[C@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001401083977 1362427568 /nfs/dbraw/zinc/42/75/68/1362427568.db2.gz WSAYRDTWGPPLQR-IBGZPJMESA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H](C)C1 ZINC001402064556 1363371556 /nfs/dbraw/zinc/37/15/56/1363371556.db2.gz ZMHNBNLPQNORTN-CABCVRRESA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890806 1373377791 /nfs/dbraw/zinc/37/77/91/1373377791.db2.gz IBMCPPQGPGOJPG-SJORKVTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419831247 1375952524 /nfs/dbraw/zinc/95/25/24/1375952524.db2.gz NQVDLNPABBUUCI-CVEARBPZSA-N 1 3 343.943 2.934 20 30 EFEDHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438344429 1388522429 /nfs/dbraw/zinc/52/24/29/1388522429.db2.gz ZQNHDDINNRAJDE-GOSISDBHSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001422045776 1379537817 /nfs/dbraw/zinc/53/78/17/1379537817.db2.gz FKGYVVARFZNNDU-IAGOWNOFSA-N 1 3 341.927 2.688 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132670 713468253 /nfs/dbraw/zinc/46/82/53/713468253.db2.gz AUQHMKWWYYZCAS-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132670 713468255 /nfs/dbraw/zinc/46/82/55/713468255.db2.gz AUQHMKWWYYZCAS-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134328 713469914 /nfs/dbraw/zinc/46/99/14/713469914.db2.gz PFAFNGQJRFACAN-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134328 713469916 /nfs/dbraw/zinc/46/99/16/713469916.db2.gz PFAFNGQJRFACAN-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569497 717960509 /nfs/dbraw/zinc/96/05/09/717960509.db2.gz CSJPIXPZMQENCA-IBGZPJMESA-N 1 3 343.515 2.951 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669955 714271348 /nfs/dbraw/zinc/27/13/48/714271348.db2.gz IYUICCCBCOPWKE-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669955 714271349 /nfs/dbraw/zinc/27/13/49/714271349.db2.gz IYUICCCBCOPWKE-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980239044 717967641 /nfs/dbraw/zinc/96/76/41/717967641.db2.gz CCCWBJFCAZYLKN-SLFFLAALSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980239044 717967644 /nfs/dbraw/zinc/96/76/44/717967644.db2.gz CCCWBJFCAZYLKN-SLFFLAALSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739993 714403811 /nfs/dbraw/zinc/40/38/11/714403811.db2.gz PXULICSVHINRQP-PMACEKPBSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739993 714403812 /nfs/dbraw/zinc/40/38/12/714403812.db2.gz PXULICSVHINRQP-PMACEKPBSA-N 1 3 341.499 2.861 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617867 718027012 /nfs/dbraw/zinc/02/70/12/718027012.db2.gz MHBGODALIBDDHI-PMACEKPBSA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617867 718027014 /nfs/dbraw/zinc/02/70/14/718027014.db2.gz MHBGODALIBDDHI-PMACEKPBSA-N 1 3 345.531 2.778 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610433 715691528 /nfs/dbraw/zinc/69/15/28/715691528.db2.gz MILDXHVTWWMPMJ-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009610433 715691531 /nfs/dbraw/zinc/69/15/31/715691531.db2.gz MILDXHVTWWMPMJ-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978953517 716599794 /nfs/dbraw/zinc/59/97/94/716599794.db2.gz UIGBBTSUWDPQQT-OKYOBFRVSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC000978953517 716599796 /nfs/dbraw/zinc/59/97/96/716599796.db2.gz UIGBBTSUWDPQQT-OKYOBFRVSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979073791 716704988 /nfs/dbraw/zinc/70/49/88/716704988.db2.gz BAOCDFBSTXVZJW-OWZKRDHZSA-N 1 3 341.499 2.622 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979073791 716704996 /nfs/dbraw/zinc/70/49/96/716704996.db2.gz BAOCDFBSTXVZJW-OWZKRDHZSA-N 1 3 341.499 2.622 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763546 716975651 /nfs/dbraw/zinc/97/56/51/716975651.db2.gz RWEXPHNGFUMXIZ-KRWDZBQOSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763546 716975656 /nfs/dbraw/zinc/97/56/56/716975656.db2.gz RWEXPHNGFUMXIZ-KRWDZBQOSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173742 717857289 /nfs/dbraw/zinc/85/72/89/717857289.db2.gz SRDLZJCAFCEVEG-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173742 717857293 /nfs/dbraw/zinc/85/72/93/717857293.db2.gz SRDLZJCAFCEVEG-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024647972 718056128 /nfs/dbraw/zinc/05/61/28/718056128.db2.gz CHPAPIHBPVOCRA-FQEVSTJZSA-N 1 3 343.515 2.951 20 30 EFEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750131 718136415 /nfs/dbraw/zinc/13/64/15/718136415.db2.gz MLMPZSGKWGZAHW-IBGZPJMESA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750132 718136471 /nfs/dbraw/zinc/13/64/71/718136471.db2.gz MLMPZSGKWGZAHW-LJQANCHMSA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981270620 718583123 /nfs/dbraw/zinc/58/31/23/718583123.db2.gz JCNWQAJZGHJGAA-HUUCEWRRSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538714 718797683 /nfs/dbraw/zinc/79/76/83/718797683.db2.gz RQNSTHIJVQPUOC-OALUTQOASA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538715 718797689 /nfs/dbraw/zinc/79/76/89/718797689.db2.gz RQNSTHIJVQPUOC-RBUKOAKNSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137026 719121832 /nfs/dbraw/zinc/12/18/32/719121832.db2.gz DKVLUVRXDUKCBN-IBGZPJMESA-N 1 3 329.488 2.561 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624061 719241917 /nfs/dbraw/zinc/24/19/17/719241917.db2.gz AXUSACMIRKLBNW-FXAWDEMLSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624061 719241918 /nfs/dbraw/zinc/24/19/18/719241918.db2.gz AXUSACMIRKLBNW-FXAWDEMLSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628861 719252000 /nfs/dbraw/zinc/25/20/00/719252000.db2.gz XIGXUJGXPRSLLG-XLIONFOSSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628861 719252002 /nfs/dbraw/zinc/25/20/02/719252002.db2.gz XIGXUJGXPRSLLG-XLIONFOSSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630217 719255740 /nfs/dbraw/zinc/25/57/40/719255740.db2.gz RACLELDTBSOYGV-IRXDYDNUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630217 719255743 /nfs/dbraw/zinc/25/57/43/719255743.db2.gz RACLELDTBSOYGV-IRXDYDNUSA-N 1 3 329.488 2.765 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630940 719258512 /nfs/dbraw/zinc/25/85/12/719258512.db2.gz XDEVIKGXTILSIX-QZTJIDSGSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630940 719258513 /nfs/dbraw/zinc/25/85/13/719258513.db2.gz XDEVIKGXTILSIX-QZTJIDSGSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052763 719507811 /nfs/dbraw/zinc/50/78/11/719507811.db2.gz ZJEQAHCHZWWVMU-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052763 719507814 /nfs/dbraw/zinc/50/78/14/719507814.db2.gz ZJEQAHCHZWWVMU-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275481 719773766 /nfs/dbraw/zinc/77/37/66/719773766.db2.gz IRSVFHDLRDTKHQ-YSIASYRMSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275481 719773769 /nfs/dbraw/zinc/77/37/69/719773769.db2.gz IRSVFHDLRDTKHQ-YSIASYRMSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292536 719822358 /nfs/dbraw/zinc/82/23/58/719822358.db2.gz NWVJCKDIOYZHMQ-SESVDKBCSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292536 719822364 /nfs/dbraw/zinc/82/23/64/719822364.db2.gz NWVJCKDIOYZHMQ-SESVDKBCSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001026266319 720073501 /nfs/dbraw/zinc/07/35/01/720073501.db2.gz DTBFGECPNDEUHN-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)CC1 ZINC001026609700 720820002 /nfs/dbraw/zinc/82/00/02/720820002.db2.gz SMNDPZPIRVDDTH-UHFFFAOYSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757322 721393526 /nfs/dbraw/zinc/39/35/26/721393526.db2.gz HQGZZDPHPYFDLO-QZTJIDSGSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757322 721393531 /nfs/dbraw/zinc/39/35/31/721393531.db2.gz HQGZZDPHPYFDLO-QZTJIDSGSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757328 721393585 /nfs/dbraw/zinc/39/35/85/721393585.db2.gz HQGZZDPHPYFDLO-ZWKOTPCHSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757328 721393589 /nfs/dbraw/zinc/39/35/89/721393589.db2.gz HQGZZDPHPYFDLO-ZWKOTPCHSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862408 721484252 /nfs/dbraw/zinc/48/42/52/721484252.db2.gz KAPAYQNZGPADCX-ZWKOTPCHSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862408 721484254 /nfs/dbraw/zinc/48/42/54/721484254.db2.gz KAPAYQNZGPADCX-ZWKOTPCHSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000338 722616576 /nfs/dbraw/zinc/61/65/76/722616576.db2.gz BOMBQFLSXZKSRD-KRWDZBQOSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000338 722616577 /nfs/dbraw/zinc/61/65/77/722616577.db2.gz BOMBQFLSXZKSRD-KRWDZBQOSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985804466 724899105 /nfs/dbraw/zinc/89/91/05/724899105.db2.gz PVISKXUTHXGLBN-UHFFFAOYSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985804466 724899108 /nfs/dbraw/zinc/89/91/08/724899108.db2.gz PVISKXUTHXGLBN-UHFFFAOYSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985805894 724899479 /nfs/dbraw/zinc/89/94/79/724899479.db2.gz ZMCNEIQGUQXSKA-UHFFFAOYSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985805894 724899480 /nfs/dbraw/zinc/89/94/80/724899480.db2.gz ZMCNEIQGUQXSKA-UHFFFAOYSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992017333 725465828 /nfs/dbraw/zinc/46/58/28/725465828.db2.gz ZNEWJOWSSNCGCC-QWFCFKBJSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992017333 725465832 /nfs/dbraw/zinc/46/58/32/725465832.db2.gz ZNEWJOWSSNCGCC-QWFCFKBJSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040728070 725735306 /nfs/dbraw/zinc/73/53/06/725735306.db2.gz ZGMDWLLITFYHGI-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000987551434 725748378 /nfs/dbraw/zinc/74/83/78/725748378.db2.gz OCOALCAAWQXQGP-PBHICJAKSA-N 1 3 335.879 2.693 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992508323 725911683 /nfs/dbraw/zinc/91/16/83/725911683.db2.gz LUKKDBDMGFXCRN-QUCCMNQESA-N 1 3 327.472 2.661 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992508323 725911684 /nfs/dbraw/zinc/91/16/84/725911684.db2.gz LUKKDBDMGFXCRN-QUCCMNQESA-N 1 3 327.472 2.661 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992508304 725911716 /nfs/dbraw/zinc/91/17/16/725911716.db2.gz LUKKDBDMGFXCRN-AZUAARDMSA-N 1 3 327.472 2.661 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992508304 725911717 /nfs/dbraw/zinc/91/17/17/725911717.db2.gz LUKKDBDMGFXCRN-AZUAARDMSA-N 1 3 327.472 2.661 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630191 727348591 /nfs/dbraw/zinc/34/85/91/727348591.db2.gz KNSXLVKKULWFSV-XLIONFOSSA-N 1 3 343.515 2.950 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503545 727772812 /nfs/dbraw/zinc/77/28/12/727772812.db2.gz WDXWTPNCQIHFNE-IEBWSBKVSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)[C@@H]2C)CC1 ZINC000994503545 727772814 /nfs/dbraw/zinc/77/28/14/727772814.db2.gz WDXWTPNCQIHFNE-IEBWSBKVSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503559 727772978 /nfs/dbraw/zinc/77/29/78/727772978.db2.gz WDXWTPNCQIHFNE-PKOBYXMFSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)[C@H]2C)CC1 ZINC000994503559 727772982 /nfs/dbraw/zinc/77/29/82/727772982.db2.gz WDXWTPNCQIHFNE-PKOBYXMFSA-N 1 3 347.547 2.737 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994503342 727773001 /nfs/dbraw/zinc/77/30/01/727773001.db2.gz VHXDRASYZLPVDV-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994503342 727773002 /nfs/dbraw/zinc/77/30/02/727773002.db2.gz VHXDRASYZLPVDV-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO COc1ccccc1CNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000170909624 728494347 /nfs/dbraw/zinc/49/43/47/728494347.db2.gz OQXNMELUQXLKGF-KXBFYZLASA-N 1 3 332.492 2.610 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(OC)ccc2ccccc21 ZINC000170911127 728494484 /nfs/dbraw/zinc/49/44/84/728494484.db2.gz UJWJOHNVONTBGQ-INIZCTEOSA-N 1 3 340.471 2.737 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829346 728529304 /nfs/dbraw/zinc/52/93/04/728529304.db2.gz LAAQCRIIUKUKBM-MOPGFXCFSA-N 1 3 333.520 2.586 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000948829346 728529306 /nfs/dbraw/zinc/52/93/06/728529306.db2.gz LAAQCRIIUKUKBM-MOPGFXCFSA-N 1 3 333.520 2.586 20 30 EFEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001574849782 1088119394 /nfs/dbraw/zinc/11/93/94/1088119394.db2.gz QUTMHMMOCFHDNW-ROUUACIJSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001574849782 1088119404 /nfs/dbraw/zinc/11/94/04/1088119404.db2.gz QUTMHMMOCFHDNW-ROUUACIJSA-N 1 3 349.906 2.968 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001574849782 1088119413 /nfs/dbraw/zinc/11/94/13/1088119413.db2.gz QUTMHMMOCFHDNW-ROUUACIJSA-N 1 3 349.906 2.968 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001574902791 1088143731 /nfs/dbraw/zinc/14/37/31/1088143731.db2.gz GXUNIZWCIMHGMQ-MOPGFXCFSA-N 1 3 329.488 2.932 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CC[C@@H]([NH3+])C1 ZINC001574954669 1088170637 /nfs/dbraw/zinc/17/06/37/1088170637.db2.gz PKIQXZNDOFFOHX-JKSUJKDBSA-N 1 3 349.548 2.712 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](N)CCCCC#N ZINC001579738564 1090676026 /nfs/dbraw/zinc/67/60/26/1090676026.db2.gz QWSIJCFDKAPBGA-YQVWRLOYSA-N 1 3 340.471 2.541 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H](N)CCCCC#N ZINC001579738564 1090676027 /nfs/dbraw/zinc/67/60/27/1090676027.db2.gz QWSIJCFDKAPBGA-YQVWRLOYSA-N 1 3 340.471 2.541 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@H]([NH3+])CCCCC#N ZINC001579738564 1090676030 /nfs/dbraw/zinc/67/60/30/1090676030.db2.gz QWSIJCFDKAPBGA-YQVWRLOYSA-N 1 3 340.471 2.541 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@H](N)CCCCC#N ZINC001579738561 1090676210 /nfs/dbraw/zinc/67/62/10/1090676210.db2.gz QWSIJCFDKAPBGA-SCTDSRPQSA-N 1 3 340.471 2.541 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H](N)CCCCC#N ZINC001579738561 1090676212 /nfs/dbraw/zinc/67/62/12/1090676212.db2.gz QWSIJCFDKAPBGA-SCTDSRPQSA-N 1 3 340.471 2.541 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H]([NH3+])CCCCC#N ZINC001579738561 1090676214 /nfs/dbraw/zinc/67/62/14/1090676214.db2.gz QWSIJCFDKAPBGA-SCTDSRPQSA-N 1 3 340.471 2.541 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454311 1093047493 /nfs/dbraw/zinc/04/74/93/1093047493.db2.gz QJCHRIIOBBUFIW-AZUAARDMSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454311 1093047498 /nfs/dbraw/zinc/04/74/98/1093047498.db2.gz QJCHRIIOBBUFIW-AZUAARDMSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458834 1093237450 /nfs/dbraw/zinc/23/74/50/1093237450.db2.gz QJCHRIIOBBUFIW-QUCCMNQESA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458834 1093237454 /nfs/dbraw/zinc/23/74/54/1093237454.db2.gz QJCHRIIOBBUFIW-QUCCMNQESA-N 1 3 347.547 2.691 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588817 1094365115 /nfs/dbraw/zinc/36/51/15/1094365115.db2.gz QAZJRMUDBABCNU-BSWAZPDLSA-N 1 3 341.927 2.543 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588817 1094365121 /nfs/dbraw/zinc/36/51/21/1094365121.db2.gz QAZJRMUDBABCNU-BSWAZPDLSA-N 1 3 341.927 2.543 20 30 EFEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683873 1094631824 /nfs/dbraw/zinc/63/18/24/1094631824.db2.gz RSTMIIMVSAVMRR-GDBMZVCRSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530101 1094871040 /nfs/dbraw/zinc/87/10/40/1094871040.db2.gz DIKYYQXWDNMVOD-PXNSSMCTSA-N 1 3 333.520 2.513 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC000981914035 1095617773 /nfs/dbraw/zinc/61/77/73/1095617773.db2.gz DIQDWYQROXGLFF-UHFFFAOYSA-N 1 3 341.499 2.515 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@]1(NC(=O)CN(C)C2CCC2)CCCC[C@H]1C ZINC001481956637 1096994851 /nfs/dbraw/zinc/99/48/51/1096994851.db2.gz BAWCJTQLHPOMRT-KDOFPFPSSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105064148 1099533245 /nfs/dbraw/zinc/53/32/45/1099533245.db2.gz ZQJQOPPOBGTKEF-IAGOWNOFSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793383 1100041541 /nfs/dbraw/zinc/04/15/41/1100041541.db2.gz AUNVUWQONONZKE-NLWGTHIKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793383 1100041547 /nfs/dbraw/zinc/04/15/47/1100041547.db2.gz AUNVUWQONONZKE-NLWGTHIKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396174 1100561939 /nfs/dbraw/zinc/56/19/39/1100561939.db2.gz IMMWKJKGOQBNHI-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396174 1100561944 /nfs/dbraw/zinc/56/19/44/1100561944.db2.gz IMMWKJKGOQBNHI-LJQANCHMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723903 1100702135 /nfs/dbraw/zinc/70/21/35/1100702135.db2.gz LUOPXRNRGGSIKS-FCEWJHQRSA-N 1 3 339.499 2.744 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723903 1100702139 /nfs/dbraw/zinc/70/21/39/1100702139.db2.gz LUOPXRNRGGSIKS-FCEWJHQRSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC ZINC001087838854 1100849556 /nfs/dbraw/zinc/84/95/56/1100849556.db2.gz YFBBFCRBEJKUJB-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1CC ZINC001087838854 1100849565 /nfs/dbraw/zinc/84/95/65/1100849565.db2.gz YFBBFCRBEJKUJB-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840583 1100856656 /nfs/dbraw/zinc/85/66/56/1100856656.db2.gz DIQVCBHHIFEDKZ-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840583 1100856664 /nfs/dbraw/zinc/85/66/64/1100856664.db2.gz DIQVCBHHIFEDKZ-RBUKOAKNSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088211147 1101881501 /nfs/dbraw/zinc/88/15/01/1101881501.db2.gz SSYBEDIBHRSBMS-MJGOQNOKSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088211147 1101881514 /nfs/dbraw/zinc/88/15/14/1101881514.db2.gz SSYBEDIBHRSBMS-MJGOQNOKSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210666 1101882885 /nfs/dbraw/zinc/88/28/85/1101882885.db2.gz VRYFSBGCVSJVIG-UXHICEINSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210666 1101882905 /nfs/dbraw/zinc/88/29/05/1101882905.db2.gz VRYFSBGCVSJVIG-UXHICEINSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)C[NH2+]CC1(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232728 1102097522 /nfs/dbraw/zinc/09/75/22/1102097522.db2.gz OGSWYQNYWSUAPU-IBGZPJMESA-N 1 3 339.499 2.651 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240335 1102124518 /nfs/dbraw/zinc/12/45/18/1102124518.db2.gz JFSZNZGGTFKAKM-QGZVFWFLSA-N 1 3 335.536 2.949 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287973 1102592355 /nfs/dbraw/zinc/59/23/55/1102592355.db2.gz OFEHHBZBDNTDEE-KZNAEPCWSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294721 1102879737 /nfs/dbraw/zinc/87/97/37/1102879737.db2.gz YOWFBAQGCSWVNA-KZNAEPCWSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001088329903 1102941636 /nfs/dbraw/zinc/94/16/36/1102941636.db2.gz KAVHGDZSZVDRBG-IRXDYDNUSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329903 1102941638 /nfs/dbraw/zinc/94/16/38/1102941638.db2.gz KAVHGDZSZVDRBG-IRXDYDNUSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375673 1103233843 /nfs/dbraw/zinc/23/38/43/1103233843.db2.gz NCYLVSIZRBBJJP-HZPDHXFCSA-N 1 3 329.916 2.686 20 30 EFEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381282 1103335915 /nfs/dbraw/zinc/33/59/15/1103335915.db2.gz AYCOQBPMCBBJEQ-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595564 1104511464 /nfs/dbraw/zinc/51/14/64/1104511464.db2.gz IGSCGESZDDLAPK-UHFFFAOYSA-N 1 3 335.536 2.903 20 30 EFEDHO C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105560877 1105939078 /nfs/dbraw/zinc/93/90/78/1105939078.db2.gz FBCQGSBESFYYSE-ROUUACIJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241571 1106493882 /nfs/dbraw/zinc/49/38/82/1106493882.db2.gz PJAGYGBTAJYMEW-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241571 1106493883 /nfs/dbraw/zinc/49/38/83/1106493883.db2.gz PJAGYGBTAJYMEW-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737671 1106614014 /nfs/dbraw/zinc/61/40/14/1106614014.db2.gz VPFZUAYTUKDTJA-UHFFFAOYSA-N 1 3 329.488 2.862 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737671 1106614017 /nfs/dbraw/zinc/61/40/17/1106614017.db2.gz VPFZUAYTUKDTJA-UHFFFAOYSA-N 1 3 329.488 2.862 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862842 1106763271 /nfs/dbraw/zinc/76/32/71/1106763271.db2.gz XINLTCZQPUWGMY-APWZRJJASA-N 1 3 329.488 2.559 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001168346485 1107391549 /nfs/dbraw/zinc/39/15/49/1107391549.db2.gz ZTURXKSPWAEPRJ-INIZCTEOSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393361 1108334048 /nfs/dbraw/zinc/33/40/48/1108334048.db2.gz AZBRIISYRYXSPF-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393361 1108334064 /nfs/dbraw/zinc/33/40/64/1108334064.db2.gz AZBRIISYRYXSPF-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001168455004 1108660781 /nfs/dbraw/zinc/66/07/81/1108660781.db2.gz QGQAUVLSIKMUBK-UHFFFAOYSA-N 1 3 341.927 2.881 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323789 1109767273 /nfs/dbraw/zinc/76/72/73/1109767273.db2.gz GWCLRBZDDCXTNQ-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323789 1109767276 /nfs/dbraw/zinc/76/72/76/1109767276.db2.gz GWCLRBZDDCXTNQ-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249165 1111220774 /nfs/dbraw/zinc/22/07/74/1111220774.db2.gz BEDVZDMOURZXHJ-BHIYHBOVSA-N 1 3 335.536 2.757 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666814 1111708907 /nfs/dbraw/zinc/70/89/07/1111708907.db2.gz WNBTXAHBLVFHMC-IPMKNSEASA-N 1 3 337.552 2.983 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001106775418 1111821347 /nfs/dbraw/zinc/82/13/47/1111821347.db2.gz CZSSZCJQKJQPPJ-NVXWUHKLSA-N 1 3 343.943 2.935 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396769 1111838780 /nfs/dbraw/zinc/83/87/80/1111838780.db2.gz CXDYWVZONVINHA-HKUYNNGSSA-N 1 3 333.520 2.655 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511251 1112255378 /nfs/dbraw/zinc/25/53/78/1112255378.db2.gz OYAGIMOWQAIVQB-MOPGFXCFSA-N 1 3 347.547 2.879 20 30 EFEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511251 1112255381 /nfs/dbraw/zinc/25/53/81/1112255381.db2.gz OYAGIMOWQAIVQB-MOPGFXCFSA-N 1 3 347.547 2.879 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560242 1112308355 /nfs/dbraw/zinc/30/83/55/1112308355.db2.gz AIDHVTIVERBWIR-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)CC(C)(C)C2)CC1 ZINC001089560242 1112308361 /nfs/dbraw/zinc/30/83/61/1112308361.db2.gz AIDHVTIVERBWIR-LJQANCHMSA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001484569024 1113027589 /nfs/dbraw/zinc/02/75/89/1113027589.db2.gz PNIQPBYUZKAUFK-ULQDDVLXSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089806634 1113060858 /nfs/dbraw/zinc/06/08/58/1113060858.db2.gz RIPNZEHWZDPTAV-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089806634 1113060862 /nfs/dbraw/zinc/06/08/62/1113060862.db2.gz RIPNZEHWZDPTAV-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484830220 1117748175 /nfs/dbraw/zinc/74/81/75/1117748175.db2.gz NXYXWXZUTYISNF-ICSRJNTNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484830220 1117748182 /nfs/dbraw/zinc/74/81/82/1117748182.db2.gz NXYXWXZUTYISNF-ICSRJNTNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821640 1117923966 /nfs/dbraw/zinc/92/39/66/1117923966.db2.gz WPGCTPSSEBXFFG-RNQOJCNYSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821640 1117923969 /nfs/dbraw/zinc/92/39/69/1117923969.db2.gz WPGCTPSSEBXFFG-RNQOJCNYSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845166 1118241517 /nfs/dbraw/zinc/24/15/17/1118241517.db2.gz DCBUILSMDYTHBU-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845166 1118241521 /nfs/dbraw/zinc/24/15/21/1118241521.db2.gz DCBUILSMDYTHBU-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107028858 1119818013 /nfs/dbraw/zinc/81/80/13/1119818013.db2.gz GNDBZNOQWJFHBK-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107042269 1120066698 /nfs/dbraw/zinc/06/66/98/1120066698.db2.gz DQELVZPHROHZIX-QZTJIDSGSA-N 1 3 325.541 2.981 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031158 1120522447 /nfs/dbraw/zinc/52/24/47/1120522447.db2.gz ZFTZAFGILOEEAM-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031158 1120522449 /nfs/dbraw/zinc/52/24/49/1120522449.db2.gz ZFTZAFGILOEEAM-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945091560 1120567916 /nfs/dbraw/zinc/56/79/16/1120567916.db2.gz OKSKPUXTEYQHTH-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945091560 1120567919 /nfs/dbraw/zinc/56/79/19/1120567919.db2.gz OKSKPUXTEYQHTH-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180112 1120649232 /nfs/dbraw/zinc/64/92/32/1120649232.db2.gz KOIGVJIHCICAFQ-PKOBYXMFSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180112 1120649234 /nfs/dbraw/zinc/64/92/34/1120649234.db2.gz KOIGVJIHCICAFQ-PKOBYXMFSA-N 1 3 347.547 2.594 20 30 EFEDHO C[C@@H]1CCC[C@@](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)(N(C)C)C1 ZINC000083033112 1120750707 /nfs/dbraw/zinc/75/07/07/1120750707.db2.gz XFYVDJXCAGAPNI-WRWLIDTKSA-N 1 3 344.503 2.925 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000192705967 240059612 /nfs/dbraw/zinc/05/96/12/240059612.db2.gz XOWJEFJPZJQWGB-VQTJNVASSA-N 1 3 326.488 2.606 20 30 EFEDHO N#C[C@@H]1CCC[C@@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000193277297 240093210 /nfs/dbraw/zinc/09/32/10/240093210.db2.gz DAAGJEBNWNBPPJ-NSISKUIASA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@@H]1CCC[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000193277297 240093216 /nfs/dbraw/zinc/09/32/16/240093216.db2.gz DAAGJEBNWNBPPJ-NSISKUIASA-N 1 3 327.472 2.815 20 30 EFEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H](C)C1 ZINC000262018511 240342442 /nfs/dbraw/zinc/34/24/42/240342442.db2.gz WWFQOFWDPDGHRU-CABCVRRESA-N 1 3 346.475 2.695 20 30 EFEDHO C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262374516 240348531 /nfs/dbraw/zinc/34/85/31/240348531.db2.gz JFXJLKRXSVXRAW-DZJYIKFMSA-N 1 3 340.515 2.798 20 30 EFEDHO CN1CC=C(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000263119189 240379462 /nfs/dbraw/zinc/37/94/62/240379462.db2.gz CSDZQUILUVACOF-UHFFFAOYSA-N 1 3 328.338 2.574 20 30 EFEDHO CC(C)[C@@]1(C)C[C@@H]1NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000263137058 240379624 /nfs/dbraw/zinc/37/96/24/240379624.db2.gz NTSCWPLKRBCWMQ-AZUAARDMSA-N 1 3 328.504 2.990 20 30 EFEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(CCCOCC)C[C@@H]2C)CC1 ZINC000361227663 242220271 /nfs/dbraw/zinc/22/02/71/242220271.db2.gz HCRYOXUFHNHZRY-ICSRJNTNSA-N 1 3 337.552 2.754 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000361763703 242232530 /nfs/dbraw/zinc/23/25/30/242232530.db2.gz JFIFPOSFNORDEE-WMZOPIPTSA-N 1 3 336.524 2.541 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361763703 242232532 /nfs/dbraw/zinc/23/25/32/242232532.db2.gz JFIFPOSFNORDEE-WMZOPIPTSA-N 1 3 336.524 2.541 20 30 EFEDHO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785344 242281813 /nfs/dbraw/zinc/28/18/13/242281813.db2.gz OVUDKUNMKSEZJX-IEBWSBKVSA-N 1 3 341.499 2.518 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443063505 250156040 /nfs/dbraw/zinc/15/60/40/250156040.db2.gz WSNNATQTDAZIGE-CVEARBPZSA-N 1 3 335.517 2.712 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454465577 252271864 /nfs/dbraw/zinc/27/18/64/252271864.db2.gz PFKDJTIJYOGVNJ-UHFFFAOYSA-N 1 3 336.524 2.592 20 30 EFEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268814898 252265237 /nfs/dbraw/zinc/26/52/37/252265237.db2.gz FULYOGXOWHQIOA-WBVHZDCISA-N 1 3 338.879 2.925 20 30 EFEDHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000174315864 533660983 /nfs/dbraw/zinc/66/09/83/533660983.db2.gz NAHQUOVUCYVTNK-IYBDPMFKSA-N 1 3 331.460 2.546 20 30 EFEDHO COC1CCN(C2(CNC(=[NH2+])N3CCCCCC3)CCCC2)CC1 ZINC000262438137 292169526 /nfs/dbraw/zinc/16/95/26/292169526.db2.gz CMMAFSSAHOEXTO-UHFFFAOYSA-N 1 3 336.524 2.601 20 30 EFEDHO C#CCOc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000113323718 544568965 /nfs/dbraw/zinc/56/89/65/544568965.db2.gz UNSUSQLFPLPTDO-UHFFFAOYSA-N 1 3 338.451 2.929 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)cc1 ZINC000271895369 267180019 /nfs/dbraw/zinc/18/00/19/267180019.db2.gz SZTQQLUTAWQWNE-CWFSZBLJSA-N 1 3 327.472 2.977 20 30 EFEDHO CC[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000515165034 267194187 /nfs/dbraw/zinc/19/41/87/267194187.db2.gz MNCLNIYUHGBOID-HIEASXQVSA-N 1 3 328.460 2.763 20 30 EFEDHO CC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCCN1 ZINC000515165034 267194189 /nfs/dbraw/zinc/19/41/89/267194189.db2.gz MNCLNIYUHGBOID-HIEASXQVSA-N 1 3 328.460 2.763 20 30 EFEDHO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343891531 290221384 /nfs/dbraw/zinc/22/13/84/290221384.db2.gz YPIQHAQZUNKZPZ-MBOZVWFJSA-N 1 3 326.488 2.577 20 30 EFEDHO CC[NH+](CC)CCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190777981 473390987 /nfs/dbraw/zinc/39/09/87/473390987.db2.gz JRYNBGPLLLLOOG-UHFFFAOYSA-N 1 3 340.471 2.907 20 30 EFEDHO C#CCOc1ccccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000067453078 472036088 /nfs/dbraw/zinc/03/60/88/472036088.db2.gz KARVMBVDODEKTN-HDICACEKSA-N 1 3 330.472 2.678 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072759283 472711425 /nfs/dbraw/zinc/71/14/25/472711425.db2.gz PLATXBMRLQEUKA-GOSISDBHSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072759283 472711432 /nfs/dbraw/zinc/71/14/32/472711432.db2.gz PLATXBMRLQEUKA-GOSISDBHSA-N 1 3 328.460 2.693 20 30 EFEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000106275942 472837400 /nfs/dbraw/zinc/83/74/00/472837400.db2.gz MGFXFUXVLLVTGG-LJQANCHMSA-N 1 3 344.503 2.629 20 30 EFEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000106275939 472837636 /nfs/dbraw/zinc/83/76/36/472837636.db2.gz MGFXFUXVLLVTGG-IBGZPJMESA-N 1 3 344.503 2.629 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000073895217 472896051 /nfs/dbraw/zinc/89/60/51/472896051.db2.gz CVGSFDUIIAVMLO-FQEVSTJZSA-N 1 3 346.515 2.959 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000073895217 472896059 /nfs/dbraw/zinc/89/60/59/472896059.db2.gz CVGSFDUIIAVMLO-FQEVSTJZSA-N 1 3 346.515 2.959 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000074130181 472948200 /nfs/dbraw/zinc/94/82/00/472948200.db2.gz YYFARBCPUSLQMP-GOSISDBHSA-N 1 3 336.524 2.543 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000074130181 472948207 /nfs/dbraw/zinc/94/82/07/472948207.db2.gz YYFARBCPUSLQMP-GOSISDBHSA-N 1 3 336.524 2.543 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000113403931 473392479 /nfs/dbraw/zinc/39/24/79/473392479.db2.gz MBQXDPMJQWMBAR-SFHVURJKSA-N 1 3 336.524 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000113403931 473392485 /nfs/dbraw/zinc/39/24/85/473392485.db2.gz MBQXDPMJQWMBAR-SFHVURJKSA-N 1 3 336.524 2.591 20 30 EFEDHO Cn1cc(CNCc2ccc(OCCC[NH+](C)C)cc2)cc1C#N ZINC000190948188 473437341 /nfs/dbraw/zinc/43/73/41/473437341.db2.gz UEXGBFUGSKVXSM-UHFFFAOYSA-N 1 3 326.444 2.517 20 30 EFEDHO C=CCN1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000171907849 473480702 /nfs/dbraw/zinc/48/07/02/473480702.db2.gz RFQMOFYMDGNUTE-UHFFFAOYSA-N 1 3 336.524 2.592 20 30 EFEDHO CCCCCCNC(=[NH2+])NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000178567260 473532166 /nfs/dbraw/zinc/53/21/66/473532166.db2.gz MQGVPRGNJGGXOK-UHFFFAOYSA-N 1 3 346.519 2.628 20 30 EFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287681245 473732019 /nfs/dbraw/zinc/73/20/19/473732019.db2.gz LRJLLXUQDPAKLZ-LPHOPBHVSA-N 1 3 344.503 2.627 20 30 EFEDHO Cn1cc(C[NH2+]CCCN2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180036334 473782923 /nfs/dbraw/zinc/78/29/23/473782923.db2.gz DEFBACCBJMOEFW-UHFFFAOYSA-N 1 3 337.471 2.924 20 30 EFEDHO C[NH+]1CCC(N2CCC(Nc3ncc(C#N)cc3Cl)CC2)CC1 ZINC000263782831 473847745 /nfs/dbraw/zinc/84/77/45/473847745.db2.gz MEPUBAHJPHTPGJ-UHFFFAOYSA-N 1 3 333.867 2.577 20 30 EFEDHO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC1 ZINC000269673799 473856148 /nfs/dbraw/zinc/85/61/48/473856148.db2.gz GVOPXSWWAPBCSD-IBGZPJMESA-N 1 3 329.488 2.812 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646269 473928106 /nfs/dbraw/zinc/92/81/06/473928106.db2.gz LGUMQFAESXWNHG-KKSFZXQISA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000180646269 473928112 /nfs/dbraw/zinc/92/81/12/473928112.db2.gz LGUMQFAESXWNHG-KKSFZXQISA-N 1 3 335.451 2.976 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000181720275 474058419 /nfs/dbraw/zinc/05/84/19/474058419.db2.gz QKTUSOQMSUTLRS-KRWDZBQOSA-N 1 3 336.524 2.591 20 30 EFEDHO C#Cc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000289353878 474233257 /nfs/dbraw/zinc/23/32/57/474233257.db2.gz XUXPVERRFSKHIZ-UHFFFAOYSA-N 1 3 333.479 2.705 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443123 474325096 /nfs/dbraw/zinc/32/50/96/474325096.db2.gz LGUMQFAESXWNHG-IIBYNOLFSA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000248443123 474325103 /nfs/dbraw/zinc/32/51/03/474325103.db2.gz LGUMQFAESXWNHG-IIBYNOLFSA-N 1 3 335.451 2.976 20 30 EFEDHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000283279117 474358280 /nfs/dbraw/zinc/35/82/80/474358280.db2.gz LXDYFKVIBDICSL-UHFFFAOYSA-N 1 3 326.488 2.553 20 30 EFEDHO CC[C@@H](C)NC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267336305 474651988 /nfs/dbraw/zinc/65/19/88/474651988.db2.gz PHKWAPWBVRBRAA-QGZVFWFLSA-N 1 3 346.519 2.761 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000337428302 475006922 /nfs/dbraw/zinc/00/69/22/475006922.db2.gz CUUHAEBSWLQMAH-GUDVDZBRSA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(C)C ZINC000337428302 475006928 /nfs/dbraw/zinc/00/69/28/475006928.db2.gz CUUHAEBSWLQMAH-GUDVDZBRSA-N 1 3 348.535 2.611 20 30 EFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281895 475058630 /nfs/dbraw/zinc/05/86/30/475058630.db2.gz VUNVYGVMSDWOCY-UYAOXDASSA-N 1 3 326.488 2.989 20 30 EFEDHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C1CC1)N1CCCC1 ZINC000329601259 475094437 /nfs/dbraw/zinc/09/44/37/475094437.db2.gz XNOBURBZEPWFQV-QYZOEREBSA-N 1 3 349.519 2.585 20 30 EFEDHO CCN(CCC[NH+](CC)CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281295550 475157600 /nfs/dbraw/zinc/15/76/00/475157600.db2.gz SYLJQYTWQPPBOA-LJQANCHMSA-N 1 3 340.471 2.821 20 30 EFEDHO CCN(CCC[NH+](CC)CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281295543 475157838 /nfs/dbraw/zinc/15/78/38/475157838.db2.gz SYLJQYTWQPPBOA-IBGZPJMESA-N 1 3 340.471 2.821 20 30 EFEDHO C=C(C)C[NH+]1CCC(NCc2ccc(COCCOC)cc2)CC1 ZINC000342097382 475557072 /nfs/dbraw/zinc/55/70/72/475557072.db2.gz HDABGNBLOJQGLN-UHFFFAOYSA-N 1 3 332.488 2.980 20 30 EFEDHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000346117463 475561050 /nfs/dbraw/zinc/56/10/50/475561050.db2.gz KGPTUPMBXYOCTQ-QRQLOZEOSA-N 1 3 325.456 2.844 20 30 EFEDHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000342722366 475631361 /nfs/dbraw/zinc/63/13/61/475631361.db2.gz FJHRXCVVYGXBKO-QRQLOZEOSA-N 1 3 325.456 2.844 20 30 EFEDHO C=CCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000338544709 475997834 /nfs/dbraw/zinc/99/78/34/475997834.db2.gz FUQRQBFZLPZFEZ-UHFFFAOYSA-N 1 3 329.488 2.523 20 30 EFEDHO C[NH+](C)CCOC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000353526561 476047713 /nfs/dbraw/zinc/04/77/13/476047713.db2.gz BCBMLXBRIYURMC-UHFFFAOYSA-N 1 3 345.487 2.912 20 30 EFEDHO C=CCc1cc(CN2CCC(OCC[NH+](C)C)CC2)cc(OC)c1O ZINC000353529140 476049798 /nfs/dbraw/zinc/04/97/98/476049798.db2.gz INFCBJGMNVLXBA-UHFFFAOYSA-N 1 3 348.487 2.672 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C(C)C ZINC000354068996 476403561 /nfs/dbraw/zinc/40/35/61/476403561.db2.gz WCRRMWVMGPDWFS-LKXUXUIPSA-N 1 3 347.547 2.955 20 30 EFEDHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000351488736 476474676 /nfs/dbraw/zinc/47/46/76/476474676.db2.gz AURRKARKMVVFLD-VQIMIIECSA-N 1 3 338.455 2.621 20 30 EFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150409 477310339 /nfs/dbraw/zinc/31/03/39/477310339.db2.gz YNOSXVSNKNYOPS-BHIYHBOVSA-N 1 3 342.487 2.519 20 30 EFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150409 477310345 /nfs/dbraw/zinc/31/03/45/477310345.db2.gz YNOSXVSNKNYOPS-BHIYHBOVSA-N 1 3 342.487 2.519 20 30 EFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424150411 477310547 /nfs/dbraw/zinc/31/05/47/477310547.db2.gz YNOSXVSNKNYOPS-NZSAHSFTSA-N 1 3 342.487 2.519 20 30 EFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424150411 477310556 /nfs/dbraw/zinc/31/05/56/477310556.db2.gz YNOSXVSNKNYOPS-NZSAHSFTSA-N 1 3 342.487 2.519 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3C#N)CC2)CC1 ZINC000420977613 477870689 /nfs/dbraw/zinc/87/06/89/477870689.db2.gz IKGAETAQZICYTN-UHFFFAOYSA-N 1 3 326.488 2.550 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000421348981 478044859 /nfs/dbraw/zinc/04/48/59/478044859.db2.gz WUUKXVJWEHBOCZ-LJQANCHMSA-N 1 3 339.414 2.554 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000421348981 478044868 /nfs/dbraw/zinc/04/48/68/478044868.db2.gz WUUKXVJWEHBOCZ-LJQANCHMSA-N 1 3 339.414 2.554 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000421348980 478045698 /nfs/dbraw/zinc/04/56/98/478045698.db2.gz WUUKXVJWEHBOCZ-IBGZPJMESA-N 1 3 339.414 2.554 20 30 EFEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000421348980 478045703 /nfs/dbraw/zinc/04/57/03/478045703.db2.gz WUUKXVJWEHBOCZ-IBGZPJMESA-N 1 3 339.414 2.554 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000517757725 478122775 /nfs/dbraw/zinc/12/27/75/478122775.db2.gz UHTWTJZTNBZPKK-UHFFFAOYSA-N 1 3 329.488 2.561 20 30 EFEDHO CC(C)N1CCN(C2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595403691 478762459 /nfs/dbraw/zinc/76/24/59/478762459.db2.gz IONCGKHUAVSJLC-UHFFFAOYSA-N 1 3 340.515 2.591 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560839 478895468 /nfs/dbraw/zinc/89/54/68/478895468.db2.gz NZOFQMABOOLGBJ-PMACEKPBSA-N 1 3 339.483 2.997 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560839 478895475 /nfs/dbraw/zinc/89/54/75/478895475.db2.gz NZOFQMABOOLGBJ-PMACEKPBSA-N 1 3 339.483 2.997 20 30 EFEDHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951390 478956122 /nfs/dbraw/zinc/95/61/22/478956122.db2.gz MBHCHGKIFGIFCC-LTDKPHRXSA-N 1 3 328.460 2.621 20 30 EFEDHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951389 478956484 /nfs/dbraw/zinc/95/64/84/478956484.db2.gz MBHCHGKIFGIFCC-KUQKPQIMSA-N 1 3 328.460 2.621 20 30 EFEDHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392811 479365369 /nfs/dbraw/zinc/36/53/69/479365369.db2.gz NFTTYTKKCXCSOP-NQIIRXRSSA-N 1 3 338.499 2.694 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390958 479366095 /nfs/dbraw/zinc/36/60/95/479366095.db2.gz XMYHBPYEVTVVSM-OAQYLSRUSA-N 1 3 340.515 2.943 20 30 EFEDHO C=CCCC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000663877276 482415481 /nfs/dbraw/zinc/41/54/81/482415481.db2.gz TVOUIVWUWTZZTB-UHFFFAOYSA-N 1 3 336.524 2.589 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000417067443 517328415 /nfs/dbraw/zinc/32/84/15/517328415.db2.gz ROONLZPYFMFBDC-RCCFBDPRSA-N 1 3 336.524 2.596 20 30 EFEDHO CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841827 522679439 /nfs/dbraw/zinc/67/94/39/522679439.db2.gz PTXGAUNTSUNMOG-AWEZNQCLSA-N 1 3 348.878 2.814 20 30 EFEDHO CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841827 522679445 /nfs/dbraw/zinc/67/94/45/522679445.db2.gz PTXGAUNTSUNMOG-AWEZNQCLSA-N 1 3 348.878 2.814 20 30 EFEDHO CCO[C@@H]1C[C@H](NC(NC2CCN(C3CC3)CC2)=[NH+]C)C12CCCC2 ZINC000262466449 535454517 /nfs/dbraw/zinc/45/45/17/535454517.db2.gz YINGMRYGUSXUTH-ZWKOTPCHSA-N 1 3 348.535 2.516 20 30 EFEDHO CCN1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071644 535525547 /nfs/dbraw/zinc/52/55/47/535525547.db2.gz KIEIFIUJBARHAT-FQEVSTJZSA-N 1 3 340.515 2.844 20 30 EFEDHO N#Cc1ccc([C@H](O)CNCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000763232240 576368553 /nfs/dbraw/zinc/36/85/53/576368553.db2.gz SHPWIVMLNXIRCX-OAQYLSRUSA-N 1 3 335.451 2.630 20 30 EFEDHO N#Cc1ccc([C@H](O)CNCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000763232240 576368555 /nfs/dbraw/zinc/36/85/55/576368555.db2.gz SHPWIVMLNXIRCX-OAQYLSRUSA-N 1 3 335.451 2.630 20 30 EFEDHO C=C(CN(C)C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000764541718 576470419 /nfs/dbraw/zinc/47/04/19/576470419.db2.gz WBHBDJJWJFRHCQ-UHFFFAOYSA-N 1 3 344.503 2.521 20 30 EFEDHO C#CCCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769383175 577357422 /nfs/dbraw/zinc/35/74/22/577357422.db2.gz DPCOHILCIYAMQS-UHFFFAOYSA-N 1 3 330.472 2.631 20 30 EFEDHO C#CCOc1ccccc1CN1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000769514949 577369111 /nfs/dbraw/zinc/36/91/11/577369111.db2.gz MLXBCFLQLBVXEG-LJQANCHMSA-N 1 3 330.472 2.631 20 30 EFEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769515491 577369145 /nfs/dbraw/zinc/36/91/45/577369145.db2.gz QYMKHGPUNJKCCZ-YLJYHZDGSA-N 1 3 345.487 2.910 20 30 EFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000772987965 581385877 /nfs/dbraw/zinc/38/58/77/581385877.db2.gz NHFXAESTABGGPV-UYAOXDASSA-N 1 3 344.499 2.925 20 30 EFEDHO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000772987962 581385962 /nfs/dbraw/zinc/38/59/62/581385962.db2.gz NHFXAESTABGGPV-AZUAARDMSA-N 1 3 344.499 2.925 20 30 EFEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001754375364 1248955337 /nfs/dbraw/zinc/95/53/37/1248955337.db2.gz AAFQVTNVXONGLD-INIZCTEOSA-N 1 3 327.900 2.584 20 30 EFEDHO C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001754375364 1248955352 /nfs/dbraw/zinc/95/53/52/1248955352.db2.gz AAFQVTNVXONGLD-INIZCTEOSA-N 1 3 327.900 2.584 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707224 1250833665 /nfs/dbraw/zinc/83/36/65/1250833665.db2.gz MVHLMPHUSCNTDO-VQTJNVASSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001752707224 1250833677 /nfs/dbraw/zinc/83/36/77/1250833677.db2.gz MVHLMPHUSCNTDO-VQTJNVASSA-N 1 3 347.547 2.835 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(C)C)CC1 ZINC001089733912 1252327656 /nfs/dbraw/zinc/32/76/56/1252327656.db2.gz CHECQQMFOPGBEX-LJQANCHMSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(C)C)CC1 ZINC001089733912 1252327665 /nfs/dbraw/zinc/32/76/65/1252327665.db2.gz CHECQQMFOPGBEX-LJQANCHMSA-N 1 3 347.547 2.594 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439062 1255823305 /nfs/dbraw/zinc/82/33/05/1255823305.db2.gz PZSKPRNWWTVXCS-QWFCFKBJSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439062 1255823315 /nfs/dbraw/zinc/82/33/15/1255823315.db2.gz PZSKPRNWWTVXCS-QWFCFKBJSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406093 1257125186 /nfs/dbraw/zinc/12/51/86/1257125186.db2.gz VUBKLJULYYJYGU-NEWSRXKRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406093 1257125190 /nfs/dbraw/zinc/12/51/90/1257125190.db2.gz VUBKLJULYYJYGU-NEWSRXKRSA-N 1 3 331.504 2.502 20 30 EFEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997278660 1257323569 /nfs/dbraw/zinc/32/35/69/1257323569.db2.gz IMFWKALNFASKDJ-YLJYHZDGSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997278660 1257323578 /nfs/dbraw/zinc/32/35/78/1257323578.db2.gz IMFWKALNFASKDJ-YLJYHZDGSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000997724092 1258310716 /nfs/dbraw/zinc/31/07/16/1258310716.db2.gz IMFWKALNFASKDJ-PXNSSMCTSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000997724092 1258310724 /nfs/dbraw/zinc/31/07/24/1258310724.db2.gz IMFWKALNFASKDJ-PXNSSMCTSA-N 1 3 345.531 2.633 20 30 EFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540071 1260404938 /nfs/dbraw/zinc/40/49/38/1260404938.db2.gz DQFNSABSBWBGGA-BJLQDIEVSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000999406898 1260601335 /nfs/dbraw/zinc/60/13/35/1260601335.db2.gz BOWJPGFNYGYVPN-MQBCKMQZSA-N 1 3 345.890 2.530 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999406898 1260601340 /nfs/dbraw/zinc/60/13/40/1260601340.db2.gz BOWJPGFNYGYVPN-MQBCKMQZSA-N 1 3 345.890 2.530 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000999671564 1260815857 /nfs/dbraw/zinc/81/58/57/1260815857.db2.gz KAGWAEZBFDSAJB-JCYILVPMSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999671564 1260815863 /nfs/dbraw/zinc/81/58/63/1260815863.db2.gz KAGWAEZBFDSAJB-JCYILVPMSA-N 1 3 341.927 2.973 20 30 EFEDHO CC[NH+](CC)[C@H](C(=O)NCCCNCc1ccccc1C#N)C(C)C ZINC001168667853 1261395630 /nfs/dbraw/zinc/39/56/30/1261395630.db2.gz ZWACGCVCXNJHPI-IBGZPJMESA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001001230741 1261989854 /nfs/dbraw/zinc/98/98/54/1261989854.db2.gz WWJPUVPBCQLKSI-LJQANCHMSA-N 1 3 333.520 2.964 20 30 EFEDHO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001001230741 1261989863 /nfs/dbraw/zinc/98/98/63/1261989863.db2.gz WWJPUVPBCQLKSI-LJQANCHMSA-N 1 3 333.520 2.964 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819413 1262362041 /nfs/dbraw/zinc/36/20/41/1262362041.db2.gz NAZFDFODXPQTNX-MOPGFXCFSA-N 1 3 341.499 2.955 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346729 1263844209 /nfs/dbraw/zinc/84/42/09/1263844209.db2.gz YSRKFNKEXYKAKE-WSTZPKSXSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346729 1263844230 /nfs/dbraw/zinc/84/42/30/1263844230.db2.gz YSRKFNKEXYKAKE-WSTZPKSXSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700806 1264243026 /nfs/dbraw/zinc/24/30/26/1264243026.db2.gz BBJGEHHAWWFDNZ-GUDVDZBRSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084700806 1264243036 /nfs/dbraw/zinc/24/30/36/1264243036.db2.gz BBJGEHHAWWFDNZ-GUDVDZBRSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001084953501 1264755799 /nfs/dbraw/zinc/75/57/99/1264755799.db2.gz QKIFWEHZBHEQRJ-QYZOEREBSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001084953501 1264755804 /nfs/dbraw/zinc/75/58/04/1264755804.db2.gz QKIFWEHZBHEQRJ-QYZOEREBSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049562 1265026834 /nfs/dbraw/zinc/02/68/34/1265026834.db2.gz KQAFQDZFTBFGDK-OTWHNJEPSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049562 1265026837 /nfs/dbraw/zinc/02/68/37/1265026837.db2.gz KQAFQDZFTBFGDK-OTWHNJEPSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457973 1267092981 /nfs/dbraw/zinc/09/29/81/1267092981.db2.gz MULUAOZGCMTARM-RTBURBONSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457973 1267092991 /nfs/dbraw/zinc/09/29/91/1267092991.db2.gz MULUAOZGCMTARM-RTBURBONSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474481 1267121456 /nfs/dbraw/zinc/12/14/56/1267121456.db2.gz OVNDRFJWKXDXTK-SJORKVTESA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001004474481 1267121462 /nfs/dbraw/zinc/12/14/62/1267121462.db2.gz OVNDRFJWKXDXTK-SJORKVTESA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001085432323 1267457995 /nfs/dbraw/zinc/45/79/95/1267457995.db2.gz SPWQJPPFESSUBR-RTBURBONSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639970 1268097434 /nfs/dbraw/zinc/09/74/34/1268097434.db2.gz ZOLKHCRUOMBRFC-OALUTQOASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639970 1268097445 /nfs/dbraw/zinc/09/74/45/1268097445.db2.gz ZOLKHCRUOMBRFC-OALUTQOASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819936 1268655829 /nfs/dbraw/zinc/65/58/29/1268655829.db2.gz MBAWSKKCRTYRDE-IBGZPJMESA-N 1 3 329.488 2.513 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819937 1268656109 /nfs/dbraw/zinc/65/61/09/1268656109.db2.gz MBAWSKKCRTYRDE-LJQANCHMSA-N 1 3 329.488 2.513 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808302 1268775513 /nfs/dbraw/zinc/77/55/13/1268775513.db2.gz NKNDZVFAGAPFNO-ZCNNSNEGSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808302 1268775520 /nfs/dbraw/zinc/77/55/20/1268775520.db2.gz NKNDZVFAGAPFNO-ZCNNSNEGSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808301 1268775906 /nfs/dbraw/zinc/77/59/06/1268775906.db2.gz NKNDZVFAGAPFNO-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808301 1268775911 /nfs/dbraw/zinc/77/59/11/1268775911.db2.gz NKNDZVFAGAPFNO-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832405 1270295085 /nfs/dbraw/zinc/29/50/85/1270295085.db2.gz FGHUFYMMULJUAC-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832405 1270295095 /nfs/dbraw/zinc/29/50/95/1270295095.db2.gz FGHUFYMMULJUAC-QUCCMNQESA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034047087 1270958110 /nfs/dbraw/zinc/95/81/10/1270958110.db2.gz YMHXVSHCWLHFOR-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034047087 1270958112 /nfs/dbraw/zinc/95/81/12/1270958112.db2.gz YMHXVSHCWLHFOR-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034250435 1271426799 /nfs/dbraw/zinc/42/67/99/1271426799.db2.gz QHCVPMRUPHQETK-MJGOQNOKSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034250435 1271426801 /nfs/dbraw/zinc/42/68/01/1271426801.db2.gz QHCVPMRUPHQETK-MJGOQNOKSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331610 1271676074 /nfs/dbraw/zinc/67/60/74/1271676074.db2.gz UGJBUGYCDHORTK-MOPGFXCFSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331610 1271676082 /nfs/dbraw/zinc/67/60/82/1271676082.db2.gz UGJBUGYCDHORTK-MOPGFXCFSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331617 1271676440 /nfs/dbraw/zinc/67/64/40/1271676440.db2.gz UGJBUGYCDHORTK-RTBURBONSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034331617 1271676445 /nfs/dbraw/zinc/67/64/45/1271676445.db2.gz UGJBUGYCDHORTK-RTBURBONSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538108 1272241054 /nfs/dbraw/zinc/24/10/54/1272241054.db2.gz QJEANUYRIIMIJF-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538108 1272241062 /nfs/dbraw/zinc/24/10/62/1272241062.db2.gz QJEANUYRIIMIJF-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764566 1273467466 /nfs/dbraw/zinc/46/74/66/1273467466.db2.gz PKVYZHZGFSXGBG-BZSNNMDCSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226658 1273846500 /nfs/dbraw/zinc/84/65/00/1273846500.db2.gz JGORRBJAPAHKFF-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226658 1273846507 /nfs/dbraw/zinc/84/65/07/1273846507.db2.gz JGORRBJAPAHKFF-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260320 1273954756 /nfs/dbraw/zinc/95/47/56/1273954756.db2.gz UAGIPSMPPLWXAD-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260320 1273954762 /nfs/dbraw/zinc/95/47/62/1273954762.db2.gz UAGIPSMPPLWXAD-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001109474515 1274315186 /nfs/dbraw/zinc/31/51/86/1274315186.db2.gz YDSDBFOLOXQOCB-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001109474515 1274315194 /nfs/dbraw/zinc/31/51/94/1274315194.db2.gz YDSDBFOLOXQOCB-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036302572 1275383755 /nfs/dbraw/zinc/38/37/55/1275383755.db2.gz JKUGAIVFFDVXKJ-RDTXWAMCSA-N 1 3 349.906 2.941 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036302570 1275384563 /nfs/dbraw/zinc/38/45/63/1275384563.db2.gz JKUGAIVFFDVXKJ-KSSFIOAISA-N 1 3 349.906 2.941 20 30 EFEDHO N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000819016469 1276590521 /nfs/dbraw/zinc/59/05/21/1276590521.db2.gz ZQZOHYQIBHGWND-IFMALSPDSA-N 1 3 349.478 2.746 20 30 EFEDHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001175317556 1287400433 /nfs/dbraw/zinc/40/04/33/1287400433.db2.gz PNADWIWKQZOTBQ-LPHOPBHVSA-N 1 3 344.503 2.663 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC/C=C/CC)CC1 ZINC001146610197 1280950734 /nfs/dbraw/zinc/95/07/34/1280950734.db2.gz IPBUDOKPGKJICT-HNGSOEQISA-N 1 3 333.520 2.561 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608699 1280950966 /nfs/dbraw/zinc/95/09/66/1280950966.db2.gz ASCHSNMHQOSFMI-SJORKVTESA-N 1 3 347.547 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(CC)CC)CC1 ZINC001146613629 1280952209 /nfs/dbraw/zinc/95/22/09/1280952209.db2.gz ULZKVJKLFJUTST-IAGOWNOFSA-N 1 3 335.536 2.641 20 30 EFEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148286797 1281495150 /nfs/dbraw/zinc/49/51/50/1281495150.db2.gz ZJSGQGRPKKKROA-GOSISDBHSA-N 1 3 335.536 2.975 20 30 EFEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148286797 1281495152 /nfs/dbraw/zinc/49/51/52/1281495152.db2.gz ZJSGQGRPKKKROA-GOSISDBHSA-N 1 3 335.536 2.975 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148291629 1281497142 /nfs/dbraw/zinc/49/71/42/1281497142.db2.gz ATGNRGDZXSQISO-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148291629 1281497148 /nfs/dbraw/zinc/49/71/48/1281497148.db2.gz ATGNRGDZXSQISO-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086910360 1281913008 /nfs/dbraw/zinc/91/30/08/1281913008.db2.gz RQJLFXRMVIIYMF-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941236 1281970043 /nfs/dbraw/zinc/97/00/43/1281970043.db2.gz NVMIHTZWXFJOJZ-SFHVURJKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942189 1281971465 /nfs/dbraw/zinc/97/14/65/1281971465.db2.gz KVPGGXHAJPQGQI-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942190 1281971833 /nfs/dbraw/zinc/97/18/33/1281971833.db2.gz KVPGGXHAJPQGQI-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086928827 1281991306 /nfs/dbraw/zinc/99/13/06/1281991306.db2.gz PJSLTDRVDMFJQE-QZTJIDSGSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224422 1283512598 /nfs/dbraw/zinc/51/25/98/1283512598.db2.gz VTRYNIPXLAFAJA-SJLPKXTDSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224422 1283512611 /nfs/dbraw/zinc/51/26/11/1283512611.db2.gz VTRYNIPXLAFAJA-SJLPKXTDSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093370911 1283806300 /nfs/dbraw/zinc/80/63/00/1283806300.db2.gz GYWZKUAUIPSRPI-GOSISDBHSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093370911 1283806309 /nfs/dbraw/zinc/80/63/09/1283806309.db2.gz GYWZKUAUIPSRPI-GOSISDBHSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093376552 1283826969 /nfs/dbraw/zinc/82/69/69/1283826969.db2.gz ADFGISJSJUWFPG-PXNSSMCTSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093376552 1283826976 /nfs/dbraw/zinc/82/69/76/1283826976.db2.gz ADFGISJSJUWFPG-PXNSSMCTSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377044 1283830009 /nfs/dbraw/zinc/83/00/09/1283830009.db2.gz FOEJCJRRVYREGX-YLJYHZDGSA-N 1 3 345.531 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377044 1283830015 /nfs/dbraw/zinc/83/00/15/1283830015.db2.gz FOEJCJRRVYREGX-YLJYHZDGSA-N 1 3 345.531 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379674 1283839910 /nfs/dbraw/zinc/83/99/10/1283839910.db2.gz FYCLTMXLORKAEO-OALUTQOASA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379674 1283839920 /nfs/dbraw/zinc/83/99/20/1283839920.db2.gz FYCLTMXLORKAEO-OALUTQOASA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093380061 1283842276 /nfs/dbraw/zinc/84/22/76/1283842276.db2.gz PRTXHHKZMGQADD-LJQANCHMSA-N 1 3 342.487 2.621 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093380061 1283842291 /nfs/dbraw/zinc/84/22/91/1283842291.db2.gz PRTXHHKZMGQADD-LJQANCHMSA-N 1 3 342.487 2.621 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCC)CC1 ZINC001110152496 1284674855 /nfs/dbraw/zinc/67/48/55/1284674855.db2.gz XKGIUJWGAVWVEP-AABGKKOBSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCC)CC1 ZINC001110152496 1284674864 /nfs/dbraw/zinc/67/48/64/1284674864.db2.gz XKGIUJWGAVWVEP-AABGKKOBSA-N 1 3 345.531 2.633 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117355 1284823114 /nfs/dbraw/zinc/82/31/14/1284823114.db2.gz JPGZBSZZJACEED-GOEBONIOSA-N 1 3 341.927 2.545 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133341619 1285221879 /nfs/dbraw/zinc/22/18/79/1285221879.db2.gz JIBMSRYRGOZCJB-SJLPKXTDSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094582797 1285353149 /nfs/dbraw/zinc/35/31/49/1285353149.db2.gz XOJGLRSHVKLRDC-TZIWHRDSSA-N 1 3 341.499 2.909 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094582797 1285353159 /nfs/dbraw/zinc/35/31/59/1285353159.db2.gz XOJGLRSHVKLRDC-TZIWHRDSSA-N 1 3 341.499 2.909 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161664 1285503808 /nfs/dbraw/zinc/50/38/08/1285503808.db2.gz OVCLMUHBGSIGAY-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161664 1285503820 /nfs/dbraw/zinc/50/38/20/1285503820.db2.gz OVCLMUHBGSIGAY-XWSJACJDSA-N 1 3 333.520 2.795 20 30 EFEDHO C[C@@H]1C[C@@H](N2CCC3SC(=O)C=C3C2)C[N@@H+]1Cc1ccccc1 ZINC001171747808 1285760058 /nfs/dbraw/zinc/76/00/58/1285760058.db2.gz BNQKTJNHSQRUIQ-OLMNPRSZSA-N 1 3 328.481 2.924 20 30 EFEDHO C[C@@H]1C[C@@H](N2CCC3SC(=O)C=C3C2)C[N@H+]1Cc1ccccc1 ZINC001171747808 1285760062 /nfs/dbraw/zinc/76/00/62/1285760062.db2.gz BNQKTJNHSQRUIQ-OLMNPRSZSA-N 1 3 328.481 2.924 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095063243 1286473122 /nfs/dbraw/zinc/47/31/22/1286473122.db2.gz VRIPEVNWJNRSNC-UHOSZYNNSA-N 1 3 341.499 2.907 20 30 EFEDHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001134772757 1287169691 /nfs/dbraw/zinc/16/96/91/1287169691.db2.gz HJQWLZDMYBWAIL-MSOLQXFVSA-N 1 3 343.515 2.641 20 30 EFEDHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134773998 1287171829 /nfs/dbraw/zinc/17/18/29/1287171829.db2.gz TZOYBOVPDAKKBB-HOTGVXAUSA-N 1 3 344.503 2.661 20 30 EFEDHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134773998 1287171832 /nfs/dbraw/zinc/17/18/32/1287171832.db2.gz TZOYBOVPDAKKBB-HOTGVXAUSA-N 1 3 344.503 2.661 20 30 EFEDHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176279662 1287920873 /nfs/dbraw/zinc/92/08/73/1287920873.db2.gz PBEVJHARKCZQRL-KRWDZBQOSA-N 1 3 344.503 2.665 20 30 EFEDHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176284390 1287922922 /nfs/dbraw/zinc/92/29/22/1287922922.db2.gz FQMPHSQXBUPJSZ-KRWDZBQOSA-N 1 3 344.503 2.665 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC/C=C\CC)CC1 ZINC001176737059 1288087751 /nfs/dbraw/zinc/08/77/51/1288087751.db2.gz GMBYKEAEKLQFDK-LIXSYLKWSA-N 1 3 347.547 2.953 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760167 1288122826 /nfs/dbraw/zinc/12/28/26/1288122826.db2.gz QWRXDZQTWDYJOD-HZPDHXFCSA-N 1 3 329.916 2.878 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001176925765 1288175138 /nfs/dbraw/zinc/17/51/38/1288175138.db2.gz ARATVDYOUMYWDX-RTBURBONSA-N 1 3 347.547 2.644 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC2CCCCCC2)CC1 ZINC001176926613 1288176654 /nfs/dbraw/zinc/17/66/54/1288176654.db2.gz QKBCLYGQLILATD-UHFFFAOYSA-N 1 3 347.547 2.788 20 30 EFEDHO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCCCCC ZINC001135691438 1288268612 /nfs/dbraw/zinc/26/86/12/1288268612.db2.gz URPYOLDRASFVGR-MSOLQXFVSA-N 1 3 341.540 2.574 20 30 EFEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177340026 1288399293 /nfs/dbraw/zinc/39/92/93/1288399293.db2.gz XRONCNTVVMMGEH-IBGZPJMESA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)N(C)C ZINC001177342111 1288399789 /nfs/dbraw/zinc/39/97/89/1288399789.db2.gz JNTAEGSGVUPUBE-IBGZPJMESA-N 1 3 335.536 2.594 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N(C)CC ZINC001177352841 1288414931 /nfs/dbraw/zinc/41/49/31/1288414931.db2.gz ODSKREPBBJBLTI-UHFFFAOYSA-N 1 3 335.536 2.739 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001177408874 1288420595 /nfs/dbraw/zinc/42/05/95/1288420595.db2.gz JNTAEGSGVUPUBE-LJQANCHMSA-N 1 3 335.536 2.594 20 30 EFEDHO C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H](F)CN(CC)CC ZINC001178612343 1288837943 /nfs/dbraw/zinc/83/79/43/1288837943.db2.gz WJUKPLKRUKLHSH-OAHLLOKOSA-N 1 3 335.895 2.685 20 30 EFEDHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N)N(C)C ZINC001178815744 1288945026 /nfs/dbraw/zinc/94/50/26/1288945026.db2.gz LUXUVBUGAXZLBW-LJQANCHMSA-N 1 3 344.503 2.665 20 30 EFEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539340 1289183596 /nfs/dbraw/zinc/18/35/96/1289183596.db2.gz VKKVCJFMOJNULK-TXPKVOOTSA-N 1 3 339.499 2.744 20 30 EFEDHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001179609669 1289198237 /nfs/dbraw/zinc/19/82/37/1289198237.db2.gz XHDHGSVXUHIIJB-FQEVSTJZSA-N 1 3 343.515 2.645 20 30 EFEDHO C=C(Br)C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369586 1289516302 /nfs/dbraw/zinc/51/63/02/1289516302.db2.gz MOXBQRYVSQZJJN-UHFFFAOYSA-N 1 3 348.329 2.501 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCCCC)CC1 ZINC001180360349 1289494665 /nfs/dbraw/zinc/49/46/65/1289494665.db2.gz FKJTYOLLOKXOOM-UHFFFAOYSA-N 1 3 335.536 2.788 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001180360622 1289494960 /nfs/dbraw/zinc/49/49/60/1289494960.db2.gz KOGGERGGIMEUOB-IBGZPJMESA-N 1 3 347.547 2.953 20 30 EFEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1C ZINC001182806885 1290256994 /nfs/dbraw/zinc/25/69/94/1290256994.db2.gz OBISXHDOTOIDKK-QWFCFKBJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776470 1291019310 /nfs/dbraw/zinc/01/93/10/1291019310.db2.gz NXHCDPDIJLCZQU-MSOLQXFVSA-N 1 3 349.906 2.827 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776470 1291019320 /nfs/dbraw/zinc/01/93/20/1291019320.db2.gz NXHCDPDIJLCZQU-MSOLQXFVSA-N 1 3 349.906 2.827 20 30 EFEDHO C=CCCCN1CCC([NH+]2CCC(C(=O)N3CCCCO3)CC2)CC1 ZINC001277759577 1312853292 /nfs/dbraw/zinc/85/32/92/1312853292.db2.gz GSLSGZCGGVHREJ-UHFFFAOYSA-N 1 3 349.519 2.683 20 30 EFEDHO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517170 1291698384 /nfs/dbraw/zinc/69/83/84/1291698384.db2.gz LHVROZMSBCBLTE-INIZCTEOSA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016611741 1312881030 /nfs/dbraw/zinc/88/10/30/1312881030.db2.gz FSRBFKLECKKBRD-MSOLQXFVSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000957603283 1291854998 /nfs/dbraw/zinc/85/49/98/1291854998.db2.gz QAGWBVCHECKCDC-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)CC2)CC1 ZINC000957625959 1291911709 /nfs/dbraw/zinc/91/17/09/1291911709.db2.gz CLMVPAVASVPYTQ-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)CC2)CC1 ZINC000957647443 1291959928 /nfs/dbraw/zinc/95/99/28/1291959928.db2.gz IHBISQKLNJRSHE-LJQANCHMSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473579 1312900355 /nfs/dbraw/zinc/90/03/55/1312900355.db2.gz MCVMYGRJZYIUMU-MISYRCLQSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473579 1312900358 /nfs/dbraw/zinc/90/03/58/1312900358.db2.gz MCVMYGRJZYIUMU-MISYRCLQSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001049473578 1312900698 /nfs/dbraw/zinc/90/06/98/1312900698.db2.gz MCVMYGRJZYIUMU-DFQSSKMNSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001049473578 1312900701 /nfs/dbraw/zinc/90/07/01/1312900701.db2.gz MCVMYGRJZYIUMU-DFQSSKMNSA-N 1 3 345.531 2.892 20 30 EFEDHO CN1CC[NH+](C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000879593492 1292200302 /nfs/dbraw/zinc/20/03/02/1292200302.db2.gz XTMSIJJUNUUZNN-UHFFFAOYSA-N 1 3 340.515 2.700 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001049509453 1312942324 /nfs/dbraw/zinc/94/23/24/1312942324.db2.gz USRBHFZCERUZCY-OTWHNJEPSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001049509453 1312942327 /nfs/dbraw/zinc/94/23/27/1312942327.db2.gz USRBHFZCERUZCY-OTWHNJEPSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245971 1293568693 /nfs/dbraw/zinc/56/86/93/1293568693.db2.gz HUVAGHHXKZWAQQ-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245971 1293568697 /nfs/dbraw/zinc/56/86/97/1293568697.db2.gz HUVAGHHXKZWAQQ-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001203771805 1313011592 /nfs/dbraw/zinc/01/15/92/1313011592.db2.gz PAXZYIFJLTZBRO-OALUTQOASA-N 1 3 341.499 2.955 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862001 1313015517 /nfs/dbraw/zinc/01/55/17/1313015517.db2.gz RLOWQKUMUXIXOY-ROUUACIJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568774 1313030269 /nfs/dbraw/zinc/03/02/69/1313030269.db2.gz WKFKKJMFFYSJNM-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568774 1313030273 /nfs/dbraw/zinc/03/02/73/1313030273.db2.gz WKFKKJMFFYSJNM-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016981508 1313070175 /nfs/dbraw/zinc/07/01/75/1313070175.db2.gz CVAWNKSDRXMFQO-IBGZPJMESA-N 1 3 341.499 2.909 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](Nc1ccccc1)C(C)C ZINC000303774868 1294578143 /nfs/dbraw/zinc/57/81/43/1294578143.db2.gz GGPLLHQVDBPJGE-ZWKOTPCHSA-N 1 3 331.508 2.512 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(C)C)c1 ZINC000303864957 1294592042 /nfs/dbraw/zinc/59/20/42/1294592042.db2.gz BKGHRNIAMPFPOX-QGZVFWFLSA-N 1 3 332.492 2.610 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)cc1OC ZINC000303893011 1294599931 /nfs/dbraw/zinc/59/99/31/1294599931.db2.gz NZHDDPJUCHFZMF-KGLIPLIRSA-N 1 3 334.464 2.693 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615586 1313089675 /nfs/dbraw/zinc/08/96/75/1313089675.db2.gz LVBHONLXDKCDFK-IPMKNSEASA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615586 1313089680 /nfs/dbraw/zinc/08/96/80/1313089680.db2.gz LVBHONLXDKCDFK-IPMKNSEASA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234414006 1313123193 /nfs/dbraw/zinc/12/31/93/1313123193.db2.gz NCIYNEDXRCZBJF-CEXWTWQISA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234414006 1313123196 /nfs/dbraw/zinc/12/31/96/1313123196.db2.gz NCIYNEDXRCZBJF-CEXWTWQISA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234414007 1313123461 /nfs/dbraw/zinc/12/34/61/1313123461.db2.gz NCIYNEDXRCZBJF-GBESFXJTSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234414007 1313123464 /nfs/dbraw/zinc/12/34/64/1313123464.db2.gz NCIYNEDXRCZBJF-GBESFXJTSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCN[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198774738 1295245253 /nfs/dbraw/zinc/24/52/53/1295245253.db2.gz ADUOVIBGQDSLPB-KRWDZBQOSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCCN[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198774738 1295245264 /nfs/dbraw/zinc/24/52/64/1295245264.db2.gz ADUOVIBGQDSLPB-KRWDZBQOSA-N 1 3 347.503 2.749 20 30 EFEDHO C=C(C)CC[NH2+][C@@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198938935 1295343102 /nfs/dbraw/zinc/34/31/02/1295343102.db2.gz FKTKUAXYOKERON-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCCCN[C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953552 1295352821 /nfs/dbraw/zinc/35/28/21/1295352821.db2.gz PWDPQNUWKUNRRR-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCCCN[C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953552 1295352829 /nfs/dbraw/zinc/35/28/29/1295352829.db2.gz PWDPQNUWKUNRRR-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642115 1313176113 /nfs/dbraw/zinc/17/61/13/1313176113.db2.gz HFWIIYJYXLOVPR-QZTJIDSGSA-N 1 3 341.515 2.945 20 30 EFEDHO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234642115 1313176115 /nfs/dbraw/zinc/17/61/15/1313176115.db2.gz HFWIIYJYXLOVPR-QZTJIDSGSA-N 1 3 341.515 2.945 20 30 EFEDHO CCc1cccc2c(CCNC(=[NH2+])NC[C@H]3CCCN3CC)c[nH]c21 ZINC000304740484 1295747152 /nfs/dbraw/zinc/74/71/52/1295747152.db2.gz BQNYIJRYKHVLEM-QGZVFWFLSA-N 1 3 341.503 2.661 20 30 EFEDHO CC[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)Oc1ccccc1C ZINC000304757004 1295749969 /nfs/dbraw/zinc/74/99/69/1295749969.db2.gz OIYOUFHNOMBZFV-IAGOWNOFSA-N 1 3 332.492 2.541 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000305006320 1295835227 /nfs/dbraw/zinc/83/52/27/1295835227.db2.gz PLPVVPBDISXHAL-SFHVURJKSA-N 1 3 328.504 2.788 20 30 EFEDHO C=CCN(CCN1CCC2(C[NH+](C3CCCC3)C2)CC1)C(=O)OCC ZINC001274929680 1296217781 /nfs/dbraw/zinc/21/77/81/1296217781.db2.gz SPJFFRFCYMTIEX-UHFFFAOYSA-N 1 3 349.519 2.971 20 30 EFEDHO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1cccc(F)c1 ZINC001205419508 1313285076 /nfs/dbraw/zinc/28/50/76/1313285076.db2.gz OJAOUYMDTDUZGJ-ZWKOTPCHSA-N 1 3 347.478 2.626 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049789041 1313302341 /nfs/dbraw/zinc/30/23/41/1313302341.db2.gz UYNDZQKGWYTGRZ-RBUKOAKNSA-N 1 3 327.472 2.613 20 30 EFEDHO N#CCCC[NH+]1CCC2(CCCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277943072 1313314552 /nfs/dbraw/zinc/31/45/52/1313314552.db2.gz MKNCPVXOPOZQNW-UHFFFAOYSA-N 1 3 328.460 2.769 20 30 EFEDHO [NH3+]C1CN([C@H]2CCCN(Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236073412 1313437472 /nfs/dbraw/zinc/43/74/72/1313437472.db2.gz MTSZLLGAMCHEBK-QHCPKHFHSA-N 1 3 345.490 2.694 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049907220 1313466654 /nfs/dbraw/zinc/46/66/54/1313466654.db2.gz BMYUDBISGYOSTM-RBUKOAKNSA-N 1 3 327.472 2.613 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049907220 1313466656 /nfs/dbraw/zinc/46/66/56/1313466656.db2.gz BMYUDBISGYOSTM-RBUKOAKNSA-N 1 3 327.472 2.613 20 30 EFEDHO N#Cc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236316352 1313468278 /nfs/dbraw/zinc/46/82/78/1313468278.db2.gz RKSBICPZVYWGTQ-OKILXGFUSA-N 1 3 334.261 2.752 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049915164 1313479004 /nfs/dbraw/zinc/47/90/04/1313479004.db2.gz TXOWJUUPLXXXRT-AQNXPRMDSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049915164 1313479006 /nfs/dbraw/zinc/47/90/06/1313479006.db2.gz TXOWJUUPLXXXRT-AQNXPRMDSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCOc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OC ZINC000903954795 1313479426 /nfs/dbraw/zinc/47/94/26/1313479426.db2.gz WDKSBBHPQPHFPY-AWEZNQCLSA-N 1 3 326.387 2.594 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180413 1298256279 /nfs/dbraw/zinc/25/62/79/1298256279.db2.gz GVZUDQUVGBTLKN-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180413 1298256284 /nfs/dbraw/zinc/25/62/84/1298256284.db2.gz GVZUDQUVGBTLKN-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181345 1298259102 /nfs/dbraw/zinc/25/91/02/1298259102.db2.gz JHLKAUSKPAPEDJ-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181345 1298259109 /nfs/dbraw/zinc/25/91/09/1298259109.db2.gz JHLKAUSKPAPEDJ-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182322 1298263375 /nfs/dbraw/zinc/26/33/75/1298263375.db2.gz LDQVSGVTQAMCTG-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182322 1298263386 /nfs/dbraw/zinc/26/33/86/1298263386.db2.gz LDQVSGVTQAMCTG-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182319 1298263943 /nfs/dbraw/zinc/26/39/43/1298263943.db2.gz LDQVSGVTQAMCTG-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961182319 1298263953 /nfs/dbraw/zinc/26/39/53/1298263953.db2.gz LDQVSGVTQAMCTG-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189199 1298275231 /nfs/dbraw/zinc/27/52/31/1298275231.db2.gz YKLNGVGRVNAGRF-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189199 1298275243 /nfs/dbraw/zinc/27/52/43/1298275243.db2.gz YKLNGVGRVNAGRF-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049922095 1313487625 /nfs/dbraw/zinc/48/76/25/1313487625.db2.gz YCALJONJDMAYQD-OTWHNJEPSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049922079 1313487739 /nfs/dbraw/zinc/48/77/39/1313487739.db2.gz YCALJONJDMAYQD-GUDVDZBRSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096604461 1313509017 /nfs/dbraw/zinc/50/90/17/1313509017.db2.gz JUTVKDQYPQTDLE-QYZOEREBSA-N 1 3 327.472 2.659 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096604461 1313509021 /nfs/dbraw/zinc/50/90/21/1313509021.db2.gz JUTVKDQYPQTDLE-QYZOEREBSA-N 1 3 327.472 2.659 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373493 1298639345 /nfs/dbraw/zinc/63/93/45/1298639345.db2.gz HISPBGLWRUHALW-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961373493 1298639358 /nfs/dbraw/zinc/63/93/58/1298639358.db2.gz HISPBGLWRUHALW-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961376407 1298645780 /nfs/dbraw/zinc/64/57/80/1298645780.db2.gz STGQXICLOKJEDI-OALUTQOASA-N 1 3 335.536 2.709 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961376407 1298645790 /nfs/dbraw/zinc/64/57/90/1298645790.db2.gz STGQXICLOKJEDI-OALUTQOASA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961406994 1298702102 /nfs/dbraw/zinc/70/21/02/1298702102.db2.gz UKCJDJZZYXMSMP-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961406994 1298702114 /nfs/dbraw/zinc/70/21/14/1298702114.db2.gz UKCJDJZZYXMSMP-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412636 1298708191 /nfs/dbraw/zinc/70/81/91/1298708191.db2.gz UCPHZSAGVCOZFE-UYAOXDASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412636 1298708201 /nfs/dbraw/zinc/70/82/01/1298708201.db2.gz UCPHZSAGVCOZFE-UYAOXDASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC000961435356 1298744160 /nfs/dbraw/zinc/74/41/60/1298744160.db2.gz MIPGKKOHZSBISV-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC000961435356 1298744171 /nfs/dbraw/zinc/74/41/71/1298744171.db2.gz MIPGKKOHZSBISV-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC000961435353 1298744701 /nfs/dbraw/zinc/74/47/01/1298744701.db2.gz MIPGKKOHZSBISV-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC000961435353 1298744712 /nfs/dbraw/zinc/74/47/12/1298744712.db2.gz MIPGKKOHZSBISV-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001211307319 1314472524 /nfs/dbraw/zinc/47/25/24/1314472524.db2.gz SXCVMERFRRCVKU-IEBWSBKVSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001211307319 1314472527 /nfs/dbraw/zinc/47/25/27/1314472527.db2.gz SXCVMERFRRCVKU-IEBWSBKVSA-N 1 3 347.547 2.594 20 30 EFEDHO C#C[C@](C)(CC)N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101778 1299546940 /nfs/dbraw/zinc/54/69/40/1299546940.db2.gz SQWLHDSZOOIDGP-LAUBAEHRSA-N 1 3 341.499 2.547 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315243 1300580375 /nfs/dbraw/zinc/58/03/75/1300580375.db2.gz SBYVUVJSLRISCY-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315243 1300580380 /nfs/dbraw/zinc/58/03/80/1300580380.db2.gz SBYVUVJSLRISCY-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358270 1300680775 /nfs/dbraw/zinc/68/07/75/1300680775.db2.gz QCBHWUQWEMQUOM-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358270 1300680785 /nfs/dbraw/zinc/68/07/85/1300680785.db2.gz QCBHWUQWEMQUOM-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCO[C@H]1CO[C@@]2(C1)CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192329 1313866122 /nfs/dbraw/zinc/86/61/22/1313866122.db2.gz ULYKYDMABHFRLE-UYAOXDASSA-N 1 3 336.520 2.935 20 30 EFEDHO CCc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1C#N ZINC001238772397 1313866867 /nfs/dbraw/zinc/86/68/67/1313866867.db2.gz PFZQFIWSDYZERK-UHFFFAOYSA-N 1 3 340.515 2.580 20 30 EFEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114367872 1302876768 /nfs/dbraw/zinc/87/67/68/1302876768.db2.gz AVQVRYHYZAZXGP-ZSYWTGECSA-N 1 3 335.536 2.878 20 30 EFEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1CCC ZINC001114367872 1302876786 /nfs/dbraw/zinc/87/67/86/1302876786.db2.gz AVQVRYHYZAZXGP-ZSYWTGECSA-N 1 3 335.536 2.878 20 30 EFEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000965933261 1303466515 /nfs/dbraw/zinc/46/65/15/1303466515.db2.gz WCZZEFPWEUZBAL-LMBQMVEXSA-N 1 3 339.911 2.630 20 30 EFEDHO CCCCCCC[C@H](C)NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239215571 1313914450 /nfs/dbraw/zinc/91/44/50/1313914450.db2.gz KXHIKPYGPOQUTI-DLBZAZTESA-N 1 3 338.540 2.909 20 30 EFEDHO CCCCCCCCNC(=O)N(CCN(C)C)C1CC[NH2+]CC1 ZINC001239307328 1313923757 /nfs/dbraw/zinc/92/37/57/1313923757.db2.gz AHZDMALYVAGJPO-UHFFFAOYSA-N 1 3 326.529 2.672 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1CC ZINC001037923004 1304761083 /nfs/dbraw/zinc/76/10/83/1304761083.db2.gz DMAHMNBMBNHUQM-JKSUJKDBSA-N 1 3 341.927 2.688 20 30 EFEDHO CC[NH+](CC)CCCN1CCN(CCCc2cccc(C#N)c2)CC1 ZINC001208853033 1314029943 /nfs/dbraw/zinc/02/99/43/1314029943.db2.gz AHHLITLWJBGMLE-UHFFFAOYSA-N 1 3 342.531 2.840 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1CC ZINC001037949287 1305203160 /nfs/dbraw/zinc/20/31/60/1305203160.db2.gz LZBZAXHSVAGPTJ-DLBZAZTESA-N 1 3 341.927 2.688 20 30 EFEDHO Cn1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cc1C#N ZINC001276608716 1314072062 /nfs/dbraw/zinc/07/20/62/1314072062.db2.gz TZEGQSOVNAFKPQ-HDICACEKSA-N 1 3 337.471 2.569 20 30 EFEDHO Cn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cc1C#N ZINC001276608716 1314072066 /nfs/dbraw/zinc/07/20/66/1314072066.db2.gz TZEGQSOVNAFKPQ-HDICACEKSA-N 1 3 337.471 2.569 20 30 EFEDHO C=CCCCCCC[C@H](O)C[N@H+](CCCOC)C1CCNCC1 ZINC001246046419 1314573386 /nfs/dbraw/zinc/57/33/86/1314573386.db2.gz QBDMVQFFZCZVPO-IBGZPJMESA-N 1 3 326.525 2.964 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673210 1306556202 /nfs/dbraw/zinc/55/62/02/1306556202.db2.gz JBIRCOYYJODGHV-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673210 1306556204 /nfs/dbraw/zinc/55/62/04/1306556204.db2.gz JBIRCOYYJODGHV-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044861227 1306871449 /nfs/dbraw/zinc/87/14/49/1306871449.db2.gz AQOXICJKFIVCDZ-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441635 1307341830 /nfs/dbraw/zinc/34/18/30/1307341830.db2.gz IHTPMNCODTXQBZ-GOSISDBHSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CCN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441635 1307341837 /nfs/dbraw/zinc/34/18/37/1307341837.db2.gz IHTPMNCODTXQBZ-GOSISDBHSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)C[NH+]1CCC(C)(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001045646334 1307498136 /nfs/dbraw/zinc/49/81/36/1307498136.db2.gz GUKXVXBWSFISHC-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942467 1307953437 /nfs/dbraw/zinc/95/34/37/1307953437.db2.gz YBKAMRIFOSZTKM-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942467 1307953443 /nfs/dbraw/zinc/95/34/43/1307953443.db2.gz YBKAMRIFOSZTKM-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942445 1307953713 /nfs/dbraw/zinc/95/37/13/1307953713.db2.gz XPVSFPCBQHZTDL-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001045942445 1307953717 /nfs/dbraw/zinc/95/37/17/1307953717.db2.gz XPVSFPCBQHZTDL-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943239 1307956212 /nfs/dbraw/zinc/95/62/12/1307956212.db2.gz HDAIRENTWJUSAK-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943239 1307956213 /nfs/dbraw/zinc/95/62/13/1307956213.db2.gz HDAIRENTWJUSAK-LJQANCHMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969821 1308033029 /nfs/dbraw/zinc/03/30/29/1308033029.db2.gz ZTHPLCBNGSHJMM-LJQANCHMSA-N 1 3 330.476 2.623 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969821 1308033035 /nfs/dbraw/zinc/03/30/35/1308033035.db2.gz ZTHPLCBNGSHJMM-LJQANCHMSA-N 1 3 330.476 2.623 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045973850 1308044171 /nfs/dbraw/zinc/04/41/71/1308044171.db2.gz VZPLZPAEMFHEKM-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001045986539 1308088535 /nfs/dbraw/zinc/08/85/35/1308088535.db2.gz TXPRVDAGQOUYDE-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001045986539 1308088539 /nfs/dbraw/zinc/08/85/39/1308088539.db2.gz TXPRVDAGQOUYDE-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510441 1308125147 /nfs/dbraw/zinc/12/51/47/1308125147.db2.gz PXKAXBZRFSVHQQ-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510441 1308125151 /nfs/dbraw/zinc/12/51/51/1308125151.db2.gz PXKAXBZRFSVHQQ-VQIMIIECSA-N 1 3 339.499 2.746 20 30 EFEDHO C[NH2+]Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001242991265 1314250797 /nfs/dbraw/zinc/25/07/97/1314250797.db2.gz ATVUTUGOPYJTLC-HNNXBMFYSA-N 1 3 338.411 2.812 20 30 EFEDHO C[NH2+]Cc1cccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001242996757 1314251517 /nfs/dbraw/zinc/25/15/17/1314251517.db2.gz NKWMCXYKFLTJOJ-HNNXBMFYSA-N 1 3 338.411 2.812 20 30 EFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001096101491 1308737810 /nfs/dbraw/zinc/73/78/10/1308737810.db2.gz XYVZGWOXDFCWLZ-YRXWBPOGSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001096101491 1308737812 /nfs/dbraw/zinc/73/78/12/1308737812.db2.gz XYVZGWOXDFCWLZ-YRXWBPOGSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703211 1314311448 /nfs/dbraw/zinc/31/14/48/1314311448.db2.gz RGVXPKIVMJUJFF-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052703211 1314311452 /nfs/dbraw/zinc/31/14/52/1314311452.db2.gz RGVXPKIVMJUJFF-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCc1cccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c1[O-] ZINC001276684950 1314339733 /nfs/dbraw/zinc/33/97/33/1314339733.db2.gz QQRTWDCMHPMEMO-UHFFFAOYSA-N 1 3 343.515 2.580 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047242875 1310396099 /nfs/dbraw/zinc/39/60/99/1310396099.db2.gz GYXDGZNUBSDDDZ-UXHICEINSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047257016 1310432204 /nfs/dbraw/zinc/43/22/04/1310432204.db2.gz OLXSOUWOQMJTMN-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047257638 1310433235 /nfs/dbraw/zinc/43/32/35/1310433235.db2.gz SMKRDJNBHOMFGH-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047257636 1310433443 /nfs/dbraw/zinc/43/34/43/1310433443.db2.gz SMKRDJNBHOMFGH-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730438 1311020617 /nfs/dbraw/zinc/02/06/17/1311020617.db2.gz HSGIEJKKAMUSIX-KZNAEPCWSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730438 1311020618 /nfs/dbraw/zinc/02/06/18/1311020618.db2.gz HSGIEJKKAMUSIX-KZNAEPCWSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCCCCC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223472688 1311264981 /nfs/dbraw/zinc/26/49/81/1311264981.db2.gz SJRTYOXBYXNPEC-IBGZPJMESA-N 1 3 335.536 2.901 20 30 EFEDHO C[NH+](C)CCC(C)(C)Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001158760273 1311381686 /nfs/dbraw/zinc/38/16/86/1311381686.db2.gz NVMDCYBTUZVIQP-CYBMUJFWSA-N 1 3 347.463 2.568 20 30 EFEDHO C=C(C)C[NH+]1CCC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224560764 1311407430 /nfs/dbraw/zinc/40/74/30/1311407430.db2.gz WXVCOXOKCBYEHE-LJQANCHMSA-N 1 3 339.499 2.603 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360403 1311697427 /nfs/dbraw/zinc/69/74/27/1311697427.db2.gz QMIKORVAWTUDMW-APWZRJJASA-N 1 3 333.520 2.820 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360403 1311697430 /nfs/dbraw/zinc/69/74/30/1311697430.db2.gz QMIKORVAWTUDMW-APWZRJJASA-N 1 3 333.520 2.820 20 30 EFEDHO C=CCN1CCC[C@H]1CNc1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001160952966 1311819985 /nfs/dbraw/zinc/81/99/85/1311819985.db2.gz KUDPXWUVTKFUGK-AWEZNQCLSA-N 1 3 335.883 2.659 20 30 EFEDHO C#CCCCCCCCCC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444872 1311891021 /nfs/dbraw/zinc/89/10/21/1311891021.db2.gz LHBLLEFFGJOGEG-LJQANCHMSA-N 1 3 335.536 2.883 20 30 EFEDHO C=C(C)Cc1ccc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161449874 1311892388 /nfs/dbraw/zinc/89/23/88/1311892388.db2.gz UTYZAWCTQFJHOS-IBGZPJMESA-N 1 3 329.488 2.561 20 30 EFEDHO C=CCCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001229193277 1312060045 /nfs/dbraw/zinc/06/00/45/1312060045.db2.gz IOUINXGIYSPTBA-IBGZPJMESA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)N(C)CC ZINC001162851368 1312189917 /nfs/dbraw/zinc/18/99/17/1312189917.db2.gz SWECRZZPGLOOSO-UHFFFAOYSA-N 1 3 345.531 2.954 20 30 EFEDHO C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162986892 1312219690 /nfs/dbraw/zinc/21/96/90/1312219690.db2.gz COISILHRTGJAMN-UHFFFAOYSA-N 1 3 345.531 2.955 20 30 EFEDHO C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163006936 1312224701 /nfs/dbraw/zinc/22/47/01/1312224701.db2.gz LRJWIFADEISJDR-UHFFFAOYSA-N 1 3 345.531 2.954 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230623407 1312288761 /nfs/dbraw/zinc/28/87/61/1312288761.db2.gz XFMJKSWKVCGBSU-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230623407 1312288765 /nfs/dbraw/zinc/28/87/65/1312288765.db2.gz XFMJKSWKVCGBSU-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN(CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230841725 1312366776 /nfs/dbraw/zinc/36/67/76/1312366776.db2.gz VSIZGZIPUVODHH-LJQANCHMSA-N 1 3 346.519 2.552 20 30 EFEDHO C=CCCC[N@@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871746 1312375606 /nfs/dbraw/zinc/37/56/06/1312375606.db2.gz QAHZBRPDWJDVQT-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=CCCC[N@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871746 1312375610 /nfs/dbraw/zinc/37/56/10/1312375610.db2.gz QAHZBRPDWJDVQT-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=C(C)CN(CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230906819 1312387608 /nfs/dbraw/zinc/38/76/08/1312387608.db2.gz VRRGXCSUWCWCEG-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=CCCC[N@@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932193 1312395688 /nfs/dbraw/zinc/39/56/88/1312395688.db2.gz OWBBBBBBCHDYMC-UHFFFAOYSA-N 1 3 346.519 2.696 20 30 EFEDHO C=CCCC[N@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932193 1312395691 /nfs/dbraw/zinc/39/56/91/1312395691.db2.gz OWBBBBBBCHDYMC-UHFFFAOYSA-N 1 3 346.519 2.696 20 30 EFEDHO C=CCCCCCC[C@H](O)C[N@@H+](CCCOC)C1CCNCC1 ZINC001246046419 1314573382 /nfs/dbraw/zinc/57/33/82/1314573382.db2.gz QBDMVQFFZCZVPO-IBGZPJMESA-N 1 3 326.525 2.964 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC001246527141 1314642002 /nfs/dbraw/zinc/64/20/02/1314642002.db2.gz SJMVDCRGZWWMSX-SJORKVTESA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)C1 ZINC001246527141 1314642006 /nfs/dbraw/zinc/64/20/06/1314642006.db2.gz SJMVDCRGZWWMSX-SJORKVTESA-N 1 3 335.492 2.628 20 30 EFEDHO N#Cc1ccc(C2CCC([N@@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246620250 1314658278 /nfs/dbraw/zinc/65/82/78/1314658278.db2.gz XFCHSWYBLOVNKC-JSRAGOMMSA-N 1 3 338.499 2.610 20 30 EFEDHO N#Cc1ccc(C2CCC([N@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246620250 1314658282 /nfs/dbraw/zinc/65/82/82/1314658282.db2.gz XFCHSWYBLOVNKC-JSRAGOMMSA-N 1 3 338.499 2.610 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087928 1314695084 /nfs/dbraw/zinc/69/50/84/1314695084.db2.gz PBZVUPUXRGIBLH-AZUAARDMSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087928 1314695087 /nfs/dbraw/zinc/69/50/87/1314695087.db2.gz PBZVUPUXRGIBLH-AZUAARDMSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088427 1314695870 /nfs/dbraw/zinc/69/58/70/1314695870.db2.gz VCDTVPTVAYJBGB-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088427 1314695873 /nfs/dbraw/zinc/69/58/73/1314695873.db2.gz VCDTVPTVAYJBGB-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098954 1314713618 /nfs/dbraw/zinc/71/36/18/1314713618.db2.gz RILRMXBAXYXARF-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098954 1314713619 /nfs/dbraw/zinc/71/36/19/1314713619.db2.gz RILRMXBAXYXARF-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099769 1314715423 /nfs/dbraw/zinc/71/54/23/1314715423.db2.gz YTTRKWNDLSKOBR-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099769 1314715428 /nfs/dbraw/zinc/71/54/28/1314715428.db2.gz YTTRKWNDLSKOBR-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551238 1314850467 /nfs/dbraw/zinc/85/04/67/1314850467.db2.gz OLWKSFMMCDGHJV-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624002 1315048527 /nfs/dbraw/zinc/04/85/27/1315048527.db2.gz RQCNPGVIHJFYGN-MOPGFXCFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624002 1315048532 /nfs/dbraw/zinc/04/85/32/1315048532.db2.gz RQCNPGVIHJFYGN-MOPGFXCFSA-N 1 3 333.520 2.940 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054144586 1315362828 /nfs/dbraw/zinc/36/28/28/1315362828.db2.gz AAIFWAWEBGYUCZ-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054144586 1315362831 /nfs/dbraw/zinc/36/28/31/1315362831.db2.gz AAIFWAWEBGYUCZ-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174403 1315410311 /nfs/dbraw/zinc/41/03/11/1315410311.db2.gz OMCPUQGXBSFLOK-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174403 1315410314 /nfs/dbraw/zinc/41/03/14/1315410314.db2.gz OMCPUQGXBSFLOK-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191840 1315433381 /nfs/dbraw/zinc/43/33/81/1315433381.db2.gz NERDZRCXLKHZGS-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191840 1315433385 /nfs/dbraw/zinc/43/33/85/1315433385.db2.gz NERDZRCXLKHZGS-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCOC[C@@H](O)C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001252460525 1315451977 /nfs/dbraw/zinc/45/19/77/1315451977.db2.gz CPCNZBKGKKOOPE-HKUYNNGSSA-N 1 3 348.487 2.520 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001054209781 1315461955 /nfs/dbraw/zinc/46/19/55/1315461955.db2.gz XQWISWGEXZPNQK-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209783 1315462080 /nfs/dbraw/zinc/46/20/80/1315462080.db2.gz XQWISWGEXZPNQK-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039137200 1315523921 /nfs/dbraw/zinc/52/39/21/1315523921.db2.gz QSYCFFZARWPCJR-DLBZAZTESA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC001039137200 1315523922 /nfs/dbraw/zinc/52/39/22/1315523922.db2.gz QSYCFFZARWPCJR-DLBZAZTESA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234158 1315657168 /nfs/dbraw/zinc/65/71/68/1315657168.db2.gz PRCWGAXSIYMTPM-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234158 1315657170 /nfs/dbraw/zinc/65/71/70/1315657170.db2.gz PRCWGAXSIYMTPM-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048845 1315741001 /nfs/dbraw/zinc/74/10/01/1315741001.db2.gz ORERTOZCLUBOBG-CMKODMSKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048845 1315741003 /nfs/dbraw/zinc/74/10/03/1315741003.db2.gz ORERTOZCLUBOBG-CMKODMSKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207369 1315750056 /nfs/dbraw/zinc/75/00/56/1315750056.db2.gz NKIDPJSKAMMXBK-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207369 1315750060 /nfs/dbraw/zinc/75/00/60/1315750060.db2.gz NKIDPJSKAMMXBK-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392210 1315758963 /nfs/dbraw/zinc/75/89/63/1315758963.db2.gz HPKGFVGVYKJYDK-MSOLQXFVSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039447864 1315797752 /nfs/dbraw/zinc/79/77/52/1315797752.db2.gz MZNGKGMMYQFRNS-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039447864 1315797754 /nfs/dbraw/zinc/79/77/54/1315797754.db2.gz MZNGKGMMYQFRNS-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001039458041 1315805147 /nfs/dbraw/zinc/80/51/47/1315805147.db2.gz CDFZHHHLXUSGTR-AABGKKOBSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039458041 1315805151 /nfs/dbraw/zinc/80/51/51/1315805151.db2.gz CDFZHHHLXUSGTR-AABGKKOBSA-N 1 3 345.531 2.730 20 30 EFEDHO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H](C)CCN(CC)CC)C2 ZINC001255944155 1315883119 /nfs/dbraw/zinc/88/31/19/1315883119.db2.gz SCHVMEATEDBAOI-FUHWJXTLSA-N 1 3 331.504 2.602 20 30 EFEDHO C[C@@H]1C[C@@H](NC(=N)c2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001256528293 1315951856 /nfs/dbraw/zinc/95/18/56/1315951856.db2.gz YZCIEQZBFSKANO-PBHICJAKSA-N 1 3 326.419 2.979 20 30 EFEDHO C[C@@H]1C[C@@H](NC(=N)c2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC001256528293 1315951858 /nfs/dbraw/zinc/95/18/58/1315951858.db2.gz YZCIEQZBFSKANO-PBHICJAKSA-N 1 3 326.419 2.979 20 30 EFEDHO N#Cc1ccccc1N1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855907 1316000115 /nfs/dbraw/zinc/00/01/15/1316000115.db2.gz ZKVFIPSURUIEFZ-UHFFFAOYSA-N 1 3 347.466 2.744 20 30 EFEDHO C=CCOC(=O)N1CC2(C1)CCN(C1CC[NH+](C(C)C)CC1)CC2 ZINC001257212961 1316047029 /nfs/dbraw/zinc/04/70/29/1316047029.db2.gz FTLMGGDJPOVGIK-UHFFFAOYSA-N 1 3 335.492 2.580 20 30 EFEDHO C=CCOC(=O)N1CCC[C@@]2(CCN(C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001257213147 1316047252 /nfs/dbraw/zinc/04/72/52/1316047252.db2.gz HTSSBZDMIKYFGS-FQEVSTJZSA-N 1 3 349.519 2.970 20 30 EFEDHO C=CCN1CCC[C@H]1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001258137042 1316123598 /nfs/dbraw/zinc/12/35/98/1316123598.db2.gz BVXBECQSSNBIGV-NRFANRHFSA-N 1 3 327.516 2.934 20 30 EFEDHO O=C1C=C2CN(C3CC[NH+](CCc4ccccc4)CC3)CCC2S1 ZINC001258143657 1316124607 /nfs/dbraw/zinc/12/46/07/1316124607.db2.gz NZAUGCHMAIPJFR-LJQANCHMSA-N 1 3 342.508 2.968 20 30 EFEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391988 1316239039 /nfs/dbraw/zinc/23/90/39/1316239039.db2.gz RYNVFGAIMCLAGN-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391988 1316239042 /nfs/dbraw/zinc/23/90/42/1316239042.db2.gz RYNVFGAIMCLAGN-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433249 1316263413 /nfs/dbraw/zinc/26/34/13/1316263413.db2.gz VCCJJENGBATMEM-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465525 1316281460 /nfs/dbraw/zinc/28/14/60/1316281460.db2.gz ZNUONEQQCBMHQT-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465525 1316281463 /nfs/dbraw/zinc/28/14/63/1316281463.db2.gz ZNUONEQQCBMHQT-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545576 1316316470 /nfs/dbraw/zinc/31/64/70/1316316470.db2.gz RDGMYIXXXODVHA-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545576 1316316473 /nfs/dbraw/zinc/31/64/73/1316316473.db2.gz RDGMYIXXXODVHA-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545578 1316316778 /nfs/dbraw/zinc/31/67/78/1316316778.db2.gz RDGMYIXXXODVHA-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545578 1316316782 /nfs/dbraw/zinc/31/67/82/1316316782.db2.gz RDGMYIXXXODVHA-UYAOXDASSA-N 1 3 333.520 2.751 20 30 EFEDHO CC#CCN1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040726599 1316360711 /nfs/dbraw/zinc/36/07/11/1316360711.db2.gz LUQMNEHGLGUAGQ-LJQANCHMSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040726599 1316360713 /nfs/dbraw/zinc/36/07/13/1316360713.db2.gz LUQMNEHGLGUAGQ-LJQANCHMSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847475 1316388258 /nfs/dbraw/zinc/38/82/58/1316388258.db2.gz QCIOWWGKYUYKFR-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040895391 1316399668 /nfs/dbraw/zinc/39/96/68/1316399668.db2.gz WPNXAFMNTUCAIR-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001041424630 1316549020 /nfs/dbraw/zinc/54/90/20/1316549020.db2.gz NBRNWTQHDJTVHA-NRFANRHFSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424630 1316549021 /nfs/dbraw/zinc/54/90/21/1316549021.db2.gz NBRNWTQHDJTVHA-NRFANRHFSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041843372 1316730326 /nfs/dbraw/zinc/73/03/26/1316730326.db2.gz QYYXNUFQOBYXHP-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041843372 1316730328 /nfs/dbraw/zinc/73/03/28/1316730328.db2.gz QYYXNUFQOBYXHP-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122642 1316894513 /nfs/dbraw/zinc/89/45/13/1316894513.db2.gz ACPWCVRWUNDVJU-WMZOPIPTSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122642 1316894516 /nfs/dbraw/zinc/89/45/16/1316894516.db2.gz ACPWCVRWUNDVJU-WMZOPIPTSA-N 1 3 333.520 2.748 20 30 EFEDHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001266182245 1317129108 /nfs/dbraw/zinc/12/91/08/1317129108.db2.gz DINFPOAIPYJPJL-YJBOKZPZSA-N 1 3 349.906 2.516 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365841 1317218739 /nfs/dbraw/zinc/21/87/39/1317218739.db2.gz RCQXROJKQDCPAQ-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365841 1317218745 /nfs/dbraw/zinc/21/87/45/1317218745.db2.gz RCQXROJKQDCPAQ-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369234 1317225120 /nfs/dbraw/zinc/22/51/20/1317225120.db2.gz VALNDHDKUDGVAW-XLIONFOSSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369234 1317225125 /nfs/dbraw/zinc/22/51/25/1317225125.db2.gz VALNDHDKUDGVAW-XLIONFOSSA-N 1 3 341.499 2.861 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC001318115700 1328498949 /nfs/dbraw/zinc/49/89/49/1328498949.db2.gz LKHIXUHHEKMWEP-UHFFFAOYSA-N 1 3 325.456 2.566 20 30 EFEDHO CC1CC[NH+](CCCNCCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001329140058 1330672946 /nfs/dbraw/zinc/67/29/46/1330672946.db2.gz CODRUOSTNPXLOE-UHFFFAOYSA-N 1 3 328.460 2.598 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC001336797851 1331503804 /nfs/dbraw/zinc/50/38/04/1331503804.db2.gz FRFHHZSKFKGWSE-SJLPKXTDSA-N 1 3 336.524 2.576 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089917 1332137981 /nfs/dbraw/zinc/13/79/81/1332137981.db2.gz HFKVJLQLDAMCBM-RTBURBONSA-N 1 3 329.488 2.651 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089917 1332137984 /nfs/dbraw/zinc/13/79/84/1332137984.db2.gz HFKVJLQLDAMCBM-RTBURBONSA-N 1 3 329.488 2.651 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001340822335 1332209518 /nfs/dbraw/zinc/20/95/18/1332209518.db2.gz HZAMHJVBSRGWHT-IBGZPJMESA-N 1 3 329.488 2.698 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616453 1332271290 /nfs/dbraw/zinc/27/12/90/1332271290.db2.gz YTTUIMMSEKGXRG-YTQUADARSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616453 1332271293 /nfs/dbraw/zinc/27/12/93/1332271293.db2.gz YTTUIMMSEKGXRG-YTQUADARSA-N 1 3 329.488 2.697 20 30 EFEDHO CC#CCN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001757267 1333447874 /nfs/dbraw/zinc/44/78/74/1333447874.db2.gz QSIZUQTUIXSRHV-FQEVSTJZSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CCN1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001001757267 1333447876 /nfs/dbraw/zinc/44/78/76/1333447876.db2.gz QSIZUQTUIXSRHV-FQEVSTJZSA-N 1 3 345.531 2.635 20 30 EFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CCC#N)CC(C)C)CC2)CC1 ZINC000847399457 1333661335 /nfs/dbraw/zinc/66/13/35/1333661335.db2.gz QOGLDFFLZMSAAV-UHFFFAOYSA-N 1 3 348.535 2.581 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200795685 1334542814 /nfs/dbraw/zinc/54/28/14/1334542814.db2.gz NDOPRWBAWIIGRS-QZTJIDSGSA-N 1 3 341.540 2.504 20 30 EFEDHO c1ccc(NC(=[NH+]C[C@@H]2CN3CCC[C@H]3CO2)N2CCCCC2)cc1 ZINC000849073967 1335069397 /nfs/dbraw/zinc/06/93/97/1335069397.db2.gz SHJFOXQNDKZQCE-RBUKOAKNSA-N 1 3 342.487 2.804 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001367164667 1338463856 /nfs/dbraw/zinc/46/38/56/1338463856.db2.gz JRBSNHDRZILPTD-UHFFFAOYSA-N 1 3 327.900 2.634 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001368769669 1339694751 /nfs/dbraw/zinc/69/47/51/1339694751.db2.gz GTYVSSXJHREGJI-QGZVFWFLSA-N 1 3 343.943 2.886 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001375174545 1342490291 /nfs/dbraw/zinc/49/02/91/1342490291.db2.gz FVFTYYPHCMTLML-CVEARBPZSA-N 1 3 343.943 2.981 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC ZINC001375292895 1342600067 /nfs/dbraw/zinc/60/00/67/1342600067.db2.gz YWADZBRALDQTGO-CVEARBPZSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001375593303 1342910911 /nfs/dbraw/zinc/91/09/11/1342910911.db2.gz HAYNKRPHNOGLMF-QGZVFWFLSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001375593303 1342910912 /nfs/dbraw/zinc/91/09/12/1342910912.db2.gz HAYNKRPHNOGLMF-QGZVFWFLSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377602213 1344208523 /nfs/dbraw/zinc/20/85/23/1344208523.db2.gz BYYKGNYZHWPUJN-GOEBONIOSA-N 1 3 329.916 2.542 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928980 1345434621 /nfs/dbraw/zinc/43/46/21/1345434621.db2.gz SOOCDPHONYFBOD-WBVHZDCISA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667720 1387275533 /nfs/dbraw/zinc/27/55/33/1387275533.db2.gz MZQSQJLHIVTGTA-RDJZCZTQSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192890 1360368679 /nfs/dbraw/zinc/36/86/79/1360368679.db2.gz ARMHGGTUDRHGRY-IRXDYDNUSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001398192894 1360368796 /nfs/dbraw/zinc/36/87/96/1360368796.db2.gz ARMHGGTUDRHGRY-SJORKVTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001402064570 1363371305 /nfs/dbraw/zinc/37/13/05/1363371305.db2.gz ZMHNBNLPQNORTN-LSDHHAIUSA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(Cl)CNCC1(NC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001405408345 1366179579 /nfs/dbraw/zinc/17/95/79/1366179579.db2.gz RNKFZCXOQRHXQD-UHFFFAOYSA-N 1 3 327.900 2.634 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419831252 1375951981 /nfs/dbraw/zinc/95/19/81/1375951981.db2.gz NQVDLNPABBUUCI-HZPDHXFCSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001421020443 1378032151 /nfs/dbraw/zinc/03/21/51/1378032151.db2.gz RUCJUOMXOXXMJH-QGZVFWFLSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001421020443 1378032153 /nfs/dbraw/zinc/03/21/53/1378032153.db2.gz RUCJUOMXOXXMJH-QGZVFWFLSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001422420776 1380067758 /nfs/dbraw/zinc/06/77/58/1380067758.db2.gz JTRYLFFWAKUSQO-UHFFFAOYSA-N 1 3 327.900 2.582 20 30 EFEDHO C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001423327740 1381789507 /nfs/dbraw/zinc/78/95/07/1381789507.db2.gz UGRGMKFYBXJNPI-KRWDZBQOSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CN(CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001423339996 1381807908 /nfs/dbraw/zinc/80/79/08/1381807908.db2.gz WEDCACMZQYOZJF-UHFFFAOYSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1CC ZINC001440890453 1389982308 /nfs/dbraw/zinc/98/23/08/1389982308.db2.gz VGBRXIRERSBXJE-OAHLLOKOSA-N 1 3 329.916 2.688 20 30 EFEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001447964526 1391860336 /nfs/dbraw/zinc/86/03/36/1391860336.db2.gz MLCYONVILOIARW-MRXNPFEDSA-N 1 3 343.943 2.935 20 30 EFEDHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001447964526 1391860343 /nfs/dbraw/zinc/86/03/43/1391860343.db2.gz MLCYONVILOIARW-MRXNPFEDSA-N 1 3 343.943 2.935 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479311703 1397677735 /nfs/dbraw/zinc/67/77/35/1397677735.db2.gz ZTBGUZXOYDCZFR-IYBDPMFKSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479311703 1397677741 /nfs/dbraw/zinc/67/77/41/1397677741.db2.gz ZTBGUZXOYDCZFR-IYBDPMFKSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001479384691 1397709938 /nfs/dbraw/zinc/70/99/38/1397709938.db2.gz ZTBGUZXOYDCZFR-WKILWMFISA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001479384691 1397709943 /nfs/dbraw/zinc/70/99/43/1397709943.db2.gz ZTBGUZXOYDCZFR-WKILWMFISA-N 1 3 341.927 2.878 20 30 EFEDHO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155844 712942360 /nfs/dbraw/zinc/94/23/60/712942360.db2.gz DLALQTOBKSSDFY-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155844 712942363 /nfs/dbraw/zinc/94/23/63/712942363.db2.gz DLALQTOBKSSDFY-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCC(=C)C)CC1 ZINC000969156201 712943273 /nfs/dbraw/zinc/94/32/73/712943273.db2.gz MDUQFFUCLJKFPX-HXUWFJFHSA-N 1 3 345.531 2.659 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(=C)C)CC1 ZINC000969156201 712943274 /nfs/dbraw/zinc/94/32/74/712943274.db2.gz MDUQFFUCLJKFPX-HXUWFJFHSA-N 1 3 345.531 2.659 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679600 713214404 /nfs/dbraw/zinc/21/44/04/713214404.db2.gz HAJHYDBRRAJEIF-SJORKVTESA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679600 713214406 /nfs/dbraw/zinc/21/44/06/713214406.db2.gz HAJHYDBRRAJEIF-SJORKVTESA-N 1 3 333.520 2.654 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617869 718027073 /nfs/dbraw/zinc/02/70/73/718027073.db2.gz MHBGODALIBDDHI-VQTJNVASSA-N 1 3 345.531 2.778 20 30 EFEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617869 718027077 /nfs/dbraw/zinc/02/70/77/718027077.db2.gz MHBGODALIBDDHI-VQTJNVASSA-N 1 3 345.531 2.778 20 30 EFEDHO C[NH+]1CCC(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000891853680 715066482 /nfs/dbraw/zinc/06/64/82/715066482.db2.gz CFUPTCLLEGXFEM-UHFFFAOYSA-N 1 3 349.482 2.570 20 30 EFEDHO C=CCC[N@H+]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038994 715443880 /nfs/dbraw/zinc/44/38/80/715443880.db2.gz MHJFTGMIGNLVJZ-KXBFYZLASA-N 1 3 339.499 2.602 20 30 EFEDHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038994 715443884 /nfs/dbraw/zinc/44/38/84/715443884.db2.gz MHJFTGMIGNLVJZ-KXBFYZLASA-N 1 3 339.499 2.602 20 30 EFEDHO C=CCC[N@H+]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038992 715444335 /nfs/dbraw/zinc/44/43/35/715444335.db2.gz MHJFTGMIGNLVJZ-HNAYVOBHSA-N 1 3 339.499 2.602 20 30 EFEDHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975038992 715444336 /nfs/dbraw/zinc/44/43/36/715444336.db2.gz MHJFTGMIGNLVJZ-HNAYVOBHSA-N 1 3 339.499 2.602 20 30 EFEDHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000303710330 724416927 /nfs/dbraw/zinc/41/69/27/724416927.db2.gz OJABHMZWAVCDEO-AWEZNQCLSA-N 1 3 334.464 2.695 20 30 EFEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553258 716617634 /nfs/dbraw/zinc/61/76/34/716617634.db2.gz YKRYGWCDRFQAGX-ICSRJNTNSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023553258 716617636 /nfs/dbraw/zinc/61/76/36/716617636.db2.gz YKRYGWCDRFQAGX-ICSRJNTNSA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885647 717835009 /nfs/dbraw/zinc/83/50/09/717835009.db2.gz HKOVTUUONBSTAT-MJGOQNOKSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885647 717835013 /nfs/dbraw/zinc/83/50/13/717835013.db2.gz HKOVTUUONBSTAT-MJGOQNOKSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751846 718134482 /nfs/dbraw/zinc/13/44/82/718134482.db2.gz LLWLARNTRASQPT-MOPGFXCFSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751846 718134484 /nfs/dbraw/zinc/13/44/84/718134484.db2.gz LLWLARNTRASQPT-MOPGFXCFSA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811804 718175463 /nfs/dbraw/zinc/17/54/63/718175463.db2.gz ZSGKJEWQAZAZBR-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024811804 718175464 /nfs/dbraw/zinc/17/54/64/718175464.db2.gz ZSGKJEWQAZAZBR-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624063 719242394 /nfs/dbraw/zinc/24/23/94/719242394.db2.gz AXUSACMIRKLBNW-XLIONFOSSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624063 719242395 /nfs/dbraw/zinc/24/23/95/719242395.db2.gz AXUSACMIRKLBNW-XLIONFOSSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624062 719242413 /nfs/dbraw/zinc/24/24/13/719242413.db2.gz AXUSACMIRKLBNW-PXNSSMCTSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025624062 719242414 /nfs/dbraw/zinc/24/24/14/719242414.db2.gz AXUSACMIRKLBNW-PXNSSMCTSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629317 719253707 /nfs/dbraw/zinc/25/37/07/719253707.db2.gz FSOYLICFVARAQH-QZTJIDSGSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629317 719253709 /nfs/dbraw/zinc/25/37/09/719253709.db2.gz FSOYLICFVARAQH-QZTJIDSGSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629681 719254429 /nfs/dbraw/zinc/25/44/29/719254429.db2.gz IQBRSLFRUBGVRA-UYAOXDASSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629681 719254430 /nfs/dbraw/zinc/25/44/30/719254430.db2.gz IQBRSLFRUBGVRA-UYAOXDASSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631339 719259146 /nfs/dbraw/zinc/25/91/46/719259146.db2.gz ZRYQZMIEAXOLBW-AZUAARDMSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001025631339 719259148 /nfs/dbraw/zinc/25/91/48/719259148.db2.gz ZRYQZMIEAXOLBW-AZUAARDMSA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276679 719775873 /nfs/dbraw/zinc/77/58/73/719775873.db2.gz ZBEZCYJRADGRCW-SESVDKBCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276679 719775877 /nfs/dbraw/zinc/77/58/77/719775877.db2.gz ZBEZCYJRADGRCW-SESVDKBCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]12 ZINC001026266317 720073767 /nfs/dbraw/zinc/07/37/67/720073767.db2.gz DTBFGECPNDEUHN-KZNAEPCWSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]12 ZINC001026427868 720559830 /nfs/dbraw/zinc/55/98/30/720559830.db2.gz VHZZDRSICGNLGQ-HSALFYBXSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559127 720751047 /nfs/dbraw/zinc/75/10/47/720751047.db2.gz BIFQKJCVQGVTAJ-LADRWXRNSA-N 1 3 339.499 2.792 20 30 EFEDHO C=C(C)C[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001026609239 720818835 /nfs/dbraw/zinc/81/88/35/720818835.db2.gz CKEXRLSZKQJTOQ-UHFFFAOYSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552813 720820121 /nfs/dbraw/zinc/82/01/21/720820121.db2.gz DNAWZIZCPCCONF-RLLQIKCJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552813 720820129 /nfs/dbraw/zinc/82/01/29/720820129.db2.gz DNAWZIZCPCCONF-RLLQIKCJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618727 720953894 /nfs/dbraw/zinc/95/38/94/720953894.db2.gz ZWYZFSAYXSMBDR-NRSPTQNISA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982618727 720953895 /nfs/dbraw/zinc/95/38/95/720953895.db2.gz ZWYZFSAYXSMBDR-NRSPTQNISA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992017331 725465906 /nfs/dbraw/zinc/46/59/06/725465906.db2.gz ZNEWJOWSSNCGCC-NLWGTHIKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992017331 725465911 /nfs/dbraw/zinc/46/59/11/725465911.db2.gz ZNEWJOWSSNCGCC-NLWGTHIKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CCN1CC[C@@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992171902 725587187 /nfs/dbraw/zinc/58/71/87/725587187.db2.gz ZCYXUBPROCQXJC-CTNGQTDRSA-N 1 3 341.499 2.704 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057310 725948311 /nfs/dbraw/zinc/94/83/11/725948311.db2.gz VJWKYUNGFKSSHB-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948057310 725948314 /nfs/dbraw/zinc/94/83/14/725948314.db2.gz VJWKYUNGFKSSHB-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992694188 726115546 /nfs/dbraw/zinc/11/55/46/726115546.db2.gz RGPUSHSQQPQQGO-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992860595 726309953 /nfs/dbraw/zinc/30/99/53/726309953.db2.gz OANKJQYPWHEJLG-CEXWTWQISA-N 1 3 333.520 2.511 20 30 EFEDHO C(=NNCCN1CCCCC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000915973375 727644117 /nfs/dbraw/zinc/64/41/17/727644117.db2.gz GTVKWPMJINKPNV-UHFFFAOYSA-N 1 3 344.503 2.571 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC[N@H+]1C ZINC000916410624 727681941 /nfs/dbraw/zinc/68/19/41/727681941.db2.gz XDOQSBOOPYUYMM-MRXNPFEDSA-N 1 3 349.548 2.679 20 30 EFEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC[N@@H+]1C ZINC000916410624 727681942 /nfs/dbraw/zinc/68/19/42/727681942.db2.gz XDOQSBOOPYUYMM-MRXNPFEDSA-N 1 3 349.548 2.679 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947954 728304949 /nfs/dbraw/zinc/30/49/49/728304949.db2.gz JORYXVIEXTZOEO-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765611 728364443 /nfs/dbraw/zinc/36/44/43/728364443.db2.gz ABEYDTXPJJBEID-APWZRJJASA-N 1 3 339.499 2.698 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765611 728364445 /nfs/dbraw/zinc/36/44/45/728364445.db2.gz ABEYDTXPJJBEID-APWZRJJASA-N 1 3 339.499 2.698 20 30 EFEDHO COc1ccccc1CNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000170909620 728494412 /nfs/dbraw/zinc/49/44/12/728494412.db2.gz OQXNMELUQXLKGF-HNAYVOBHSA-N 1 3 332.492 2.610 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040849414 729093464 /nfs/dbraw/zinc/09/34/64/729093464.db2.gz QYRJBLPQKYQEJE-SFHVURJKSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(Cl)CN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000939815587 729147264 /nfs/dbraw/zinc/14/72/64/729147264.db2.gz JOZBWRNSZLDNCE-CXAGYDPISA-N 1 3 335.879 2.551 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001574902794 1088144274 /nfs/dbraw/zinc/14/42/74/1088144274.db2.gz GXUNIZWCIMHGMQ-RTBURBONSA-N 1 3 329.488 2.932 20 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C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448073 1092756203 /nfs/dbraw/zinc/75/62/03/1092756203.db2.gz NCWKKLDOJILZKH-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448073 1092756212 /nfs/dbraw/zinc/75/62/12/1092756212.db2.gz NCWKKLDOJILZKH-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454479 1093045316 /nfs/dbraw/zinc/04/53/16/1093045316.db2.gz VMFQAUZEEUSXJV-IEBWSBKVSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454479 1093045326 /nfs/dbraw/zinc/04/53/26/1093045326.db2.gz VMFQAUZEEUSXJV-IEBWSBKVSA-N 1 3 335.536 2.853 20 30 EFEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454276 1093046018 /nfs/dbraw/zinc/04/60/18/1093046018.db2.gz PEZVJEXEEKZXSJ-UYAOXDASSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454276 1093046025 /nfs/dbraw/zinc/04/60/25/1093046025.db2.gz PEZVJEXEEKZXSJ-UYAOXDASSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454312 1093047676 /nfs/dbraw/zinc/04/76/76/1093047676.db2.gz QJCHRIIOBBUFIW-UYAOXDASSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454312 1093047685 /nfs/dbraw/zinc/04/76/85/1093047685.db2.gz QJCHRIIOBBUFIW-UYAOXDASSA-N 1 3 347.547 2.691 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075458542 1093228957 /nfs/dbraw/zinc/22/89/57/1093228957.db2.gz JFYUSPUMSQQDBZ-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075458542 1093228961 /nfs/dbraw/zinc/22/89/61/1093228961.db2.gz JFYUSPUMSQQDBZ-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458444 1093229287 /nfs/dbraw/zinc/22/92/87/1093229287.db2.gz GBYUWCPAAYMGJH-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458444 1093229294 /nfs/dbraw/zinc/22/92/94/1093229294.db2.gz GBYUWCPAAYMGJH-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461865 1093333472 /nfs/dbraw/zinc/33/34/72/1093333472.db2.gz VCLDHXXGTDHDPL-LJQANCHMSA-N 1 3 347.547 2.999 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461865 1093333478 /nfs/dbraw/zinc/33/34/78/1093333478.db2.gz VCLDHXXGTDHDPL-LJQANCHMSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683606 1094629296 /nfs/dbraw/zinc/62/92/96/1094629296.db2.gz NHJMLMGUFXRRKB-QZTJIDSGSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529927 1094765487 /nfs/dbraw/zinc/76/54/87/1094765487.db2.gz VUJZONRLGMRXIN-HBFSDRIKSA-N 1 3 333.520 2.513 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087316933 1095303972 /nfs/dbraw/zinc/30/39/72/1095303972.db2.gz ZOEIWHIAHUGFQQ-ATZDWAIDSA-N 1 3 344.503 2.832 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087316933 1095303986 /nfs/dbraw/zinc/30/39/86/1095303986.db2.gz ZOEIWHIAHUGFQQ-ATZDWAIDSA-N 1 3 344.503 2.832 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC000981959071 1095790248 /nfs/dbraw/zinc/79/02/48/1095790248.db2.gz XVIUWFVPHUPDTJ-LJQANCHMSA-N 1 3 345.531 2.894 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC000981959071 1095790257 /nfs/dbraw/zinc/79/02/57/1095790257.db2.gz XVIUWFVPHUPDTJ-LJQANCHMSA-N 1 3 345.531 2.894 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1 ZINC001211713231 1096282395 /nfs/dbraw/zinc/28/23/95/1096282395.db2.gz CNSVHJNNYSRNKF-VQTJNVASSA-N 1 3 343.515 2.879 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524194 1099231574 /nfs/dbraw/zinc/23/15/74/1099231574.db2.gz AGBXIBZUTZKOPO-NSHGMRRFSA-N 1 3 335.536 2.757 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001167742507 1099481366 /nfs/dbraw/zinc/48/13/66/1099481366.db2.gz MSPWVOLONLYSAC-CVEARBPZSA-N 1 3 341.927 2.735 20 30 EFEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105058754 1099505187 /nfs/dbraw/zinc/50/51/87/1099505187.db2.gz WNRUNRRAVXJULK-VQIMIIECSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001105394454 1100417592 /nfs/dbraw/zinc/41/75/92/1100417592.db2.gz XEAWXURFDDNLFJ-SFHVURJKSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001105394454 1100417594 /nfs/dbraw/zinc/41/75/94/1100417594.db2.gz XEAWXURFDDNLFJ-SFHVURJKSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396643 1100586878 /nfs/dbraw/zinc/58/68/78/1100586878.db2.gz QZERNVRGBFRJQO-HXUWFJFHSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396643 1100586883 /nfs/dbraw/zinc/58/68/83/1100586883.db2.gz QZERNVRGBFRJQO-HXUWFJFHSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1CC ZINC001087671924 1100652976 /nfs/dbraw/zinc/65/29/76/1100652976.db2.gz WCJLTYHBQGQGBO-RBUKOAKNSA-N 1 3 329.488 2.559 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723904 1100701821 /nfs/dbraw/zinc/70/18/21/1100701821.db2.gz LUOPXRNRGGSIKS-FRQCXROJSA-N 1 3 339.499 2.744 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723904 1100701826 /nfs/dbraw/zinc/70/18/26/1100701826.db2.gz LUOPXRNRGGSIKS-FRQCXROJSA-N 1 3 339.499 2.744 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167642 1100747602 /nfs/dbraw/zinc/74/76/02/1100747602.db2.gz WMXKPUDGJNVDRT-ZIAGYGMSSA-N 1 3 349.441 2.519 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792205 1100775358 /nfs/dbraw/zinc/77/53/58/1100775358.db2.gz SDBDTRRXVZAFPU-IPMKNSEASA-N 1 3 333.520 2.633 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2CCCC)[C@H]1CC ZINC001087792205 1100775363 /nfs/dbraw/zinc/77/53/63/1100775363.db2.gz SDBDTRRXVZAFPU-IPMKNSEASA-N 1 3 333.520 2.633 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)[C@@H]2CC)CC1 ZINC001087840084 1100852971 /nfs/dbraw/zinc/85/29/71/1100852971.db2.gz GZMQYANZZYNSDJ-VQTJNVASSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H]2CC)CC1 ZINC001087840084 1100852977 /nfs/dbraw/zinc/85/29/77/1100852977.db2.gz GZMQYANZZYNSDJ-VQTJNVASSA-N 1 3 347.547 2.737 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179892 1102003796 /nfs/dbraw/zinc/00/37/96/1102003796.db2.gz UWWDRXNGASIIMJ-HNNXBMFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001088311851 1102842481 /nfs/dbraw/zinc/84/24/81/1102842481.db2.gz IKOXEJJUKFMQLD-IRXDYDNUSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311851 1102842497 /nfs/dbraw/zinc/84/24/97/1102842497.db2.gz IKOXEJJUKFMQLD-IRXDYDNUSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001088323581 1102914857 /nfs/dbraw/zinc/91/48/57/1102914857.db2.gz SUCVQAULYYBCNF-DLBZAZTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001088323581 1102914866 /nfs/dbraw/zinc/91/48/66/1102914866.db2.gz SUCVQAULYYBCNF-DLBZAZTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001088430470 1103578891 /nfs/dbraw/zinc/57/88/91/1103578891.db2.gz QQCKXSDDZWSIKU-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001105438374 1104098282 /nfs/dbraw/zinc/09/82/82/1104098282.db2.gz FWKWPKGEQBCEDL-IRFCIJBXSA-N 1 3 343.515 2.709 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428227 1104538960 /nfs/dbraw/zinc/53/89/60/1104538960.db2.gz XFEPWLAAQWWKMA-IRXDYDNUSA-N 1 3 335.536 2.948 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC[C@H](C)C2)cc1OC ZINC000264112532 1105598318 /nfs/dbraw/zinc/59/83/18/1105598318.db2.gz RHIXUUCJOGBTOC-UONOGXRCSA-N 1 3 334.464 2.551 20 30 EFEDHO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105564212 1105934184 /nfs/dbraw/zinc/93/41/84/1105934184.db2.gz XZDBNVMOSYWDDG-MOPGFXCFSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105564220 1105934417 /nfs/dbraw/zinc/93/44/17/1105934417.db2.gz XZDBNVMOSYWDDG-RBUKOAKNSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105563163 1105942231 /nfs/dbraw/zinc/94/22/31/1105942231.db2.gz GADLRHLQDUMRRJ-RBUKOAKNSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)CCC1 ZINC001105563314 1105942752 /nfs/dbraw/zinc/94/27/52/1105942752.db2.gz JRCVDIKKXUTYFQ-SFHVURJKSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566921 1105945169 /nfs/dbraw/zinc/94/51/69/1105945169.db2.gz ZFFIBOJLWONNBQ-KRWDZBQOSA-N 1 3 330.476 2.669 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001101036679 1108600656 /nfs/dbraw/zinc/60/06/56/1108600656.db2.gz YHBWWVAUFJLKRX-OFLPRAFFSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811900 1109099155 /nfs/dbraw/zinc/09/91/55/1109099155.db2.gz BHSVXKTYHMXCGX-NEWSRXKRSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811900 1109099160 /nfs/dbraw/zinc/09/91/60/1109099160.db2.gz BHSVXKTYHMXCGX-NEWSRXKRSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812189 1109104013 /nfs/dbraw/zinc/10/40/13/1109104013.db2.gz RAFGZGKHQFGQMV-NZSAHSFTSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]1C ZINC001088812189 1109104016 /nfs/dbraw/zinc/10/40/16/1109104016.db2.gz RAFGZGKHQFGQMV-NZSAHSFTSA-N 1 3 333.520 2.939 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673598 1111712271 /nfs/dbraw/zinc/71/22/71/1111712271.db2.gz IDUYERVJJZGCHU-KURKYZTESA-N 1 3 325.541 2.981 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729170 1111770782 /nfs/dbraw/zinc/77/07/82/1111770782.db2.gz LCJRVVXCECGEHA-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797277 1111846767 /nfs/dbraw/zinc/84/67/67/1111846767.db2.gz MARQQEHROGMMLX-GUDVDZBRSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106797276 1111846865 /nfs/dbraw/zinc/84/68/65/1111846865.db2.gz MARQQEHROGMMLX-CEXWTWQISA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413202 1112100235 /nfs/dbraw/zinc/10/02/35/1112100235.db2.gz BPNICVVAHHFIGM-BJLQDIEVSA-N 1 3 335.536 2.757 20 30 EFEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511252 1112255518 /nfs/dbraw/zinc/25/55/18/1112255518.db2.gz OYAGIMOWQAIVQB-OALUTQOASA-N 1 3 347.547 2.879 20 30 EFEDHO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511252 1112255521 /nfs/dbraw/zinc/25/55/21/1112255521.db2.gz OYAGIMOWQAIVQB-OALUTQOASA-N 1 3 347.547 2.879 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548758 1112294680 /nfs/dbraw/zinc/29/46/80/1112294680.db2.gz QDDLYRCQEDDLMJ-INIZCTEOSA-N 1 3 332.492 2.834 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548758 1112294681 /nfs/dbraw/zinc/29/46/81/1112294681.db2.gz QDDLYRCQEDDLMJ-INIZCTEOSA-N 1 3 332.492 2.834 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649141 1112464502 /nfs/dbraw/zinc/46/45/02/1112464502.db2.gz BZFGDQYOWQVSEQ-ZWKOTPCHSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649141 1112464503 /nfs/dbraw/zinc/46/45/03/1112464503.db2.gz BZFGDQYOWQVSEQ-ZWKOTPCHSA-N 1 3 335.536 2.757 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001089663658 1112607437 /nfs/dbraw/zinc/60/74/37/1112607437.db2.gz RSHRIMYXFOBJEJ-RBUKOAKNSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663658 1112607440 /nfs/dbraw/zinc/60/74/40/1112607440.db2.gz RSHRIMYXFOBJEJ-RBUKOAKNSA-N 1 3 347.547 2.737 20 30 EFEDHO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001089665142 1112619760 /nfs/dbraw/zinc/61/97/60/1112619760.db2.gz VHSZDDDEBXESPJ-QGZVFWFLSA-N 1 3 338.455 2.578 20 30 EFEDHO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001089665142 1112619763 /nfs/dbraw/zinc/61/97/63/1112619763.db2.gz VHSZDDDEBXESPJ-QGZVFWFLSA-N 1 3 338.455 2.578 20 30 EFEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089845167 1118241675 /nfs/dbraw/zinc/24/16/75/1118241675.db2.gz DCBUILSMDYTHBU-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089845167 1118241677 /nfs/dbraw/zinc/24/16/77/1118241677.db2.gz DCBUILSMDYTHBU-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCN1CCCCC1 ZINC001272716521 1118921232 /nfs/dbraw/zinc/92/12/32/1118921232.db2.gz GQSOJTNEWJSLNT-HXUWFJFHSA-N 1 3 346.519 2.623 20 30 EFEDHO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2CCCN1CCCCC1 ZINC001272716521 1118921234 /nfs/dbraw/zinc/92/12/34/1118921234.db2.gz GQSOJTNEWJSLNT-HXUWFJFHSA-N 1 3 346.519 2.623 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031156 1120522719 /nfs/dbraw/zinc/52/27/19/1120522719.db2.gz ZFTZAFGILOEEAM-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031156 1120522726 /nfs/dbraw/zinc/52/27/26/1120522726.db2.gz ZFTZAFGILOEEAM-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945089881 1120559811 /nfs/dbraw/zinc/55/98/11/1120559811.db2.gz IRJVJIJWIMNDJX-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945089881 1120559816 /nfs/dbraw/zinc/55/98/16/1120559816.db2.gz IRJVJIJWIMNDJX-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945089883 1120560159 /nfs/dbraw/zinc/56/01/59/1120560159.db2.gz IRJVJIJWIMNDJX-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945089883 1120560164 /nfs/dbraw/zinc/56/01/64/1120560164.db2.gz IRJVJIJWIMNDJX-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC000945183883 1120664007 /nfs/dbraw/zinc/66/40/07/1120664007.db2.gz UGTMHDQEBQHKAD-XLIONFOSSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC000945183883 1120664013 /nfs/dbraw/zinc/66/40/13/1120664013.db2.gz UGTMHDQEBQHKAD-XLIONFOSSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC000945183886 1120664042 /nfs/dbraw/zinc/66/40/42/1120664042.db2.gz UGTMHDQEBQHKAD-YLJYHZDGSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC000945183886 1120664043 /nfs/dbraw/zinc/66/40/43/1120664043.db2.gz UGTMHDQEBQHKAD-YLJYHZDGSA-N 1 3 347.547 2.594 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000174284710 529774252 /nfs/dbraw/zinc/77/42/52/529774252.db2.gz YGUGWAJPRGFLTC-UHFFFAOYSA-N 1 3 328.504 2.854 20 30 EFEDHO N#Cc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000180988303 234052624 /nfs/dbraw/zinc/05/26/24/234052624.db2.gz YQIHWQPGRAAXRB-OAQYLSRUSA-N 1 3 335.451 2.805 20 30 EFEDHO N#Cc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000180988303 234052626 /nfs/dbraw/zinc/05/26/26/234052626.db2.gz YQIHWQPGRAAXRB-OAQYLSRUSA-N 1 3 335.451 2.805 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCC[C@H]3CN)C2)c(F)c1 ZINC000422972900 283159814 /nfs/dbraw/zinc/15/98/14/283159814.db2.gz AVUJIUMBPKSWDX-BQFCYCMXSA-N 1 3 330.451 2.773 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H](N[C@H]3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000422972900 283159817 /nfs/dbraw/zinc/15/98/17/283159817.db2.gz AVUJIUMBPKSWDX-BQFCYCMXSA-N 1 3 330.451 2.773 20 30 EFEDHO CCO[C@@H]1C[C@@H](NC(NC2CCN(C3CC3)CC2)=[NH+]C)C12CCCC2 ZINC000262466442 240356866 /nfs/dbraw/zinc/35/68/66/240356866.db2.gz YINGMRYGUSXUTH-QZTJIDSGSA-N 1 3 348.535 2.516 20 30 EFEDHO CN(C)CC(C)(C)CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160596826 239054479 /nfs/dbraw/zinc/05/44/79/239054479.db2.gz LVWRLHFKMJTTIS-UHFFFAOYSA-N 1 3 332.370 2.900 20 30 EFEDHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OCCCC#N ZINC000237425912 240243069 /nfs/dbraw/zinc/24/30/69/240243069.db2.gz HFECVWQUSIXQOQ-QGZVFWFLSA-N 1 3 343.471 2.952 20 30 EFEDHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000361459953 242223793 /nfs/dbraw/zinc/22/37/93/242223793.db2.gz OOMPRLFGNVHSGA-PKOBYXMFSA-N 1 3 345.487 2.816 20 30 EFEDHO C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000433298577 248040564 /nfs/dbraw/zinc/04/05/64/248040564.db2.gz AHLODIAUMOZFBZ-HKUYNNGSSA-N 1 3 327.472 2.997 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000441350666 250021628 /nfs/dbraw/zinc/02/16/28/250021628.db2.gz CBECQLORRRHUOH-OAHLLOKOSA-N 1 3 334.489 2.755 20 30 EFEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000441350666 250021629 /nfs/dbraw/zinc/02/16/29/250021629.db2.gz CBECQLORRRHUOH-OAHLLOKOSA-N 1 3 334.489 2.755 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442709590 250105397 /nfs/dbraw/zinc/10/53/97/250105397.db2.gz OQZIASXRMOSJCO-YLJYHZDGSA-N 1 3 326.488 2.606 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896887 250137521 /nfs/dbraw/zinc/13/75/21/250137521.db2.gz LQCHKXDHUROJKD-UWVAXJGDSA-N 1 3 326.488 2.577 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000442896887 250137525 /nfs/dbraw/zinc/13/75/25/250137525.db2.gz LQCHKXDHUROJKD-UWVAXJGDSA-N 1 3 326.488 2.577 20 30 EFEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000268814897 252265569 /nfs/dbraw/zinc/26/55/69/252265569.db2.gz FULYOGXOWHQIOA-RDJZCZTQSA-N 1 3 338.879 2.925 20 30 EFEDHO CCOC(=O)C1([C@@H](C)N[C@H](CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000422999543 285664219 /nfs/dbraw/zinc/66/42/19/285664219.db2.gz SPKRJHUTJRFDSK-SJLPKXTDSA-N 1 3 343.471 2.942 20 30 EFEDHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172973 151126435 /nfs/dbraw/zinc/12/64/35/151126435.db2.gz LSAUEMCOFLZPST-ICSRJNTNSA-N 1 3 326.488 2.767 20 30 EFEDHO C=C(C)CN(CC)C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121892249 544599444 /nfs/dbraw/zinc/59/94/44/544599444.db2.gz BUTGFCIABZMCMB-UHFFFAOYSA-N 1 3 335.536 2.999 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966605 266149782 /nfs/dbraw/zinc/14/97/82/266149782.db2.gz VQSCWRRQPTYGSK-MRXNPFEDSA-N 1 3 332.467 2.766 20 30 EFEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211308 266155257 /nfs/dbraw/zinc/15/52/57/266155257.db2.gz WAJFNMSCJLJKDU-YJBOKZPZSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000354211308 266155259 /nfs/dbraw/zinc/15/52/59/266155259.db2.gz WAJFNMSCJLJKDU-YJBOKZPZSA-N 1 3 328.460 2.691 20 30 EFEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000348113003 267161659 /nfs/dbraw/zinc/16/16/59/267161659.db2.gz GQBKZGHTVZWWJR-MDZRGWNJSA-N 1 3 338.455 2.620 20 30 EFEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000348113003 267161663 /nfs/dbraw/zinc/16/16/63/267161663.db2.gz GQBKZGHTVZWWJR-MDZRGWNJSA-N 1 3 338.455 2.620 20 30 EFEDHO CC[C@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000515165033 267220496 /nfs/dbraw/zinc/22/04/96/267220496.db2.gz MNCLNIYUHGBOID-FOIPXRHGSA-N 1 3 328.460 2.763 20 30 EFEDHO CC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCCN1 ZINC000515165033 267220500 /nfs/dbraw/zinc/22/05/00/267220500.db2.gz MNCLNIYUHGBOID-FOIPXRHGSA-N 1 3 328.460 2.763 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000576911148 320059216 /nfs/dbraw/zinc/05/92/16/320059216.db2.gz IHWABEQNUWKZFB-RBBKRZOGSA-N 1 3 347.462 2.902 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000576911148 320059218 /nfs/dbraw/zinc/05/92/18/320059218.db2.gz IHWABEQNUWKZFB-RBBKRZOGSA-N 1 3 347.462 2.902 20 30 EFEDHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)NC1CCCCC1 ZINC000190536837 473311016 /nfs/dbraw/zinc/31/10/16/473311016.db2.gz DWAZMTPLBTXPRA-IBGZPJMESA-N 1 3 344.503 2.515 20 30 EFEDHO CN(C)CC(C)(C)CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000083029687 473314921 /nfs/dbraw/zinc/31/49/21/473314921.db2.gz SBAWPNPDGRFPHD-UHFFFAOYSA-N 1 3 330.398 2.698 20 30 EFEDHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072585191 472683240 /nfs/dbraw/zinc/68/32/40/472683240.db2.gz BUVBMIHJQWRBQH-UHFFFAOYSA-N 1 3 328.460 2.691 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(C)C2CC[NH+](CCC)CC2)CC1 ZINC000106340668 472842643 /nfs/dbraw/zinc/84/26/43/472842643.db2.gz QFKMZNXHWPLRBJ-UHFFFAOYSA-N 1 3 336.524 2.543 20 30 EFEDHO C[NH+](C)CCC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000109025623 473074405 /nfs/dbraw/zinc/07/44/05/473074405.db2.gz XYNUHUZIGDXEPB-UHFFFAOYSA-N 1 3 334.489 2.612 20 30 EFEDHO C=CC1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000111256998 473199840 /nfs/dbraw/zinc/19/98/40/473199840.db2.gz VIVZRRYYJYXWQT-PXNSSMCTSA-N 1 3 341.499 2.664 20 30 EFEDHO C=CC1CCN([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000111256998 473199844 /nfs/dbraw/zinc/19/98/44/473199844.db2.gz VIVZRRYYJYXWQT-PXNSSMCTSA-N 1 3 341.499 2.664 20 30 EFEDHO Cn1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000190910645 473426911 /nfs/dbraw/zinc/42/69/11/473426911.db2.gz ZBMAFZZGHDELHY-HNNXBMFYSA-N 1 3 328.485 2.960 20 30 EFEDHO Cn1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C#N ZINC000190910645 473426915 /nfs/dbraw/zinc/42/69/15/473426915.db2.gz ZBMAFZZGHDELHY-HNNXBMFYSA-N 1 3 328.485 2.960 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185782169 473512868 /nfs/dbraw/zinc/51/28/68/473512868.db2.gz QGBQXAMXPBUSCR-RTWAWAEBSA-N 1 3 340.515 2.996 20 30 EFEDHO C=C(C)CN1CCC([NH2+][C@H]2CCN(CCCOCC)C[C@H]2C)CC1 ZINC000152978650 473602327 /nfs/dbraw/zinc/60/23/27/473602327.db2.gz HCRYOXUFHNHZRY-QUCCMNQESA-N 1 3 337.552 2.754 20 30 EFEDHO COc1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1C#N ZINC000180275934 473843639 /nfs/dbraw/zinc/84/36/39/473843639.db2.gz ZHJFEOZCZAJNGZ-UHFFFAOYSA-N 1 3 336.439 2.968 20 30 EFEDHO CN(CC#Cc1ccc(Cl)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000180963310 473993268 /nfs/dbraw/zinc/99/32/68/473993268.db2.gz VABNLIPRYGTACF-UHFFFAOYSA-N 1 3 333.907 2.649 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000236656524 474277213 /nfs/dbraw/zinc/27/72/13/474277213.db2.gz WYEZIWUIQTWVAX-IPQPSQTFSA-N 1 3 333.520 2.722 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438594 474324060 /nfs/dbraw/zinc/32/40/60/474324060.db2.gz HWNWJUPYNNDOMH-HRAATJIYSA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438594 474324067 /nfs/dbraw/zinc/32/40/67/474324067.db2.gz HWNWJUPYNNDOMH-HRAATJIYSA-N 1 3 335.451 2.976 20 30 EFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000248945652 474488441 /nfs/dbraw/zinc/48/84/41/474488441.db2.gz DISSSYZJQNNITI-KXBFYZLASA-N 1 3 333.451 2.924 20 30 EFEDHO C[C@H]1CN(CCCNC(=[NH2+])Nc2cccc3c2CCCC3)CCCO1 ZINC000277196444 474579437 /nfs/dbraw/zinc/57/94/37/474579437.db2.gz DJIHTROSDLRIPB-INIZCTEOSA-N 1 3 344.503 2.793 20 30 EFEDHO CCCCCCNC(=[NH2+])NCc1ccccc1CN1CCC(O)CC1 ZINC000267458914 474672361 /nfs/dbraw/zinc/67/23/61/474672361.db2.gz UKOGFBFTGCIACS-UHFFFAOYSA-N 1 3 346.519 2.628 20 30 EFEDHO Cc1c(Cl)cnc(NC2CCN(C3CC[NH+](C)CC3)CC2)c1C#N ZINC000273354076 474856992 /nfs/dbraw/zinc/85/69/92/474856992.db2.gz PRCJGWMZBHPVDI-UHFFFAOYSA-N 1 3 347.894 2.886 20 30 EFEDHO C=CCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268398654 474957536 /nfs/dbraw/zinc/95/75/36/474957536.db2.gz BHPXQYVJJXBYSB-UHFFFAOYSA-N 1 3 348.487 2.585 20 30 EFEDHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279461743 474976435 /nfs/dbraw/zinc/97/64/35/474976435.db2.gz GTSMOXLEVLHLNK-VQIMIIECSA-N 1 3 340.471 2.867 20 30 EFEDHO CC(C)[NH+]1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279705178 474986976 /nfs/dbraw/zinc/98/69/76/474986976.db2.gz KCSPNMCHLLIJIB-SFHVURJKSA-N 1 3 338.455 2.572 20 30 EFEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285953947 475048404 /nfs/dbraw/zinc/04/84/04/475048404.db2.gz GHVAUZBNYDEYKT-CQSZACIVSA-N 1 3 329.444 2.709 20 30 EFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281888 475058982 /nfs/dbraw/zinc/05/89/82/475058982.db2.gz VUNVYGVMSDWOCY-AZUAARDMSA-N 1 3 326.488 2.989 20 30 EFEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268967154 475101388 /nfs/dbraw/zinc/10/13/88/475101388.db2.gz HJJBLQWZTWOTRV-HNNXBMFYSA-N 1 3 338.879 2.925 20 30 EFEDHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000361459951 475464864 /nfs/dbraw/zinc/46/48/64/475464864.db2.gz OOMPRLFGNVHSGA-IEBWSBKVSA-N 1 3 345.487 2.816 20 30 EFEDHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000347011103 476030621 /nfs/dbraw/zinc/03/06/21/476030621.db2.gz IVENKFAQFMHVTL-INIZCTEOSA-N 1 3 344.503 2.615 20 30 EFEDHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(C#N)cc1 ZINC000373172974 476380535 /nfs/dbraw/zinc/38/05/35/476380535.db2.gz LSAUEMCOFLZPST-QUCCMNQESA-N 1 3 326.488 2.767 20 30 EFEDHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000351488729 476474598 /nfs/dbraw/zinc/47/45/98/476474598.db2.gz AURRKARKMVVFLD-APWZRJJASA-N 1 3 338.455 2.621 20 30 EFEDHO C=CCOc1cccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000415122266 476908565 /nfs/dbraw/zinc/90/85/65/476908565.db2.gz JRXARCUTZJBMTE-AZUAARDMSA-N 1 3 330.472 2.970 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431034469 476965853 /nfs/dbraw/zinc/96/58/53/476965853.db2.gz WZBWMXQFMAYOMT-INIZCTEOSA-N 1 3 347.528 2.727 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415909867 476967384 /nfs/dbraw/zinc/96/73/84/476967384.db2.gz UJRHQGMPQKSTIM-UHFFFAOYSA-N 1 3 330.476 2.958 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416147182 477039839 /nfs/dbraw/zinc/03/98/39/477039839.db2.gz AEYLNWYWXVWYGW-IBGZPJMESA-N 1 3 329.488 2.836 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000366718935 477150014 /nfs/dbraw/zinc/15/00/14/477150014.db2.gz DEBHNRBUNGZUCY-LJQANCHMSA-N 1 3 348.535 2.733 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366718935 477150020 /nfs/dbraw/zinc/15/00/20/477150020.db2.gz DEBHNRBUNGZUCY-LJQANCHMSA-N 1 3 348.535 2.733 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424132547 477303153 /nfs/dbraw/zinc/30/31/53/477303153.db2.gz KWPJQZXEXQVTIW-LPHOPBHVSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424132547 477303159 /nfs/dbraw/zinc/30/31/59/477303159.db2.gz KWPJQZXEXQVTIW-LPHOPBHVSA-N 1 3 342.487 2.698 20 30 EFEDHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)CCCC#N)CCCC1)c1ccccc1 ZINC000424149881 477309632 /nfs/dbraw/zinc/30/96/32/477309632.db2.gz XSTIHVGSVOLMBC-SJLPKXTDSA-N 1 3 342.487 2.787 20 30 EFEDHO N#CCCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000424156666 477311429 /nfs/dbraw/zinc/31/14/29/477311429.db2.gz ONLFMYCIORIFHF-LJQANCHMSA-N 1 3 342.487 2.700 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340485 477709733 /nfs/dbraw/zinc/70/97/33/477709733.db2.gz PMZXWMWTQVKRGJ-ZACQAIPSSA-N 1 3 347.528 2.583 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC000420981065 477875770 /nfs/dbraw/zinc/87/57/70/477875770.db2.gz MNCDCBSKZRRHKL-UHFFFAOYSA-N 1 3 344.478 2.689 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000420984871 477877688 /nfs/dbraw/zinc/87/76/88/477877688.db2.gz UZGWRNIZLNZYFC-UHFFFAOYSA-N 1 3 326.488 2.550 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488838805 478190305 /nfs/dbraw/zinc/19/03/05/478190305.db2.gz DXMXQIUKFMQFGH-QGZVFWFLSA-N 1 3 348.535 2.543 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000488838805 478190308 /nfs/dbraw/zinc/19/03/08/478190308.db2.gz DXMXQIUKFMQFGH-QGZVFWFLSA-N 1 3 348.535 2.543 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000570257289 478319274 /nfs/dbraw/zinc/31/92/74/478319274.db2.gz KWCQXNOENVSDNI-QGZVFWFLSA-N 1 3 325.456 2.892 20 30 EFEDHO C=CC1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000580656088 478365929 /nfs/dbraw/zinc/36/59/29/478365929.db2.gz HRRYDZDKXPZTQR-UHFFFAOYSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000562988657 478404122 /nfs/dbraw/zinc/40/41/22/478404122.db2.gz AECONDRSTCNBAN-GBESFXJTSA-N 1 3 332.488 2.617 20 30 EFEDHO CC1(C#N)CCC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000570912639 478477756 /nfs/dbraw/zinc/47/77/56/478477756.db2.gz BIIKIVTZXUDUKL-GPJFCIFZSA-N 1 3 327.472 2.815 20 30 EFEDHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)cc1Cl ZINC000582040237 478494928 /nfs/dbraw/zinc/49/49/28/478494928.db2.gz MHQDGMFBIFEWSO-OAHLLOKOSA-N 1 3 334.895 2.890 20 30 EFEDHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)CC(C)(C)C#N ZINC000598599263 478920331 /nfs/dbraw/zinc/92/03/31/478920331.db2.gz IOJRLMDLCTXXCB-LJQANCHMSA-N 1 3 344.503 2.921 20 30 EFEDHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)CC(C)(C)C#N ZINC000598599263 478920340 /nfs/dbraw/zinc/92/03/40/478920340.db2.gz IOJRLMDLCTXXCB-LJQANCHMSA-N 1 3 344.503 2.921 20 30 EFEDHO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]C1 ZINC000584166908 479036722 /nfs/dbraw/zinc/03/67/22/479036722.db2.gz PGVPSEHRDZWCQY-USXIJHARSA-N 1 3 330.451 2.644 20 30 EFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000602515913 479377535 /nfs/dbraw/zinc/37/75/35/479377535.db2.gz DUZOMRKTLKQKMQ-KRWDZBQOSA-N 1 3 345.487 2.816 20 30 EFEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000602594803 479415284 /nfs/dbraw/zinc/41/52/84/479415284.db2.gz TYZCEYMSTQJCJS-KRWDZBQOSA-N 1 3 342.487 2.542 20 30 EFEDHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000602694801 479481077 /nfs/dbraw/zinc/48/10/77/479481077.db2.gz JWWCGTLYMVDDGB-LJQANCHMSA-N 1 3 327.472 2.761 20 30 EFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000615094045 479598624 /nfs/dbraw/zinc/59/86/24/479598624.db2.gz XTDPRNSQAOJVQO-CXUOOODFSA-N 1 3 340.471 2.860 20 30 EFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000615094048 479599403 /nfs/dbraw/zinc/59/94/03/479599403.db2.gz XTDPRNSQAOJVQO-IAFLDTSXSA-N 1 3 340.471 2.860 20 30 EFEDHO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641759882 481055535 /nfs/dbraw/zinc/05/55/35/481055535.db2.gz JYDOVROUTDLPEF-SFHVURJKSA-N 1 3 331.504 2.634 20 30 EFEDHO C=CCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCC1 ZINC000661852483 481363691 /nfs/dbraw/zinc/36/36/91/481363691.db2.gz WNMYJHDRLQOCDR-SFHVURJKSA-N 1 3 329.488 2.884 20 30 EFEDHO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCCC1 ZINC000181534874 524482693 /nfs/dbraw/zinc/48/26/93/524482693.db2.gz RTQQTARAIMTCOD-GOSISDBHSA-N 1 3 340.515 2.844 20 30 EFEDHO C=CCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000414798898 534882589 /nfs/dbraw/zinc/88/25/89/534882589.db2.gz ZQWXSNJRUBADQY-XLIONFOSSA-N 1 3 346.471 2.588 20 30 EFEDHO C=CCN1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000171708019 526433293 /nfs/dbraw/zinc/43/32/93/526433293.db2.gz QYVPDKPIACOZQR-GOSISDBHSA-N 1 3 338.540 2.693 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040949 527645906 /nfs/dbraw/zinc/64/59/06/527645906.db2.gz VJMANZKCGBTOBI-MOPGFXCFSA-N 1 3 348.535 2.565 20 30 EFEDHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000264253164 535152224 /nfs/dbraw/zinc/15/22/24/535152224.db2.gz YHNYQHQQQNTACK-UHFFFAOYSA-N 1 3 328.460 2.691 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262531487 535548827 /nfs/dbraw/zinc/54/88/27/535548827.db2.gz NUTUNYUSVXMYMV-LALPHHSUSA-N 1 3 338.858 2.724 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262808526 535597910 /nfs/dbraw/zinc/59/79/10/535597910.db2.gz NUTUNYUSVXMYMV-YWPYICTPSA-N 1 3 338.858 2.724 20 30 EFEDHO CN1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000247005107 536362023 /nfs/dbraw/zinc/36/20/23/536362023.db2.gz KYTCRJVSDXHVKG-BBRMVZONSA-N 1 3 329.473 2.953 20 30 EFEDHO C=C(CN(C)C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000764146979 576436534 /nfs/dbraw/zinc/43/65/34/576436534.db2.gz SCDAIDWXIKAAMW-UHFFFAOYSA-N 1 3 329.488 2.653 20 30 EFEDHO C#CCOc1ccc(CN2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000769514270 577368802 /nfs/dbraw/zinc/36/88/02/577368802.db2.gz IIYMSVATQHYDGB-FQEVSTJZSA-N 1 3 330.472 2.631 20 30 EFEDHO C#CCOc1ccccc1C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000772987964 581385903 /nfs/dbraw/zinc/38/59/03/581385903.db2.gz NHFXAESTABGGPV-QUCCMNQESA-N 1 3 344.499 2.925 20 30 EFEDHO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001752508316 1249750782 /nfs/dbraw/zinc/75/07/82/1249750782.db2.gz QRDGZHKJNJGIHP-ZWKOTPCHSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001752508316 1249750794 /nfs/dbraw/zinc/75/07/94/1249750794.db2.gz QRDGZHKJNJGIHP-ZWKOTPCHSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753549234 1249828241 /nfs/dbraw/zinc/82/82/41/1249828241.db2.gz YZOWAGMMMNKVJS-SJORKVTESA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753549234 1249828254 /nfs/dbraw/zinc/82/82/54/1249828254.db2.gz YZOWAGMMMNKVJS-SJORKVTESA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001089685867 1252171899 /nfs/dbraw/zinc/17/18/99/1252171899.db2.gz GEKZKTZHLXALLG-BZSNNMDCSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089685867 1252171906 /nfs/dbraw/zinc/17/19/06/1252171906.db2.gz GEKZKTZHLXALLG-BZSNNMDCSA-N 1 3 335.536 2.900 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(=C)C)CC1 ZINC001089735535 1252340780 /nfs/dbraw/zinc/34/07/80/1252340780.db2.gz MZRSDPUIGKNIAX-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(=C)C)CC1 ZINC001089735535 1252340784 /nfs/dbraw/zinc/34/07/84/1252340784.db2.gz MZRSDPUIGKNIAX-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444663 1255835326 /nfs/dbraw/zinc/83/53/26/1255835326.db2.gz UHUXOECIUSXULC-WSTZPKSXSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444663 1255835340 /nfs/dbraw/zinc/83/53/40/1255835340.db2.gz UHUXOECIUSXULC-WSTZPKSXSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485217 1255952811 /nfs/dbraw/zinc/95/28/11/1255952811.db2.gz PIOHGNJFNLAXBA-SVFBPWRDSA-N 1 3 345.531 2.798 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485217 1255952816 /nfs/dbraw/zinc/95/28/16/1255952816.db2.gz PIOHGNJFNLAXBA-SVFBPWRDSA-N 1 3 345.531 2.798 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534043 1256070536 /nfs/dbraw/zinc/07/05/36/1256070536.db2.gz UHUXOECIUSXULC-QWFCFKBJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107534043 1256070540 /nfs/dbraw/zinc/07/05/40/1256070540.db2.gz UHUXOECIUSXULC-QWFCFKBJSA-N 1 3 335.536 2.900 20 30 EFEDHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001168596033 1258383836 /nfs/dbraw/zinc/38/38/36/1258383836.db2.gz QTZLYBQRNKZBGR-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998005818 1258935944 /nfs/dbraw/zinc/93/59/44/1258935944.db2.gz RRDVMSRUJDLPTE-OALUTQOASA-N 1 3 333.520 2.586 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998005818 1258935946 /nfs/dbraw/zinc/93/59/46/1258935946.db2.gz RRDVMSRUJDLPTE-OALUTQOASA-N 1 3 333.520 2.586 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000708530662 1259763770 /nfs/dbraw/zinc/76/37/70/1259763770.db2.gz UPBKKVIABGURSH-VOQZNFBZSA-N 1 3 349.478 2.949 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000708530662 1259763777 /nfs/dbraw/zinc/76/37/77/1259763777.db2.gz UPBKKVIABGURSH-VOQZNFBZSA-N 1 3 349.478 2.949 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000998901203 1260071863 /nfs/dbraw/zinc/07/18/63/1260071863.db2.gz KQUDWEHYNPLQLQ-BDVYOWHSSA-N 1 3 339.911 2.725 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998901203 1260071875 /nfs/dbraw/zinc/07/18/75/1260071875.db2.gz KQUDWEHYNPLQLQ-BDVYOWHSSA-N 1 3 339.911 2.725 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000999877528 1260966149 /nfs/dbraw/zinc/96/61/49/1260966149.db2.gz KUCPLJNXISAEAC-UHFFFAOYSA-N 1 3 335.879 2.693 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626168 1262074103 /nfs/dbraw/zinc/07/41/03/1262074103.db2.gz LWQJOTHUDMVBLS-IRXDYDNUSA-N 1 3 333.520 2.844 20 30 EFEDHO C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819061 1262362651 /nfs/dbraw/zinc/36/26/51/1262362651.db2.gz IDHZTMXBJKVNEL-MSOLQXFVSA-N 1 3 327.472 2.565 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819416 1262362780 /nfs/dbraw/zinc/36/27/80/1262362780.db2.gz NAZFDFODXPQTNX-RTBURBONSA-N 1 3 341.499 2.955 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406155 1263916265 /nfs/dbraw/zinc/91/62/65/1263916265.db2.gz HWAGXDJVWXMQEE-BHIYHBOVSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406155 1263916266 /nfs/dbraw/zinc/91/62/66/1263916266.db2.gz HWAGXDJVWXMQEE-BHIYHBOVSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958153 1264763530 /nfs/dbraw/zinc/76/35/30/1264763530.db2.gz NUYRMOKUAHMTML-NEWSRXKRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958153 1264763540 /nfs/dbraw/zinc/76/35/40/1264763540.db2.gz NUYRMOKUAHMTML-NEWSRXKRSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014545 1264928045 /nfs/dbraw/zinc/92/80/45/1264928045.db2.gz LSFALCANLDLCBI-RLLQIKCJSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014545 1264928052 /nfs/dbraw/zinc/92/80/52/1264928052.db2.gz LSFALCANLDLCBI-RLLQIKCJSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004377027 1266824851 /nfs/dbraw/zinc/82/48/51/1266824851.db2.gz XTOXGOSLLGVJTL-RBUKOAKNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004377027 1266824862 /nfs/dbraw/zinc/82/48/62/1266824862.db2.gz XTOXGOSLLGVJTL-RBUKOAKNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454867 1267080610 /nfs/dbraw/zinc/08/06/10/1267080610.db2.gz APRCZQQLDIUKGO-IBGZPJMESA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454867 1267080619 /nfs/dbraw/zinc/08/06/19/1267080619.db2.gz APRCZQQLDIUKGO-IBGZPJMESA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004456275 1267083437 /nfs/dbraw/zinc/08/34/37/1267083437.db2.gz CVIANYSKJVBILL-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004456275 1267083445 /nfs/dbraw/zinc/08/34/45/1267083445.db2.gz CVIANYSKJVBILL-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540521 1267253570 /nfs/dbraw/zinc/25/35/70/1267253570.db2.gz RJWLVSHZTZMRKF-RTBURBONSA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540521 1267253577 /nfs/dbraw/zinc/25/35/77/1267253577.db2.gz RJWLVSHZTZMRKF-RTBURBONSA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547667 1267270329 /nfs/dbraw/zinc/27/03/29/1267270329.db2.gz PBFIPEROJNYEGY-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547667 1267270341 /nfs/dbraw/zinc/27/03/41/1267270341.db2.gz PBFIPEROJNYEGY-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539356 1267278665 /nfs/dbraw/zinc/27/86/65/1267278665.db2.gz DLUBKQOHARFHFF-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539356 1267278672 /nfs/dbraw/zinc/27/86/72/1267278672.db2.gz DLUBKQOHARFHFF-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586944 1267344506 /nfs/dbraw/zinc/34/45/06/1267344506.db2.gz WKMRIWFFCPVRQF-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004586944 1267344516 /nfs/dbraw/zinc/34/45/16/1267344516.db2.gz WKMRIWFFCPVRQF-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742292 1268392533 /nfs/dbraw/zinc/39/25/33/1268392533.db2.gz NHMXUTDPZAGVMU-SFHVURJKSA-N 1 3 329.488 2.513 20 30 EFEDHO C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033419501 1269122454 /nfs/dbraw/zinc/12/24/54/1269122454.db2.gz ACNHISDHGLJLLO-LJQANCHMSA-N 1 3 329.488 2.513 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984607 1269409952 /nfs/dbraw/zinc/40/99/52/1269409952.db2.gz IQUNHMJQPKCBTP-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984607 1269409955 /nfs/dbraw/zinc/40/99/55/1269409955.db2.gz IQUNHMJQPKCBTP-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001005395124 1270333341 /nfs/dbraw/zinc/33/33/41/1270333341.db2.gz HWUCMFASTILUEP-QGZVFWFLSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001005395124 1270333351 /nfs/dbraw/zinc/33/33/51/1270333351.db2.gz HWUCMFASTILUEP-QGZVFWFLSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086387467 1271246116 /nfs/dbraw/zinc/24/61/16/1271246116.db2.gz GAZFDHMUWWDXRM-BFYDXBDKSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387467 1271246126 /nfs/dbraw/zinc/24/61/26/1271246126.db2.gz GAZFDHMUWWDXRM-BFYDXBDKSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331612 1271675725 /nfs/dbraw/zinc/67/57/25/1271675725.db2.gz UGJBUGYCDHORTK-OALUTQOASA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034331612 1271675739 /nfs/dbraw/zinc/67/57/39/1271675739.db2.gz UGJBUGYCDHORTK-OALUTQOASA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034332554 1271678675 /nfs/dbraw/zinc/67/86/75/1271678675.db2.gz ZRQQVCLTVFAHMR-SFHVURJKSA-N 1 3 329.488 2.561 20 30 EFEDHO C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404569 1271908879 /nfs/dbraw/zinc/90/88/79/1271908879.db2.gz KLKUNIKLCOLUQZ-FQEVSTJZSA-N 1 3 343.515 2.951 20 30 EFEDHO C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034479691 1272082142 /nfs/dbraw/zinc/08/21/42/1272082142.db2.gz APLOXTRDZXEVNM-RTBURBONSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)C1 ZINC001034479691 1272082153 /nfs/dbraw/zinc/08/21/53/1272082153.db2.gz APLOXTRDZXEVNM-RTBURBONSA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538110 1272240801 /nfs/dbraw/zinc/24/08/01/1272240801.db2.gz QJEANUYRIIMIJF-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538110 1272240808 /nfs/dbraw/zinc/24/08/08/1272240808.db2.gz QJEANUYRIIMIJF-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543765 1272257852 /nfs/dbraw/zinc/25/78/52/1272257852.db2.gz JMBFUECSUVQHOW-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034543765 1272257858 /nfs/dbraw/zinc/25/78/58/1272257858.db2.gz JMBFUECSUVQHOW-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2CC1(C[NH+](C)C)CCCC1 ZINC001273136284 1272534211 /nfs/dbraw/zinc/53/42/11/1272534211.db2.gz KTGZBRQYYZFXRZ-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C[NH+]1CCC(CN2CCN(Cc3c(Cl)cccc3C#N)CC2)CC1 ZINC001143731940 1278722166 /nfs/dbraw/zinc/72/21/66/1278722166.db2.gz IUYBONZMWBRWFF-UHFFFAOYSA-N 1 3 346.906 2.671 20 30 EFEDHO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139420 1272698634 /nfs/dbraw/zinc/69/86/34/1272698634.db2.gz MNRLUHXBAOPFFY-SWBPCFCJSA-N 1 3 334.504 2.685 20 30 EFEDHO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001169139420 1272698648 /nfs/dbraw/zinc/69/86/48/1272698648.db2.gz MNRLUHXBAOPFFY-SWBPCFCJSA-N 1 3 334.504 2.685 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732462 1272755895 /nfs/dbraw/zinc/75/58/95/1272755895.db2.gz BIFQKJCVQGVTAJ-BXWFABGCSA-N 1 3 339.499 2.792 20 30 EFEDHO C=C(C)CNC(=O)[C@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273137303 1272971653 /nfs/dbraw/zinc/97/16/53/1272971653.db2.gz QPYDWBJUEIMDNX-GOSISDBHSA-N 1 3 347.547 2.903 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001034796532 1272989947 /nfs/dbraw/zinc/98/99/47/1272989947.db2.gz IEWZKYKSTDMMLI-JYJNAYRXSA-N 1 3 327.900 2.630 20 30 EFEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765299 1273468983 /nfs/dbraw/zinc/46/89/83/1273468983.db2.gz MSKLXQLDCMXIBW-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001108830357 1273522180 /nfs/dbraw/zinc/52/21/80/1273522180.db2.gz KQCOUSVFVMNUOI-WDSOQIARSA-N 1 3 341.499 2.907 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035226988 1273847266 /nfs/dbraw/zinc/84/72/66/1273847266.db2.gz MDLQGHAIJYLDQS-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035226988 1273847275 /nfs/dbraw/zinc/84/72/75/1273847275.db2.gz MDLQGHAIJYLDQS-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035260270 1273955834 /nfs/dbraw/zinc/95/58/34/1273955834.db2.gz SWHCAKURBYZVPV-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035260270 1273955842 /nfs/dbraw/zinc/95/58/42/1273955842.db2.gz SWHCAKURBYZVPV-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001109474518 1274315942 /nfs/dbraw/zinc/31/59/42/1274315942.db2.gz YDSDBFOLOXQOCB-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001109474518 1274315952 /nfs/dbraw/zinc/31/59/52/1274315952.db2.gz YDSDBFOLOXQOCB-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035719804 1274405044 /nfs/dbraw/zinc/40/50/44/1274405044.db2.gz AYZSUOFODUJYOQ-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035719804 1274405049 /nfs/dbraw/zinc/40/50/49/1274405049.db2.gz AYZSUOFODUJYOQ-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555413 1274424581 /nfs/dbraw/zinc/42/45/81/1274424581.db2.gz POMRYKUGXWSRQW-YDZRNGNQSA-N 1 3 331.504 2.549 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555413 1274424586 /nfs/dbraw/zinc/42/45/86/1274424586.db2.gz POMRYKUGXWSRQW-YDZRNGNQSA-N 1 3 331.504 2.549 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035826204 1274522622 /nfs/dbraw/zinc/52/26/22/1274522622.db2.gz LJXMHVUPWHJPEG-UHFFFAOYSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858565 1274608886 /nfs/dbraw/zinc/60/88/86/1274608886.db2.gz VWUKTTXFNVRAHQ-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035858072 1274609876 /nfs/dbraw/zinc/60/98/76/1274609876.db2.gz GBLHCZJZCOHLKD-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135996775 1276287380 /nfs/dbraw/zinc/28/73/80/1276287380.db2.gz VQLOWZZSPLNNPJ-IAGOWNOFSA-N 1 3 344.503 2.663 20 30 EFEDHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001135996775 1276287381 /nfs/dbraw/zinc/28/73/81/1276287381.db2.gz VQLOWZZSPLNNPJ-IAGOWNOFSA-N 1 3 344.503 2.663 20 30 EFEDHO N#CCOc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000817919994 1276378340 /nfs/dbraw/zinc/37/83/40/1276378340.db2.gz YCLIZKMDQCXFNS-FPOVZHCZSA-N 1 3 349.434 2.934 20 30 EFEDHO N#Cc1ccc([C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000818943074 1276555115 /nfs/dbraw/zinc/55/51/15/1276555115.db2.gz OXBDLVWIBYWNAF-NRFANRHFSA-N 1 3 335.451 2.977 20 30 EFEDHO C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001174961800 1287270023 /nfs/dbraw/zinc/27/00/23/1287270023.db2.gz OVDOCMPNWIEMFU-KRWDZBQOSA-N 1 3 344.503 2.665 20 30 EFEDHO C[C@H](CCCCNCc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001174961801 1287270085 /nfs/dbraw/zinc/27/00/85/1287270085.db2.gz OVDOCMPNWIEMFU-QGZVFWFLSA-N 1 3 344.503 2.665 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086841993 1277462289 /nfs/dbraw/zinc/46/22/89/1277462289.db2.gz INHIUHMJESLTEH-DOTOQJQBSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000791299720 1278020228 /nfs/dbraw/zinc/02/02/28/1278020228.db2.gz SOJZRLOEGCAUFD-INIZCTEOSA-N 1 3 335.517 2.755 20 30 EFEDHO C#Cc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001144569628 1279850457 /nfs/dbraw/zinc/85/04/57/1279850457.db2.gz VEIFHVNZQJDFKS-FGZHOGPDSA-N 1 3 338.495 2.848 20 30 EFEDHO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001144569628 1279850469 /nfs/dbraw/zinc/85/04/69/1279850469.db2.gz VEIFHVNZQJDFKS-FGZHOGPDSA-N 1 3 338.495 2.848 20 30 EFEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262422 1280066292 /nfs/dbraw/zinc/06/62/92/1280066292.db2.gz DCSNPJTWJFQKIW-ZSYWTGECSA-N 1 3 333.520 2.652 20 30 EFEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)C ZINC001114262422 1280066299 /nfs/dbraw/zinc/06/62/99/1280066299.db2.gz DCSNPJTWJFQKIW-ZSYWTGECSA-N 1 3 333.520 2.652 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001091377699 1280457274 /nfs/dbraw/zinc/45/72/74/1280457274.db2.gz UOTGTFADXHWZMM-UHFFFAOYSA-N 1 3 335.879 2.599 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608694 1280950847 /nfs/dbraw/zinc/95/08/47/1280950847.db2.gz ASCHSNMHQOSFMI-DLBZAZTESA-N 1 3 347.547 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001146614627 1280952267 /nfs/dbraw/zinc/95/22/67/1280952267.db2.gz ZCMDHHYISXPTII-QZTJIDSGSA-N 1 3 347.547 2.785 20 30 EFEDHO N#Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ccn1 ZINC001170528781 1281368837 /nfs/dbraw/zinc/36/88/37/1281368837.db2.gz VVUZFNJTQPOWJP-UHFFFAOYSA-N 1 3 345.450 2.863 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285417 1281494567 /nfs/dbraw/zinc/49/45/67/1281494567.db2.gz RACLUCUDAWXKEL-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285417 1281494571 /nfs/dbraw/zinc/49/45/71/1281494571.db2.gz RACLUCUDAWXKEL-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086910361 1281913047 /nfs/dbraw/zinc/91/30/47/1281913047.db2.gz RQJLFXRMVIIYMF-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942391 1281971934 /nfs/dbraw/zinc/97/19/34/1281971934.db2.gz PQUBENDNOBEBQI-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942158 1281972473 /nfs/dbraw/zinc/97/24/73/1281972473.db2.gz KIIKALBKWJOMSO-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942160 1281972731 /nfs/dbraw/zinc/97/27/31/1281972731.db2.gz KIIKALBKWJOMSO-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519517 1283782485 /nfs/dbraw/zinc/78/24/85/1283782485.db2.gz ZYRIGRWNDJBUKQ-ICSRJNTNSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519517 1283782490 /nfs/dbraw/zinc/78/24/90/1283782490.db2.gz ZYRIGRWNDJBUKQ-ICSRJNTNSA-N 1 3 347.547 2.881 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361541 1283784194 /nfs/dbraw/zinc/78/41/94/1283784194.db2.gz LPWXWOZHGXZKQG-RTBURBONSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361541 1283784204 /nfs/dbraw/zinc/78/42/04/1283784204.db2.gz LPWXWOZHGXZKQG-RTBURBONSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371197 1283805461 /nfs/dbraw/zinc/80/54/61/1283805461.db2.gz LUUGOMDEGHQJFQ-RTBURBONSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371197 1283805473 /nfs/dbraw/zinc/80/54/73/1283805473.db2.gz LUUGOMDEGHQJFQ-RTBURBONSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820874 1284060450 /nfs/dbraw/zinc/06/04/50/1284060450.db2.gz QDJDZZHRORZVBT-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820874 1284060458 /nfs/dbraw/zinc/06/04/58/1284060458.db2.gz QDJDZZHRORZVBT-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036854184 1284329665 /nfs/dbraw/zinc/32/96/65/1284329665.db2.gz HNQUTXORERSIAI-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036854184 1284329671 /nfs/dbraw/zinc/32/96/71/1284329671.db2.gz HNQUTXORERSIAI-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132932645 1284484918 /nfs/dbraw/zinc/48/49/18/1284484918.db2.gz KOWNKXLUWVOPAK-HIFRSBDPSA-N 1 3 329.916 2.543 20 30 EFEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CC[C@@H]1C ZINC001133185465 1284950416 /nfs/dbraw/zinc/95/04/16/1284950416.db2.gz DJOBOHXDTRFQAQ-RBUKOAKNSA-N 1 3 335.536 2.596 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194934 1284973108 /nfs/dbraw/zinc/97/31/08/1284973108.db2.gz NEMNJMLTFCMRQO-NVXWUHKLSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094429885 1285072065 /nfs/dbraw/zinc/07/20/65/1285072065.db2.gz AAPQGCQWXZWPNI-QWFCFKBJSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094429885 1285072071 /nfs/dbraw/zinc/07/20/71/1285072071.db2.gz AAPQGCQWXZWPNI-QWFCFKBJSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529390 1285256877 /nfs/dbraw/zinc/25/68/77/1285256877.db2.gz QRNUEERHSPTBEY-SFHLNBCPSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529390 1285256888 /nfs/dbraw/zinc/25/68/88/1285256888.db2.gz QRNUEERHSPTBEY-SFHLNBCPSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCC[NH+](C)C ZINC001133405690 1285360173 /nfs/dbraw/zinc/36/01/73/1285360173.db2.gz LMKGVXYSQYQEEM-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902695 1285381769 /nfs/dbraw/zinc/38/17/69/1285381769.db2.gz OCPIGHYPOXJZPE-PMACEKPBSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902695 1285381777 /nfs/dbraw/zinc/38/17/77/1285381777.db2.gz OCPIGHYPOXJZPE-PMACEKPBSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902616 1285382572 /nfs/dbraw/zinc/38/25/72/1285382572.db2.gz NAUKXXXOKZTSEQ-UXHICEINSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902616 1285382579 /nfs/dbraw/zinc/38/25/79/1285382579.db2.gz NAUKXXXOKZTSEQ-UXHICEINSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161798 1285506490 /nfs/dbraw/zinc/50/64/90/1285506490.db2.gz UBOCUKXRPAXMSH-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161798 1285506498 /nfs/dbraw/zinc/50/64/98/1285506498.db2.gz UBOCUKXRPAXMSH-YDZRNGNQSA-N 1 3 333.520 2.795 20 30 EFEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001172299929 1286111137 /nfs/dbraw/zinc/11/11/37/1286111137.db2.gz PRNPZINPSPAWDS-NSISKUIASA-N 1 3 327.472 2.722 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCCC#N)cc2)CC1 ZINC001172482704 1286144797 /nfs/dbraw/zinc/14/47/97/1286144797.db2.gz JMZFKZKWAPXBTH-SFHVURJKSA-N 1 3 328.504 2.996 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094923673 1286184010 /nfs/dbraw/zinc/18/40/10/1286184010.db2.gz SHOLYKJLUKPXEZ-BZSNNMDCSA-N 1 3 333.520 2.796 20 30 EFEDHO CC[NH+](CC)C1CCC(N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001173114537 1286416068 /nfs/dbraw/zinc/41/60/68/1286416068.db2.gz OCRFARNCWUZAHN-UHFFFAOYSA-N 1 3 341.503 2.728 20 30 EFEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203256290 1286760836 /nfs/dbraw/zinc/76/08/36/1286760836.db2.gz HIBVAWITESHHTC-IAGOWNOFSA-N 1 3 333.520 2.844 20 30 EFEDHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203256289 1286761689 /nfs/dbraw/zinc/76/16/89/1286761689.db2.gz HIBVAWITESHHTC-DLBZAZTESA-N 1 3 333.520 2.844 20 30 EFEDHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134773999 1287171486 /nfs/dbraw/zinc/17/14/86/1287171486.db2.gz TZOYBOVPDAKKBB-HZPDHXFCSA-N 1 3 344.503 2.661 20 30 EFEDHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccccc1C#N ZINC001134773999 1287171490 /nfs/dbraw/zinc/17/14/90/1287171490.db2.gz TZOYBOVPDAKKBB-HZPDHXFCSA-N 1 3 344.503 2.661 20 30 EFEDHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134774000 1287172036 /nfs/dbraw/zinc/17/20/36/1287172036.db2.gz TZOYBOVPDAKKBB-JKSUJKDBSA-N 1 3 344.503 2.661 20 30 EFEDHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001134774000 1287172040 /nfs/dbraw/zinc/17/20/40/1287172040.db2.gz TZOYBOVPDAKKBB-JKSUJKDBSA-N 1 3 344.503 2.661 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC2CC(C)C2)CC1 ZINC001176739815 1288089946 /nfs/dbraw/zinc/08/99/46/1288089946.db2.gz ZXKMUKNBQFNXIZ-JLAWEPINSA-N 1 3 347.547 2.642 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001176925761 1288175857 /nfs/dbraw/zinc/17/58/57/1288175857.db2.gz ARATVDYOUMYWDX-MOPGFXCFSA-N 1 3 347.547 2.644 20 30 EFEDHO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCCCCC ZINC001135691441 1288268050 /nfs/dbraw/zinc/26/80/50/1288268050.db2.gz URPYOLDRASFVGR-ZWKOTPCHSA-N 1 3 341.540 2.574 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1C(C)C ZINC001177317178 1288385035 /nfs/dbraw/zinc/38/50/35/1288385035.db2.gz PHTVGJFKTYMHNL-HXUWFJFHSA-N 1 3 347.547 2.881 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086783607 1288392904 /nfs/dbraw/zinc/39/29/04/1288392904.db2.gz IFXZRPIQPMAQKJ-YESZJQIVSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783607 1288392913 /nfs/dbraw/zinc/39/29/13/1288392913.db2.gz IFXZRPIQPMAQKJ-YESZJQIVSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177339342 1288398193 /nfs/dbraw/zinc/39/81/93/1288398193.db2.gz CRMSQJMSWYKHNN-LJQANCHMSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC(C)(C)C1 ZINC001177415918 1288423709 /nfs/dbraw/zinc/42/37/09/1288423709.db2.gz OLEILAPNQCDLRS-UHFFFAOYSA-N 1 3 347.547 2.740 20 30 EFEDHO C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477623 1288464119 /nfs/dbraw/zinc/46/41/19/1288464119.db2.gz JREKKJWIOQGJLX-KRWDZBQOSA-N 1 3 341.927 2.689 20 30 EFEDHO C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477623 1288464122 /nfs/dbraw/zinc/46/41/22/1288464122.db2.gz JREKKJWIOQGJLX-KRWDZBQOSA-N 1 3 341.927 2.689 20 30 EFEDHO C=CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179585084 1289202992 /nfs/dbraw/zinc/20/29/92/1289202992.db2.gz CEADZTSIPWCHBZ-GOSISDBHSA-N 1 3 327.488 2.651 20 30 EFEDHO C[NH+]1CCC(CN2CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC001232608753 1312743730 /nfs/dbraw/zinc/74/37/30/1312743730.db2.gz SQDTWKRLCKXGJF-UHFFFAOYSA-N 1 3 346.906 2.671 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746272 1289927022 /nfs/dbraw/zinc/92/70/22/1289927022.db2.gz PGYAYQNVGOZHQQ-ZHALLVOQSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001183517179 1290353317 /nfs/dbraw/zinc/35/33/17/1290353317.db2.gz SWVBKQPZGFOTMG-WSTZPKSXSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001184714363 1290497843 /nfs/dbraw/zinc/49/78/43/1290497843.db2.gz XYJZRZTWRYNSTM-HIFRSBDPSA-N 1 3 329.916 2.543 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185170812 1290609683 /nfs/dbraw/zinc/60/96/83/1290609683.db2.gz RZKFQAZMJHOSFO-ZWKOTPCHSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000877031243 1291111144 /nfs/dbraw/zinc/11/11/44/1291111144.db2.gz SFQSYMQJWJRZPK-BFYDXBDKSA-N 1 3 333.863 2.599 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000877031243 1291111148 /nfs/dbraw/zinc/11/11/48/1291111148.db2.gz SFQSYMQJWJRZPK-BFYDXBDKSA-N 1 3 333.863 2.599 20 30 EFEDHO N#Cc1ccc(OCCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878743152 1291772099 /nfs/dbraw/zinc/77/20/99/1291772099.db2.gz AQYGSHCNFLEWKW-UHFFFAOYSA-N 1 3 336.439 2.934 20 30 EFEDHO N#Cc1ccc(OCCC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000878743152 1291772105 /nfs/dbraw/zinc/77/21/05/1291772105.db2.gz AQYGSHCNFLEWKW-UHFFFAOYSA-N 1 3 336.439 2.934 20 30 EFEDHO N#Cc1ccc(OCCC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000878743152 1291772112 /nfs/dbraw/zinc/77/21/12/1291772112.db2.gz AQYGSHCNFLEWKW-UHFFFAOYSA-N 1 3 336.439 2.934 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957603282 1291855739 /nfs/dbraw/zinc/85/57/39/1291855739.db2.gz QAGWBVCHECKCDC-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016621355 1312886690 /nfs/dbraw/zinc/88/66/90/1312886690.db2.gz PGVKREWVDAGSTO-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513951 1312949458 /nfs/dbraw/zinc/94/94/58/1312949458.db2.gz XWWAFOCUNKIGHS-IRXDYDNUSA-N 1 3 345.512 2.512 20 30 EFEDHO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513951 1312949460 /nfs/dbraw/zinc/94/94/60/1312949460.db2.gz XWWAFOCUNKIGHS-IRXDYDNUSA-N 1 3 345.512 2.512 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016760899 1312963606 /nfs/dbraw/zinc/96/36/06/1312963606.db2.gz DSLIEHKZHZKDDW-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016760898 1312963681 /nfs/dbraw/zinc/96/36/81/1312963681.db2.gz DSLIEHKZHZKDDW-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246314 1293569684 /nfs/dbraw/zinc/56/96/84/1293569684.db2.gz KXCHEDVEECITPL-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246314 1293569690 /nfs/dbraw/zinc/56/96/90/1293569690.db2.gz KXCHEDVEECITPL-SFHVURJKSA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001203771802 1313011521 /nfs/dbraw/zinc/01/15/21/1313011521.db2.gz PAUFHFSZMNOUGV-RBUKOAKNSA-N 1 3 341.499 2.955 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773331 1313011658 /nfs/dbraw/zinc/01/16/58/1313011658.db2.gz VPZXYKJDLIWZHP-RTBURBONSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016860491 1313015072 /nfs/dbraw/zinc/01/50/72/1313015072.db2.gz IHTNZPIFLWQEST-MSOLQXFVSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016922985 1313044165 /nfs/dbraw/zinc/04/41/65/1313044165.db2.gz GTHPZZIQDRQFFW-RTBURBONSA-N 1 3 345.531 2.635 20 30 EFEDHO C=CCCC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203904337 1313044898 /nfs/dbraw/zinc/04/48/98/1313044898.db2.gz SOTWUCMSVRIZRR-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCCCCC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196024900 1294109201 /nfs/dbraw/zinc/10/92/01/1294109201.db2.gz KQEISLILGCQSKL-GOSISDBHSA-N 1 3 341.515 2.947 20 30 EFEDHO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196024900 1294109203 /nfs/dbraw/zinc/10/92/03/1294109203.db2.gz KQEISLILGCQSKL-GOSISDBHSA-N 1 3 341.515 2.947 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC001196619841 1294307913 /nfs/dbraw/zinc/30/79/13/1294307913.db2.gz NFUPYJWBTYPOEN-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC001196619841 1294307921 /nfs/dbraw/zinc/30/79/21/1294307921.db2.gz NFUPYJWBTYPOEN-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982344 1313070685 /nfs/dbraw/zinc/07/06/85/1313070685.db2.gz GTUNGJKQMZZKFN-IBGZPJMESA-N 1 3 341.499 2.909 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCO[C@H](C)c1ccccc1 ZINC000303775804 1294580231 /nfs/dbraw/zinc/58/02/31/1294580231.db2.gz HDOWHSPFYQFOPF-AEFFLSMTSA-N 1 3 332.492 2.543 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccc(C)cc1 ZINC000303879693 1294595128 /nfs/dbraw/zinc/59/51/28/1294595128.db2.gz GTCDGAXCUAFSAM-KRWDZBQOSA-N 1 3 332.492 2.543 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000303890816 1294598283 /nfs/dbraw/zinc/59/82/83/1294598283.db2.gz QEPWQGBTUPNEPS-CQSZACIVSA-N 1 3 334.464 2.551 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1OC ZINC000303898716 1294601122 /nfs/dbraw/zinc/60/11/22/1294601122.db2.gz VQOYFMBXCIMDSS-KUHUBIRLSA-N 1 3 348.491 2.941 20 30 EFEDHO C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345428 1313109249 /nfs/dbraw/zinc/10/92/49/1313109249.db2.gz IIVPOFBIDVWMPL-MOPGFXCFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640242 1313122332 /nfs/dbraw/zinc/12/23/32/1313122332.db2.gz UMRUXALXXLIOPL-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640242 1313122335 /nfs/dbraw/zinc/12/23/35/1313122335.db2.gz UMRUXALXXLIOPL-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCC1(C#N)CCOCC1 ZINC000887134155 1295288415 /nfs/dbraw/zinc/28/84/15/1295288415.db2.gz DCMIIKXERQWSOB-KRWDZBQOSA-N 1 3 328.460 2.693 20 30 EFEDHO C=CCC[NH2+][C@H](CNC(=O)CN1CCC[C@H]1C)c1ccccc1OC ZINC001198902861 1295303652 /nfs/dbraw/zinc/30/36/52/1295303652.db2.gz QWCKFDSFBWVYON-SJLPKXTDSA-N 1 3 345.487 2.503 20 30 EFEDHO C=C(C)CC[NH2+][C@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198938934 1295343057 /nfs/dbraw/zinc/34/30/57/1295343057.db2.gz FKTKUAXYOKERON-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO C=C(C)CCN[C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953588 1295352731 /nfs/dbraw/zinc/35/27/31/1295352731.db2.gz QWBIRONUHNESDF-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO C=C(C)CCN[C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953588 1295352742 /nfs/dbraw/zinc/35/27/42/1295352742.db2.gz QWBIRONUHNESDF-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCCCN[C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953551 1295353590 /nfs/dbraw/zinc/35/35/90/1295353590.db2.gz PWDPQNUWKUNRRR-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCCCN[C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953551 1295353596 /nfs/dbraw/zinc/35/35/96/1295353596.db2.gz PWDPQNUWKUNRRR-GOSISDBHSA-N 1 3 347.503 2.750 20 30 EFEDHO CC[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)Oc1cccc(C)c1 ZINC000304759201 1295750008 /nfs/dbraw/zinc/75/00/08/1295750008.db2.gz QXYRMOLYPOXVEY-IAGOWNOFSA-N 1 3 332.492 2.541 20 30 EFEDHO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274271007 1296050304 /nfs/dbraw/zinc/05/03/04/1296050304.db2.gz YUSPBYQCXSLRII-FQEVSTJZSA-N 1 3 338.455 2.954 20 30 EFEDHO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274271007 1296050314 /nfs/dbraw/zinc/05/03/14/1296050314.db2.gz YUSPBYQCXSLRII-FQEVSTJZSA-N 1 3 338.455 2.954 20 30 EFEDHO C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030192 1296493503 /nfs/dbraw/zinc/49/35/03/1296493503.db2.gz BZDQZROGVIMRFM-GDAAHCPNSA-N 1 3 326.488 2.697 20 30 EFEDHO C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030192 1296493508 /nfs/dbraw/zinc/49/35/08/1296493508.db2.gz BZDQZROGVIMRFM-GDAAHCPNSA-N 1 3 326.488 2.697 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049768216 1313279012 /nfs/dbraw/zinc/27/90/12/1313279012.db2.gz UVEHFJPSHGGSTM-IPMKNSEASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049768216 1313279016 /nfs/dbraw/zinc/27/90/16/1313279016.db2.gz UVEHFJPSHGGSTM-IPMKNSEASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768700 1313279660 /nfs/dbraw/zinc/27/96/60/1313279660.db2.gz YQMAGFLXRPOMED-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768700 1313279663 /nfs/dbraw/zinc/27/96/63/1313279663.db2.gz YQMAGFLXRPOMED-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000960270672 1296677319 /nfs/dbraw/zinc/67/73/19/1296677319.db2.gz HWLMHMGAPYWRRF-DFQSSKMNSA-N 1 3 341.499 2.522 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960270672 1296677341 /nfs/dbraw/zinc/67/73/41/1296677341.db2.gz HWLMHMGAPYWRRF-DFQSSKMNSA-N 1 3 341.499 2.522 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452844 1313292439 /nfs/dbraw/zinc/29/24/39/1313292439.db2.gz SLIOIUDUEMVKLV-RBUKOAKNSA-N 1 3 347.478 2.628 20 30 EFEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461366 1313293838 /nfs/dbraw/zinc/29/38/38/1313293838.db2.gz HOBYDVLWCONKSK-IBGZPJMESA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000960300110 1296717467 /nfs/dbraw/zinc/71/74/67/1296717467.db2.gz LTRDZTYOMNSLPY-SMMRIJLZSA-N 1 3 341.499 2.665 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000960300110 1296717473 /nfs/dbraw/zinc/71/74/73/1296717473.db2.gz LTRDZTYOMNSLPY-SMMRIJLZSA-N 1 3 341.499 2.665 20 30 EFEDHO CN(C)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428175 1313319525 /nfs/dbraw/zinc/31/95/25/1313319525.db2.gz PGQRFWPMKSPSOI-JKSUJKDBSA-N 1 3 344.478 2.975 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1F ZINC001205663611 1313333120 /nfs/dbraw/zinc/33/31/20/1313333120.db2.gz DROCDILDXCXTHV-PKOBYXMFSA-N 1 3 347.478 2.628 20 30 EFEDHO C=CCCCCC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206274246 1313429592 /nfs/dbraw/zinc/42/95/92/1313429592.db2.gz FWUJRVDECKOICH-GOSISDBHSA-N 1 3 335.536 2.903 20 30 EFEDHO N#Cc1ccc(N2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC001236061211 1313435811 /nfs/dbraw/zinc/43/58/11/1313435811.db2.gz YYEXCTMTEJYLFM-UHFFFAOYSA-N 1 3 342.462 2.599 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610229 1313437665 /nfs/dbraw/zinc/43/76/65/1313437665.db2.gz CHLIRKYUAALTCJ-QRVBRYPASA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610229 1313437669 /nfs/dbraw/zinc/43/76/69/1313437669.db2.gz CHLIRKYUAALTCJ-QRVBRYPASA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017618240 1313441576 /nfs/dbraw/zinc/44/15/76/1313441576.db2.gz PSLOZWMIEDVJCC-GBESFXJTSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017618240 1313441579 /nfs/dbraw/zinc/44/15/79/1313441579.db2.gz 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/nfs/dbraw/zinc/93/52/43/1307935243.db2.gz BCESGCGYDCTYII-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045936168 1307935246 /nfs/dbraw/zinc/93/52/46/1307935246.db2.gz BCESGCGYDCTYII-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965357 1308018594 /nfs/dbraw/zinc/01/85/94/1308018594.db2.gz GMAGPLFNLZCSDJ-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965357 1308018600 /nfs/dbraw/zinc/01/86/00/1308018600.db2.gz GMAGPLFNLZCSDJ-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965043 1308018883 /nfs/dbraw/zinc/01/88/83/1308018883.db2.gz BRONPGHNGMABIL-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965043 1308018887 /nfs/dbraw/zinc/01/88/87/1308018887.db2.gz BRONPGHNGMABIL-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966849 1308024188 /nfs/dbraw/zinc/02/41/88/1308024188.db2.gz HXKSRTFPFPOMEC-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966849 1308024192 /nfs/dbraw/zinc/02/41/92/1308024192.db2.gz HXKSRTFPFPOMEC-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966848 1308024237 /nfs/dbraw/zinc/02/42/37/1308024237.db2.gz HXKSRTFPFPOMEC-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966848 1308024241 /nfs/dbraw/zinc/02/42/41/1308024241.db2.gz HXKSRTFPFPOMEC-QUCCMNQESA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967391 1308025023 /nfs/dbraw/zinc/02/50/23/1308025023.db2.gz UACIGFKNDXPGEL-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967391 1308025027 /nfs/dbraw/zinc/02/50/27/1308025027.db2.gz UACIGFKNDXPGEL-UYAOXDASSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045973508 1308042982 /nfs/dbraw/zinc/04/29/82/1308042982.db2.gz SCOKBLHBPIUSAM-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045973508 1308042984 /nfs/dbraw/zinc/04/29/84/1308042984.db2.gz SCOKBLHBPIUSAM-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045973854 1308044748 /nfs/dbraw/zinc/04/47/48/1308044748.db2.gz VZPLZPAEMFHEKM-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319512 1308536859 /nfs/dbraw/zinc/53/68/59/1308536859.db2.gz SZKRGCFDNMSOAB-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319512 1308536860 /nfs/dbraw/zinc/53/68/60/1308536860.db2.gz SZKRGCFDNMSOAB-YLJYHZDGSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047243627 1310397404 /nfs/dbraw/zinc/39/74/04/1310397404.db2.gz MFCBLMIRQMXWSG-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047255618 1310428543 /nfs/dbraw/zinc/42/85/43/1310428543.db2.gz CBAFWYBWXYYFLI-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047257036 1310431756 /nfs/dbraw/zinc/43/17/56/1310431756.db2.gz OLXSOUWOQMJTMN-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001222049558 1311073509 /nfs/dbraw/zinc/07/35/09/1311073509.db2.gz FTUWQDQYVWHIQX-AQNXPRMDSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001222049558 1311073511 /nfs/dbraw/zinc/07/35/11/1311073511.db2.gz FTUWQDQYVWHIQX-AQNXPRMDSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223182178 1311227087 /nfs/dbraw/zinc/22/70/87/1311227087.db2.gz YOIWWLOVRLOFAA-YZGWKJHDSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223182178 1311227091 /nfs/dbraw/zinc/22/70/91/1311227091.db2.gz YOIWWLOVRLOFAA-YZGWKJHDSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001101231314 1311228081 /nfs/dbraw/zinc/22/80/81/1311228081.db2.gz XTDJPVIKONBCOZ-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001101231314 1311228084 /nfs/dbraw/zinc/22/80/84/1311228084.db2.gz XTDJPVIKONBCOZ-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489452 1311268099 /nfs/dbraw/zinc/26/80/99/1311268099.db2.gz PNOAPEAVSGCYDJ-QRVBRYPASA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)C[C@@H]21 ZINC001223489452 1311268103 /nfs/dbraw/zinc/26/81/03/1311268103.db2.gz PNOAPEAVSGCYDJ-QRVBRYPASA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223912111 1311319920 /nfs/dbraw/zinc/31/99/20/1311319920.db2.gz NCTXLVZTPWQTME-CVEARBPZSA-N 1 3 330.476 2.576 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223912111 1311319925 /nfs/dbraw/zinc/31/99/25/1311319925.db2.gz NCTXLVZTPWQTME-CVEARBPZSA-N 1 3 330.476 2.576 20 30 EFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426658 1311358046 /nfs/dbraw/zinc/35/80/46/1311358046.db2.gz HLDNYKLQOHBZLZ-OIISXLGYSA-N 1 3 343.943 2.934 20 30 EFEDHO C=CCCCCC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224558970 1311407089 /nfs/dbraw/zinc/40/70/89/1311407089.db2.gz KZMZOEJEIDKHAC-SFHVURJKSA-N 1 3 335.536 2.903 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001158915011 1311416553 /nfs/dbraw/zinc/41/65/53/1311416553.db2.gz ZSJHMEFZXMUMAE-HXUWFJFHSA-N 1 3 345.531 2.611 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC=C(C)C)CC1 ZINC001158915011 1311416556 /nfs/dbraw/zinc/41/65/56/1311416556.db2.gz ZSJHMEFZXMUMAE-HXUWFJFHSA-N 1 3 345.531 2.611 20 30 EFEDHO N#Cc1cccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159459716 1311519994 /nfs/dbraw/zinc/51/99/94/1311519994.db2.gz BUGWCBRVYTWYDZ-UHFFFAOYSA-N 1 3 345.450 2.863 20 30 EFEDHO C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628763 1311555388 /nfs/dbraw/zinc/55/53/88/1311555388.db2.gz PMHKMBRUEBXVCB-IBGZPJMESA-N 1 3 333.520 2.965 20 30 EFEDHO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628763 1311555389 /nfs/dbraw/zinc/55/53/89/1311555389.db2.gz PMHKMBRUEBXVCB-IBGZPJMESA-N 1 3 333.520 2.965 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360406 1311697229 /nfs/dbraw/zinc/69/72/29/1311697229.db2.gz QMIKORVAWTUDMW-QFBILLFUSA-N 1 3 333.520 2.820 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360406 1311697233 /nfs/dbraw/zinc/69/72/33/1311697233.db2.gz QMIKORVAWTUDMW-QFBILLFUSA-N 1 3 333.520 2.820 20 30 EFEDHO C=CCCCCCN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277152787 1311717375 /nfs/dbraw/zinc/71/73/75/1311717375.db2.gz VJZFUGIJFDGNQV-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C#C[C@H](CC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160309 1311769923 /nfs/dbraw/zinc/76/99/23/1311769923.db2.gz FRTMEODODBTHDJ-LJQANCHMSA-N 1 3 331.504 2.662 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227704412 1311842165 /nfs/dbraw/zinc/84/21/65/1311842165.db2.gz YLTAYFSSWSHQDJ-QRVBRYPASA-N 1 3 333.520 2.844 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491734 1311899711 /nfs/dbraw/zinc/89/97/11/1311899711.db2.gz MJHVLFAAIRVLHD-LJQANCHMSA-N 1 3 333.520 2.515 20 30 EFEDHO C#CCC[N@H+]1CC=C(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001161497062 1311900861 /nfs/dbraw/zinc/90/08/61/1311900861.db2.gz QYULHQBCQRFLMU-UHFFFAOYSA-N 1 3 333.520 2.660 20 30 EFEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)CN(C)CCCCCC)CC1 ZINC001161497062 1311900863 /nfs/dbraw/zinc/90/08/63/1311900863.db2.gz QYULHQBCQRFLMU-UHFFFAOYSA-N 1 3 333.520 2.660 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC001161947097 1312010859 /nfs/dbraw/zinc/01/08/59/1312010859.db2.gz XVLGFKVDOPDFEY-GOSISDBHSA-N 1 3 345.531 2.516 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@@H+](C[C@H](C)CC)CC2)CC1 ZINC001161947097 1312010862 /nfs/dbraw/zinc/01/08/62/1312010862.db2.gz XVLGFKVDOPDFEY-GOSISDBHSA-N 1 3 345.531 2.516 20 30 EFEDHO C=C(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162840793 1312187905 /nfs/dbraw/zinc/18/79/05/1312187905.db2.gz AQHNRLRNULBTHA-HXUWFJFHSA-N 1 3 345.531 2.954 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162935180 1312206538 /nfs/dbraw/zinc/20/65/38/1312206538.db2.gz SEXREQOPMSOWRR-IBGZPJMESA-N 1 3 331.504 2.564 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001015603268 1312208246 /nfs/dbraw/zinc/20/82/46/1312208246.db2.gz QJSFNWYWCHHPIU-IEBWSBKVSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001015603268 1312208249 /nfs/dbraw/zinc/20/82/49/1312208249.db2.gz QJSFNWYWCHHPIU-IEBWSBKVSA-N 1 3 333.520 2.940 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230604866 1312280342 /nfs/dbraw/zinc/28/03/42/1312280342.db2.gz JZZNBLKHXBIBJY-IBGZPJMESA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230604866 1312280344 /nfs/dbraw/zinc/28/03/44/1312280344.db2.gz JZZNBLKHXBIBJY-IBGZPJMESA-N 1 3 347.547 2.691 20 30 EFEDHO C=CCCC[N@@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230907006 1312387829 /nfs/dbraw/zinc/38/78/29/1312387829.db2.gz YOBQXRYZRKUXQP-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=CCCC[N@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230907006 1312387830 /nfs/dbraw/zinc/38/78/30/1312387830.db2.gz YOBQXRYZRKUXQP-UHFFFAOYSA-N 1 3 346.519 2.698 20 30 EFEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001164491881 1312525159 /nfs/dbraw/zinc/52/51/59/1312525159.db2.gz PAAIQKZXRWBWDZ-MRXNPFEDSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491881 1312525162 /nfs/dbraw/zinc/52/51/62/1312525162.db2.gz PAAIQKZXRWBWDZ-MRXNPFEDSA-N 1 3 327.900 2.632 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858199 1314425707 /nfs/dbraw/zinc/42/57/07/1314425707.db2.gz AAKQLBFTFSBWMH-RTBURBONSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001052858199 1314425709 /nfs/dbraw/zinc/42/57/09/1314425709.db2.gz AAKQLBFTFSBWMH-RTBURBONSA-N 1 3 333.520 2.635 20 30 EFEDHO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH+](CC)CC2)CC1 ZINC001052990685 1314546819 /nfs/dbraw/zinc/54/68/19/1314546819.db2.gz KWYXNXPELHBVMH-BGYRXZFFSA-N 1 3 345.531 2.892 20 30 EFEDHO CCCCCCCCCC[C@@H](O)CNC[C@]12C[NH2+]C[C@H]1COC2 ZINC001245985968 1314560224 /nfs/dbraw/zinc/56/02/24/1314560224.db2.gz UHWVMBRAMXVOLU-OTWHNJEPSA-N 1 3 326.525 2.704 20 30 EFEDHO CCCCCCCC[C@H](O)CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246025197 1314569283 /nfs/dbraw/zinc/56/92/83/1314569283.db2.gz GLTFQCTZMGEKLW-RBUKOAKNSA-N 1 3 325.541 2.515 20 30 EFEDHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC(C#Cc2ccccc2)CC1 ZINC001246052934 1314575219 /nfs/dbraw/zinc/57/52/19/1314575219.db2.gz MPSIOIWZKNFPDX-XZOQPEGZSA-N 1 3 348.490 2.681 20 30 EFEDHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001246052934 1314575220 /nfs/dbraw/zinc/57/52/20/1314575220.db2.gz MPSIOIWZKNFPDX-XZOQPEGZSA-N 1 3 348.490 2.681 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029495 1314603146 /nfs/dbraw/zinc/60/31/46/1314603146.db2.gz SOQIVQOSPRTXAO-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029495 1314603151 /nfs/dbraw/zinc/60/31/51/1314603151.db2.gz SOQIVQOSPRTXAO-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCOC(=O)N1CCCC2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC001246527011 1314642594 /nfs/dbraw/zinc/64/25/94/1314642594.db2.gz RUQMJXCFZPLXJM-JWTNVVGKSA-N 1 3 347.503 2.770 20 30 EFEDHO CCCCCCC[C@@H](CCC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246626746 1314660564 /nfs/dbraw/zinc/66/05/64/1314660564.db2.gz KOCGXKFJFNRLPU-YLJYHZDGSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCC[C@@H](CCC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246626746 1314660570 /nfs/dbraw/zinc/66/05/70/1314660570.db2.gz KOCGXKFJFNRLPU-YLJYHZDGSA-N 1 3 335.536 2.927 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088193 1314695504 /nfs/dbraw/zinc/69/55/04/1314695504.db2.gz QUXBBDKTFUNPSD-ICSRJNTNSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088193 1314695507 /nfs/dbraw/zinc/69/55/07/1314695507.db2.gz QUXBBDKTFUNPSD-ICSRJNTNSA-N 1 3 345.531 2.587 20 30 EFEDHO C[C@H](Cc1ccc(C#N)cc1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880096 1314701771 /nfs/dbraw/zinc/70/17/71/1314701771.db2.gz PVXYMAUMEPFMCE-YHYVQYDKSA-N 1 3 331.463 2.962 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098953 1314713382 /nfs/dbraw/zinc/71/33/82/1314713382.db2.gz RILRMXBAXYXARF-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098953 1314713386 /nfs/dbraw/zinc/71/33/86/1314713386.db2.gz RILRMXBAXYXARF-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103964 1314723435 /nfs/dbraw/zinc/72/34/35/1314723435.db2.gz BEBKUOXNBRXBHX-WOJBJXKFSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248075 1314818302 /nfs/dbraw/zinc/81/83/02/1314818302.db2.gz 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C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132807 1315341953 /nfs/dbraw/zinc/34/19/53/1315341953.db2.gz ORIJLCBDDBFELH-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132807 1315341958 /nfs/dbraw/zinc/34/19/58/1315341958.db2.gz ORIJLCBDDBFELH-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001054156825 1315383172 /nfs/dbraw/zinc/38/31/72/1315383172.db2.gz YOVQXHJDASSUDZ-OAQYLSRUSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156825 1315383178 /nfs/dbraw/zinc/38/31/78/1315383178.db2.gz YOVQXHJDASSUDZ-OAQYLSRUSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197468 1315441259 /nfs/dbraw/zinc/44/12/59/1315441259.db2.gz CECLITWFKSBFKL-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197468 1315441261 /nfs/dbraw/zinc/44/12/61/1315441261.db2.gz CECLITWFKSBFKL-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197325 1315441887 /nfs/dbraw/zinc/44/18/87/1315441887.db2.gz VZXXJOKYSNYDQY-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197325 1315441891 /nfs/dbraw/zinc/44/18/91/1315441891.db2.gz VZXXJOKYSNYDQY-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209627 1315460110 /nfs/dbraw/zinc/46/01/10/1315460110.db2.gz UIVTYOZHOWLGGV-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209627 1315460113 /nfs/dbraw/zinc/46/01/13/1315460113.db2.gz UIVTYOZHOWLGGV-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209629 1315460679 /nfs/dbraw/zinc/46/06/79/1315460679.db2.gz 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C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180349 1315587414 /nfs/dbraw/zinc/58/74/14/1315587414.db2.gz PJNBGQLSOPDVAX-OALUTQOASA-N 1 3 335.536 2.709 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180349 1315587416 /nfs/dbraw/zinc/58/74/16/1315587416.db2.gz PJNBGQLSOPDVAX-OALUTQOASA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234159 1315657664 /nfs/dbraw/zinc/65/76/64/1315657664.db2.gz PRCWGAXSIYMTPM-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234159 1315657668 /nfs/dbraw/zinc/65/76/68/1315657668.db2.gz PRCWGAXSIYMTPM-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO N#CC[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038661 1315668425 /nfs/dbraw/zinc/66/84/25/1315668425.db2.gz MUHCDXCTUWMESL-LJQANCHMSA-N 1 3 327.472 2.639 20 30 EFEDHO N#CC[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038661 1315668427 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MYZJNOZLRVPEPG-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001256626078 1315971427 /nfs/dbraw/zinc/97/14/27/1315971427.db2.gz MNRLUHXBAOPFFY-LXKKFAQKSA-N 1 3 334.504 2.685 20 30 EFEDHO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)N3C)CCO2 ZINC001256626078 1315971428 /nfs/dbraw/zinc/97/14/28/1315971428.db2.gz MNRLUHXBAOPFFY-LXKKFAQKSA-N 1 3 334.504 2.685 20 30 EFEDHO N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256684031 1315981346 /nfs/dbraw/zinc/98/13/46/1315981346.db2.gz MFOUISQAGVDVAU-LBXVMSDZSA-N 1 3 325.456 2.779 20 30 EFEDHO C=CCOC(=O)N1CCC(C[NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001258008624 1316109777 /nfs/dbraw/zinc/10/97/77/1316109777.db2.gz AJWHGXRIFCOHAE-UHFFFAOYSA-N 1 3 337.508 2.731 20 30 EFEDHO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014116 1316110022 /nfs/dbraw/zinc/11/00/22/1316110022.db2.gz CJOXUBICOOJFDK-PMACEKPBSA-N 1 3 336.520 2.933 20 30 EFEDHO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014116 1316110025 /nfs/dbraw/zinc/11/00/25/1316110025.db2.gz CJOXUBICOOJFDK-PMACEKPBSA-N 1 3 336.520 2.933 20 30 EFEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C1CC[NH+](CCC)CC1)C2 ZINC001258772797 1316176472 /nfs/dbraw/zinc/17/64/72/1316176472.db2.gz YMMYRQZRRDUWHX-FQEVSTJZSA-N 1 3 333.520 2.894 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040378730 1316229976 /nfs/dbraw/zinc/22/99/76/1316229976.db2.gz GKQQMADULMFBGG-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040378730 1316229979 /nfs/dbraw/zinc/22/99/79/1316229979.db2.gz GKQQMADULMFBGG-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040432995 1316262748 /nfs/dbraw/zinc/26/27/48/1316262748.db2.gz QVKICAIDKCMJTM-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040432995 1316262749 /nfs/dbraw/zinc/26/27/49/1316262749.db2.gz QVKICAIDKCMJTM-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433565 1316263171 /nfs/dbraw/zinc/26/31/71/1316263171.db2.gz XJGWXDFMKMZJPX-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433565 1316263173 /nfs/dbraw/zinc/26/31/73/1316263173.db2.gz XJGWXDFMKMZJPX-CTNGQTDRSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433569 1316263348 /nfs/dbraw/zinc/26/33/48/1316263348.db2.gz XJGWXDFMKMZJPX-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433569 1316263351 /nfs/dbraw/zinc/26/33/51/1316263351.db2.gz XJGWXDFMKMZJPX-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040543128 1316315208 /nfs/dbraw/zinc/31/52/08/1316315208.db2.gz HKVWDDBNBJWCEG-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040543128 1316315210 /nfs/dbraw/zinc/31/52/10/1316315210.db2.gz HKVWDDBNBJWCEG-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545575 1316316830 /nfs/dbraw/zinc/31/68/30/1316316830.db2.gz RDGMYIXXXODVHA-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040545575 1316316834 /nfs/dbraw/zinc/31/68/34/1316316834.db2.gz RDGMYIXXXODVHA-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C#CCN1CCC2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001040755123 1316368087 /nfs/dbraw/zinc/36/80/87/1316368087.db2.gz PXEXXUGWBDEUBN-UHFFFAOYSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CCC2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001040755123 1316368091 /nfs/dbraw/zinc/36/80/91/1316368091.db2.gz PXEXXUGWBDEUBN-UHFFFAOYSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724340 1316666738 /nfs/dbraw/zinc/66/67/38/1316666738.db2.gz VJNLGOWJYBGRLI-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724340 1316666740 /nfs/dbraw/zinc/66/67/40/1316666740.db2.gz VJNLGOWJYBGRLI-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757216 1316683535 /nfs/dbraw/zinc/68/35/35/1316683535.db2.gz QYTWUTDLDSNSHV-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757216 1316683537 /nfs/dbraw/zinc/68/35/37/1316683537.db2.gz QYTWUTDLDSNSHV-HXUWFJFHSA-N 1 3 333.520 2.609 20 30 EFEDHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001266182244 1317129060 /nfs/dbraw/zinc/12/90/60/1317129060.db2.gz DINFPOAIPYJPJL-QAPCUYQASA-N 1 3 349.906 2.516 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365843 1317217976 /nfs/dbraw/zinc/21/79/76/1317217976.db2.gz RCQXROJKQDCPAQ-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042365843 1317217983 /nfs/dbraw/zinc/21/79/83/1317217983.db2.gz RCQXROJKQDCPAQ-UYAOXDASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCN1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001281299688 1318156525 /nfs/dbraw/zinc/15/65/25/1318156525.db2.gz PRVFLDCBXNWJJU-LJQANCHMSA-N 1 3 329.488 2.781 20 30 EFEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC001335398430 1331342588 /nfs/dbraw/zinc/34/25/88/1331342588.db2.gz PKLKMIUKAWKESP-KRWDZBQOSA-N 1 3 340.389 2.816 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089913 1332138167 /nfs/dbraw/zinc/13/81/67/1332138167.db2.gz HFKVJLQLDAMCBM-OALUTQOASA-N 1 3 329.488 2.651 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089913 1332138170 /nfs/dbraw/zinc/13/81/70/1332138170.db2.gz HFKVJLQLDAMCBM-OALUTQOASA-N 1 3 329.488 2.651 20 30 EFEDHO C=CCCC[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001340093067 1332138564 /nfs/dbraw/zinc/13/85/64/1332138564.db2.gz HUUVMJPLNMMNNS-KRWDZBQOSA-N 1 3 328.460 2.825 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001341072295 1332231522 /nfs/dbraw/zinc/23/15/22/1332231522.db2.gz OIMROIRRZCRGBW-MOPGFXCFSA-N 1 3 345.487 2.632 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001407552477 1368976267 /nfs/dbraw/zinc/97/62/67/1368976267.db2.gz UCPFFCXVPAXPOG-LSDHHAIUSA-N 1 3 329.916 2.543 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001354474245 1334321166 /nfs/dbraw/zinc/32/11/66/1334321166.db2.gz HKWLQOIVFKRCEH-QRQLOZEOSA-N 1 3 329.488 2.554 20 30 EFEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001354474245 1334321170 /nfs/dbraw/zinc/32/11/70/1334321170.db2.gz HKWLQOIVFKRCEH-QRQLOZEOSA-N 1 3 329.488 2.554 20 30 EFEDHO CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)N(C)C)CCCO1 ZINC001200795687 1334543047 /nfs/dbraw/zinc/54/30/47/1334543047.db2.gz NDOPRWBAWIIGRS-ZWKOTPCHSA-N 1 3 341.540 2.504 20 30 EFEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001357374256 1335305711 /nfs/dbraw/zinc/30/57/11/1335305711.db2.gz AHHQMQHUHGYGSL-HNNXBMFYSA-N 1 3 339.867 2.903 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC001357458659 1335308261 /nfs/dbraw/zinc/30/82/61/1335308261.db2.gz ZDSNVCSKUDQHFW-AABGKKOBSA-N 1 3 343.515 2.869 20 30 EFEDHO C=C(Cl)CNC[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001367202660 1338509695 /nfs/dbraw/zinc/50/96/95/1338509695.db2.gz YYROVRZDXFBPOT-SFHVURJKSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCC1 ZINC001367319602 1338616583 /nfs/dbraw/zinc/61/65/83/1338616583.db2.gz KROYYMOWNMWKHT-OAHLLOKOSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001367319602 1338616584 /nfs/dbraw/zinc/61/65/84/1338616584.db2.gz KROYYMOWNMWKHT-OAHLLOKOSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001368774571 1339691676 /nfs/dbraw/zinc/69/16/76/1339691676.db2.gz FEFGIEIHEZFNDS-UHFFFAOYSA-N 1 3 329.916 2.641 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001368774571 1339691679 /nfs/dbraw/zinc/69/16/79/1339691679.db2.gz FEFGIEIHEZFNDS-UHFFFAOYSA-N 1 3 329.916 2.641 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001375580780 1342899941 /nfs/dbraw/zinc/89/99/41/1342899941.db2.gz ZIRZKCQNGWJFOP-QGZVFWFLSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001375580780 1342899946 /nfs/dbraw/zinc/89/99/46/1342899946.db2.gz ZIRZKCQNGWJFOP-QGZVFWFLSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001380672846 1347804106 /nfs/dbraw/zinc/80/41/06/1347804106.db2.gz FCWJBKUCPQUTFQ-QAPCUYQASA-N 1 3 349.906 2.941 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390616203 1354211850 /nfs/dbraw/zinc/21/18/50/1354211850.db2.gz QAKNJFAFYRCXSX-GJZGRUSLSA-N 1 3 329.916 2.734 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCC1 ZINC001401295833 1362642199 /nfs/dbraw/zinc/64/21/99/1362642199.db2.gz ZFWATCZYRUUKRW-IRXDYDNUSA-N 1 3 343.943 2.980 20 30 EFEDHO C=C(Cl)CN[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001406041173 1367132038 /nfs/dbraw/zinc/13/20/38/1367132038.db2.gz IYGBUHUHAVKARP-KRWDZBQOSA-N 1 3 337.895 2.845 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)CCC ZINC001407011510 1368320760 /nfs/dbraw/zinc/32/07/60/1368320760.db2.gz QVQSUTBTPMLRKC-MQVJKMGUSA-N 1 3 327.900 2.582 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174340 1368541971 /nfs/dbraw/zinc/54/19/71/1368541971.db2.gz QWPAHXHMWJNMDN-HOTGVXAUSA-N 1 3 329.916 2.590 20 30 EFEDHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001438336763 1388516780 /nfs/dbraw/zinc/51/67/80/1388516780.db2.gz PNRACUDIXGZLKH-GOSISDBHSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001421580110 1378841734 /nfs/dbraw/zinc/84/17/34/1378841734.db2.gz RTFJMENJEUXMPH-RHSMWYFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001421580110 1378841740 /nfs/dbraw/zinc/84/17/40/1378841740.db2.gz RTFJMENJEUXMPH-RHSMWYFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001438608319 1388695052 /nfs/dbraw/zinc/69/50/52/1388695052.db2.gz DOOSNWUJNWNXEA-UHFFFAOYSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001423644084 1382214569 /nfs/dbraw/zinc/21/45/69/1382214569.db2.gz AQJQCJZTSDXXMG-LJQANCHMSA-N 1 3 349.906 2.943 20 30 EFEDHO C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1CC ZINC001440890451 1389982088 /nfs/dbraw/zinc/98/20/88/1389982088.db2.gz VGBRXIRERSBXJE-HNNXBMFYSA-N 1 3 329.916 2.688 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001447741540 1391748566 /nfs/dbraw/zinc/74/85/66/1391748566.db2.gz UXEUQBOCBYKSII-UHFFFAOYSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CN[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001496624266 1400877844 /nfs/dbraw/zinc/87/78/44/1400877844.db2.gz WAFHGYBDNQJVNR-MRXNPFEDSA-N 1 3 329.916 2.590 20 30 EFEDHO C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)N(C)C)CC2 ZINC001568252321 1416456268 /nfs/dbraw/zinc/45/62/68/1416456268.db2.gz HMIVTQPXAIYFQW-SFHVURJKSA-N 1 3 335.536 2.997 20 30 EFEDHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153931 712940584 /nfs/dbraw/zinc/94/05/84/712940584.db2.gz SRWOHOMQEJEKBE-HXUWFJFHSA-N 1 3 341.499 2.746 20 30 EFEDHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000969153931 712940585 /nfs/dbraw/zinc/94/05/85/712940585.db2.gz SRWOHOMQEJEKBE-HXUWFJFHSA-N 1 3 341.499 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134329 713469969 /nfs/dbraw/zinc/46/99/69/713469969.db2.gz PFAFNGQJRFACAN-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134329 713469970 /nfs/dbraw/zinc/46/99/70/713469970.db2.gz PFAFNGQJRFACAN-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928063 714143210 /nfs/dbraw/zinc/14/32/10/714143210.db2.gz IJFUMBCVKYZDRP-INIZCTEOSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669952 714271402 /nfs/dbraw/zinc/27/14/02/714271402.db2.gz IYUICCCBCOPWKE-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669952 714271406 /nfs/dbraw/zinc/27/14/06/714271406.db2.gz IYUICCCBCOPWKE-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251082 717980619 /nfs/dbraw/zinc/98/06/19/717980619.db2.gz FULBZSSOCAXMCA-UHOSZYNNSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251082 717980621 /nfs/dbraw/zinc/98/06/21/717980621.db2.gz FULBZSSOCAXMCA-UHOSZYNNSA-N 1 3 341.499 2.765 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C(F)(F)F)cc1 ZINC000303712242 724417508 /nfs/dbraw/zinc/41/75/08/724417508.db2.gz PVEBGLDNSUJEFG-HNNXBMFYSA-N 1 3 342.409 2.637 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038707765 716133855 /nfs/dbraw/zinc/13/38/55/716133855.db2.gz YBYYDQZDVGFXOM-IBGZPJMESA-N 1 3 329.488 2.561 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001023128817 716165246 /nfs/dbraw/zinc/16/52/46/716165246.db2.gz UHCURHNJNKJUSD-BGYRXZFFSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(C)CN1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977621844 716422247 /nfs/dbraw/zinc/42/22/47/716422247.db2.gz JLYDMRLQSYTGRP-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710194 717369617 /nfs/dbraw/zinc/36/96/17/717369617.db2.gz JSYYZZXSDRQWAZ-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710194 717369622 /nfs/dbraw/zinc/36/96/22/717369622.db2.gz JSYYZZXSDRQWAZ-RCCFBDPRSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980166094 717830271 /nfs/dbraw/zinc/83/02/71/717830271.db2.gz DVHNZUOASPZKFB-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980166094 717830273 /nfs/dbraw/zinc/83/02/73/717830273.db2.gz DVHNZUOASPZKFB-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024711934 718101564 /nfs/dbraw/zinc/10/15/64/718101564.db2.gz NFKRAENZLKMGHI-LJQANCHMSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751850 718135103 /nfs/dbraw/zinc/13/51/03/718135103.db2.gz LLWLARNTRASQPT-RTBURBONSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751850 718135104 /nfs/dbraw/zinc/13/51/04/718135104.db2.gz LLWLARNTRASQPT-RTBURBONSA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246771 718466867 /nfs/dbraw/zinc/46/68/67/718466867.db2.gz HCLVTXVBRWZOKY-MSOLQXFVSA-N 1 3 331.504 2.646 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259649 718476104 /nfs/dbraw/zinc/47/61/04/718476104.db2.gz SKYCNEACMLWMMI-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259649 718476107 /nfs/dbraw/zinc/47/61/07/718476107.db2.gz SKYCNEACMLWMMI-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259650 718476210 /nfs/dbraw/zinc/47/62/10/718476210.db2.gz SKYCNEACMLWMMI-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259650 718476211 /nfs/dbraw/zinc/47/62/11/718476211.db2.gz SKYCNEACMLWMMI-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472928 718958419 /nfs/dbraw/zinc/95/84/19/718958419.db2.gz WDNYYFVWTATIBD-HOCLYGCPSA-N 1 3 346.862 2.917 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001025631340 719259219 /nfs/dbraw/zinc/25/92/19/719259219.db2.gz ZRYQZMIEAXOLBW-ICSRJNTNSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001025631340 719259223 /nfs/dbraw/zinc/25/92/23/719259223.db2.gz ZRYQZMIEAXOLBW-ICSRJNTNSA-N 1 3 345.531 2.515 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC000982110459 719568431 /nfs/dbraw/zinc/56/84/31/719568431.db2.gz QFWSMKPXBRNKNA-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC000982110459 719568435 /nfs/dbraw/zinc/56/84/35/719568435.db2.gz QFWSMKPXBRNKNA-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292655 719822111 /nfs/dbraw/zinc/82/21/11/719822111.db2.gz SKKSRCMDVQYVIC-RLLQIKCJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292655 719822116 /nfs/dbraw/zinc/82/21/16/719822116.db2.gz SKKSRCMDVQYVIC-RLLQIKCJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH2+]C1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559128 720751196 /nfs/dbraw/zinc/75/11/96/720751196.db2.gz BIFQKJCVQGVTAJ-RJYAGPCLSA-N 1 3 339.499 2.792 20 30 EFEDHO C=C(C)C[NH2+]C1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001026610731 720812800 /nfs/dbraw/zinc/81/28/00/720812800.db2.gz UKMNKXYYUDRFEI-UHFFFAOYSA-N 1 3 329.488 2.955 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623961 720959929 /nfs/dbraw/zinc/95/99/29/720959929.db2.gz NDVOPYOVJGKGCR-SESVDKBCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623961 720959931 /nfs/dbraw/zinc/95/99/31/720959931.db2.gz NDVOPYOVJGKGCR-SESVDKBCSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677657 721270530 /nfs/dbraw/zinc/27/05/30/721270530.db2.gz FTWUFXFRTGOPQD-ROUUACIJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677657 721270534 /nfs/dbraw/zinc/27/05/34/721270534.db2.gz FTWUFXFRTGOPQD-ROUUACIJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831222 721303384 /nfs/dbraw/zinc/30/33/84/721303384.db2.gz JIRAOYGRQQKOOE-QGZVKYPTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831222 721303387 /nfs/dbraw/zinc/30/33/87/721303387.db2.gz JIRAOYGRQQKOOE-QGZVKYPTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992171906 725587307 /nfs/dbraw/zinc/58/73/07/725587307.db2.gz ZCYXUBPROCQXJC-TZIWHRDSSA-N 1 3 341.499 2.704 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947952 728304794 /nfs/dbraw/zinc/30/47/94/728304794.db2.gz JORYXVIEXTZOEO-HDICACEKSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCOc1ccc(Br)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC001574735692 1088061921 /nfs/dbraw/zinc/06/19/21/1088061921.db2.gz MKFQPBFWWRUYLL-MRXNPFEDSA-N 1 3 349.272 2.693 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001574902792 1088145363 /nfs/dbraw/zinc/14/53/63/1088145363.db2.gz GXUNIZWCIMHGMQ-OALUTQOASA-N 1 3 329.488 2.932 20 30 EFEDHO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC001577526858 1090036098 /nfs/dbraw/zinc/03/60/98/1090036098.db2.gz HHNGJNVIUPWGCJ-SFTDATJTSA-N 1 3 337.467 2.701 20 30 EFEDHO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC001577526858 1090036112 /nfs/dbraw/zinc/03/61/12/1090036112.db2.gz HHNGJNVIUPWGCJ-SFTDATJTSA-N 1 3 337.467 2.701 20 30 EFEDHO C[NH2+]Cc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001578741159 1090431197 /nfs/dbraw/zinc/43/11/97/1090431197.db2.gz GPOFMDUSDYQWMW-UHFFFAOYSA-N 1 3 345.450 2.968 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CCCCC#N ZINC001579738556 1090675769 /nfs/dbraw/zinc/67/57/69/1090675769.db2.gz QWSIJCFDKAPBGA-JENIJYKNSA-N 1 3 340.471 2.541 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CCCCC#N ZINC001579738556 1090675773 /nfs/dbraw/zinc/67/57/73/1090675773.db2.gz QWSIJCFDKAPBGA-JENIJYKNSA-N 1 3 340.471 2.541 20 30 EFEDHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H]([NH3+])CCCCC#N ZINC001579738556 1090675776 /nfs/dbraw/zinc/67/57/76/1090675776.db2.gz QWSIJCFDKAPBGA-JENIJYKNSA-N 1 3 340.471 2.541 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448194 1092754110 /nfs/dbraw/zinc/75/41/10/1092754110.db2.gz QESYUXWPXBAYKM-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448194 1092754115 /nfs/dbraw/zinc/75/41/15/1092754115.db2.gz QESYUXWPXBAYKM-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448074 1092755806 /nfs/dbraw/zinc/75/58/06/1092755806.db2.gz NCWKKLDOJILZKH-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448074 1092755811 /nfs/dbraw/zinc/75/58/11/1092755811.db2.gz NCWKKLDOJILZKH-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449683 1092864439 /nfs/dbraw/zinc/86/44/39/1092864439.db2.gz PAVRAVLNSIVNLV-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449683 1092864446 /nfs/dbraw/zinc/86/44/46/1092864446.db2.gz PAVRAVLNSIVNLV-PKOBYXMFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454147 1093042107 /nfs/dbraw/zinc/04/21/07/1093042107.db2.gz MBULYVSYJFHCDO-XLIONFOSSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454147 1093042113 /nfs/dbraw/zinc/04/21/13/1093042113.db2.gz MBULYVSYJFHCDO-XLIONFOSSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454148 1093042373 /nfs/dbraw/zinc/04/23/73/1093042373.db2.gz MBULYVSYJFHCDO-YLJYHZDGSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454148 1093042379 /nfs/dbraw/zinc/04/23/79/1093042379.db2.gz MBULYVSYJFHCDO-YLJYHZDGSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458989 1093238595 /nfs/dbraw/zinc/23/85/95/1093238595.db2.gz VMFQAUZEEUSXJV-HKUYNNGSSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458989 1093238600 /nfs/dbraw/zinc/23/86/00/1093238600.db2.gz VMFQAUZEEUSXJV-HKUYNNGSSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957183 1095778591 /nfs/dbraw/zinc/77/85/91/1095778591.db2.gz FUPCEHXGWNXTFA-IBGZPJMESA-N 1 3 339.499 2.699 20 30 EFEDHO C=C(C)CC[N@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957183 1095778597 /nfs/dbraw/zinc/77/85/97/1095778597.db2.gz FUPCEHXGWNXTFA-IBGZPJMESA-N 1 3 339.499 2.699 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)CCC[NH+](C)C)CCCC[C@H]1C ZINC001481960144 1097009428 /nfs/dbraw/zinc/00/94/28/1097009428.db2.gz BKQIUYLGWCSQBM-PBHICJAKSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001482224126 1098183847 /nfs/dbraw/zinc/18/38/47/1098183847.db2.gz XFUAYBZZCANXPH-INIZCTEOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001482224126 1098183850 /nfs/dbraw/zinc/18/38/50/1098183850.db2.gz XFUAYBZZCANXPH-INIZCTEOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832650 1098716811 /nfs/dbraw/zinc/71/68/11/1098716811.db2.gz MDKNESOESXVWOO-RTBURBONSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001167742510 1099481150 /nfs/dbraw/zinc/48/11/50/1099481150.db2.gz MSPWVOLONLYSAC-JKSUJKDBSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001105058824 1099504498 /nfs/dbraw/zinc/50/44/98/1099504498.db2.gz ZUCLYOAMHIQHCM-NVXWUHKLSA-N 1 3 341.927 2.689 20 30 EFEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105066908 1099547750 /nfs/dbraw/zinc/54/77/50/1099547750.db2.gz GDBWYTMPGDBNDY-DJIMGWMZSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395607 1100554795 /nfs/dbraw/zinc/55/47/95/1100554795.db2.gz BIBSUNKEFKXBSC-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395607 1100554798 /nfs/dbraw/zinc/55/47/98/1100554798.db2.gz BIBSUNKEFKXBSC-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105395687 1100558345 /nfs/dbraw/zinc/55/83/45/1100558345.db2.gz CZHVSLIDWLGMGX-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105395687 1100558347 /nfs/dbraw/zinc/55/83/47/1100558347.db2.gz CZHVSLIDWLGMGX-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699122 1100678965 /nfs/dbraw/zinc/67/89/65/1100678965.db2.gz CIDHUSCBNYFMBG-ZCNNSNEGSA-N 1 3 345.531 2.776 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]1CC ZINC001087699122 1100678967 /nfs/dbraw/zinc/67/89/67/1100678967.db2.gz CIDHUSCBNYFMBG-ZCNNSNEGSA-N 1 3 345.531 2.776 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723295 1100701077 /nfs/dbraw/zinc/70/10/77/1100701077.db2.gz KENZJKNTBZQPHZ-FRQCXROJSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723295 1100701080 /nfs/dbraw/zinc/70/10/80/1100701080.db2.gz KENZJKNTBZQPHZ-FRQCXROJSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723295 1100701083 /nfs/dbraw/zinc/70/10/83/1100701083.db2.gz KENZJKNTBZQPHZ-FRQCXROJSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087723295 1100701089 /nfs/dbraw/zinc/70/10/89/1100701089.db2.gz KENZJKNTBZQPHZ-FRQCXROJSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385403 1101388256 /nfs/dbraw/zinc/38/82/56/1101388256.db2.gz BMEPTDXFEMMERA-INIZCTEOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385403 1101388265 /nfs/dbraw/zinc/38/82/65/1101388265.db2.gz BMEPTDXFEMMERA-INIZCTEOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232737 1102100688 /nfs/dbraw/zinc/10/06/88/1102100688.db2.gz OMLWHFAGUBAFNJ-SFHVURJKSA-N 1 3 335.536 2.951 20 30 EFEDHO C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482492771 1102266744 /nfs/dbraw/zinc/26/67/44/1102266744.db2.gz FHZCSWVKWDTURU-PBHICJAKSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001088329901 1102942123 /nfs/dbraw/zinc/94/21/23/1102942123.db2.gz KAVHGDZSZVDRBG-DLBZAZTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329901 1102942129 /nfs/dbraw/zinc/94/21/29/1102942129.db2.gz KAVHGDZSZVDRBG-DLBZAZTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001409773746 1103118114 /nfs/dbraw/zinc/11/81/14/1103118114.db2.gz VJEIPBSEZOZWDP-QGZVFWFLSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001409773665 1103121411 /nfs/dbraw/zinc/12/14/11/1103121411.db2.gz VJEIPBSEZOZWDP-KRWDZBQOSA-N 1 3 343.943 2.934 20 30 EFEDHO C=CCOC[C@]12CCCO[C@H]1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378559 1104119450 /nfs/dbraw/zinc/11/94/50/1104119450.db2.gz WLNVRCFEJDWTJX-LEWJYISDSA-N 1 3 348.531 2.935 20 30 EFEDHO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105563161 1105941987 /nfs/dbraw/zinc/94/19/87/1105941987.db2.gz GADLRHLQDUMRRJ-MOPGFXCFSA-N 1 3 345.531 2.635 20 30 EFEDHO C=CCC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302036 1106425828 /nfs/dbraw/zinc/42/58/28/1106425828.db2.gz GYEJZIIVINZJAH-UHFFFAOYSA-N 1 3 329.488 2.814 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)CC1 ZINC001168307951 1106523464 /nfs/dbraw/zinc/52/34/64/1106523464.db2.gz NQGYCYDHPALSTL-UHFFFAOYSA-N 1 3 347.547 2.644 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860520 1106750524 /nfs/dbraw/zinc/75/05/24/1106750524.db2.gz PGYWGEREXWONQA-GJYPPUQNSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860520 1106750537 /nfs/dbraw/zinc/75/05/37/1106750537.db2.gz PGYWGEREXWONQA-GJYPPUQNSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393359 1108333061 /nfs/dbraw/zinc/33/30/61/1108333061.db2.gz AZBRIISYRYXSPF-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040393359 1108333072 /nfs/dbraw/zinc/33/30/72/1108333072.db2.gz AZBRIISYRYXSPF-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133386 1108536640 /nfs/dbraw/zinc/53/66/40/1108536640.db2.gz LIASHPCBNUWIGY-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249400 1111219137 /nfs/dbraw/zinc/21/91/37/1111219137.db2.gz GLBWWGLSCQJLIS-QRQLOZEOSA-N 1 3 337.552 2.981 20 30 EFEDHO C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665521 1111708176 /nfs/dbraw/zinc/70/81/76/1111708176.db2.gz ZSAIECIWWXCIOR-CEXWTWQISA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729619 1111771467 /nfs/dbraw/zinc/77/14/67/1111771467.db2.gz VKLYKZKFZXKHNL-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486538 1112221401 /nfs/dbraw/zinc/22/14/01/1112221401.db2.gz ACGMLMTZSZQOCS-ZWKOTPCHSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089486538 1112221405 /nfs/dbraw/zinc/22/14/05/1112221405.db2.gz ACGMLMTZSZQOCS-ZWKOTPCHSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509881 1112259286 /nfs/dbraw/zinc/25/92/86/1112259286.db2.gz KHTIORLFDUYLLB-MOPGFXCFSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509881 1112259287 /nfs/dbraw/zinc/25/92/87/1112259287.db2.gz KHTIORLFDUYLLB-MOPGFXCFSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561168 1112310445 /nfs/dbraw/zinc/31/04/45/1112310445.db2.gz NRFFDNLXGVZKBY-LJQANCHMSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561168 1112310450 /nfs/dbraw/zinc/31/04/50/1112310450.db2.gz NRFFDNLXGVZKBY-LJQANCHMSA-N 1 3 347.547 2.594 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718053 1112935277 /nfs/dbraw/zinc/93/52/77/1112935277.db2.gz JSIHDKOXGAGOOS-SFHVURJKSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089806632 1113060830 /nfs/dbraw/zinc/06/08/30/1113060830.db2.gz RIPNZEHWZDPTAV-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089806632 1113060833 /nfs/dbraw/zinc/06/08/33/1113060833.db2.gz RIPNZEHWZDPTAV-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484830218 1117748734 /nfs/dbraw/zinc/74/87/34/1117748734.db2.gz NXYXWXZUTYISNF-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001484830218 1117748740 /nfs/dbraw/zinc/74/87/40/1117748740.db2.gz NXYXWXZUTYISNF-AZUAARDMSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821637 1117924087 /nfs/dbraw/zinc/92/40/87/1117924087.db2.gz WPGCTPSSEBXFFG-FFGOWVMKSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821637 1117924089 /nfs/dbraw/zinc/92/40/89/1117924089.db2.gz WPGCTPSSEBXFFG-FFGOWVMKSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCCCC[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001272699605 1118331767 /nfs/dbraw/zinc/33/17/67/1118331767.db2.gz LGVSYTIPBHLEFL-UHFFFAOYSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272699861 1118381016 /nfs/dbraw/zinc/38/10/16/1118381016.db2.gz OZQSMYLXSHTUQL-FQEVSTJZSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272699861 1118381021 /nfs/dbraw/zinc/38/10/21/1118381021.db2.gz OZQSMYLXSHTUQL-FQEVSTJZSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031155 1120522782 /nfs/dbraw/zinc/52/27/82/1120522782.db2.gz ZFTZAFGILOEEAM-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945031155 1120522787 /nfs/dbraw/zinc/52/27/87/1120522787.db2.gz ZFTZAFGILOEEAM-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945089884 1120560191 /nfs/dbraw/zinc/56/01/91/1120560191.db2.gz IRJVJIJWIMNDJX-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945089884 1120560196 /nfs/dbraw/zinc/56/01/96/1120560196.db2.gz IRJVJIJWIMNDJX-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945091559 1120567551 /nfs/dbraw/zinc/56/75/51/1120567551.db2.gz OKSKPUXTEYQHTH-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945091559 1120567555 /nfs/dbraw/zinc/56/75/55/1120567555.db2.gz OKSKPUXTEYQHTH-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C[NH+]=C(NCc1c[nH]nc1C)NCC1(N2CCCCC2)CCCCC1 ZINC000262584838 240361261 /nfs/dbraw/zinc/36/12/61/240361261.db2.gz RZFJACASCKXPFB-UHFFFAOYSA-N 1 3 346.523 2.572 20 30 EFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268969415 201229106 /nfs/dbraw/zinc/22/91/06/201229106.db2.gz MMJPKGUHHHBBKB-SFTDATJTSA-N 1 3 342.483 2.556 20 30 EFEDHO C[C@@H]1CN(CCC2CC[NH+](CCCSCC#N)CC2)C[C@@H](C)O1 ZINC000177506980 239377814 /nfs/dbraw/zinc/37/78/14/239377814.db2.gz ATXVJGQDJSLFDL-IAGOWNOFSA-N 1 3 339.549 2.845 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000192705983 240059311 /nfs/dbraw/zinc/05/93/11/240059311.db2.gz XOWJEFJPZJQWGB-PMACEKPBSA-N 1 3 326.488 2.606 20 30 EFEDHO [NH2+]=C(NC[C@@H]1CCCSC1)NC1CCN(Cc2ccccc2)CC1 ZINC000262293486 240345786 /nfs/dbraw/zinc/34/57/86/240345786.db2.gz HWDRNXIZBOCDGD-KRWDZBQOSA-N 1 3 346.544 2.699 20 30 EFEDHO N#Cc1ccc(CC(C#N)C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000294029429 241032008 /nfs/dbraw/zinc/03/20/08/241032008.db2.gz WLXUTIWEAYVVIU-LJQANCHMSA-N 1 3 338.455 2.623 20 30 EFEDHO COc1ccc(CN2CCC(CNC(=[NH2+])N3CCCCC3)CC2)cc1 ZINC000303867131 241197822 /nfs/dbraw/zinc/19/78/22/241197822.db2.gz CQHXTVUPLPEXPY-UHFFFAOYSA-N 1 3 344.503 2.708 20 30 EFEDHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306964 242066623 /nfs/dbraw/zinc/06/66/23/242066623.db2.gz BGZBINMCNOQKBP-UYAOXDASSA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306964 242066627 /nfs/dbraw/zinc/06/66/27/242066627.db2.gz BGZBINMCNOQKBP-UYAOXDASSA-N 1 3 325.456 2.703 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000358150824 242113829 /nfs/dbraw/zinc/11/38/29/242113829.db2.gz HJDPRYBBFPVMIZ-UHFFFAOYSA-N 1 3 336.524 2.591 20 30 EFEDHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074132 242088357 /nfs/dbraw/zinc/08/83/57/242088357.db2.gz FWLLHHAIPODBMQ-QGZVFWFLSA-N 1 3 348.535 2.581 20 30 EFEDHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1)CC1CC1 ZINC000357074132 242088378 /nfs/dbraw/zinc/08/83/78/242088378.db2.gz FWLLHHAIPODBMQ-QGZVFWFLSA-N 1 3 348.535 2.581 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363658569 242279390 /nfs/dbraw/zinc/27/93/90/242279390.db2.gz CJUDMOZONFYOFH-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363658569 242279393 /nfs/dbraw/zinc/27/93/93/242279393.db2.gz CJUDMOZONFYOFH-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438595 141385359 /nfs/dbraw/zinc/38/53/59/141385359.db2.gz HWNWJUPYNNDOMH-IIBYNOLFSA-N 1 3 335.451 2.976 20 30 EFEDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000248438595 141385363 /nfs/dbraw/zinc/38/53/63/141385363.db2.gz HWNWJUPYNNDOMH-IIBYNOLFSA-N 1 3 335.451 2.976 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000344171355 145384383 /nfs/dbraw/zinc/38/43/83/145384383.db2.gz RKAAPALOSMGZQI-SFHVURJKSA-N 1 3 328.504 2.969 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000344171355 145384384 /nfs/dbraw/zinc/38/43/84/145384384.db2.gz RKAAPALOSMGZQI-SFHVURJKSA-N 1 3 328.504 2.969 20 30 EFEDHO CC(C)N1CC[NH+](C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000270849235 265847546 /nfs/dbraw/zinc/84/75/46/265847546.db2.gz GKZVIURHEPCGIO-UHFFFAOYSA-N 1 3 326.488 2.549 20 30 EFEDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271966603 266150823 /nfs/dbraw/zinc/15/08/23/266150823.db2.gz VQSCWRRQPTYGSK-INIZCTEOSA-N 1 3 332.467 2.766 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960320 267180340 /nfs/dbraw/zinc/18/03/40/267180340.db2.gz QZUKNOVCHRBMHM-AGRHKRQWSA-N 1 3 331.435 2.726 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960326 267180413 /nfs/dbraw/zinc/18/04/13/267180413.db2.gz QZUKNOVCHRBMHM-FASAQXTFSA-N 1 3 331.435 2.726 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccc(C#N)c1 ZINC000271850143 267180508 /nfs/dbraw/zinc/18/05/08/267180508.db2.gz IOONTUKDGPXEFZ-RYGJVYDSSA-N 1 3 327.472 2.977 20 30 EFEDHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1C#N ZINC000332538883 267326328 /nfs/dbraw/zinc/32/63/28/267326328.db2.gz ZMOBBNYWSRVIKJ-UXHICEINSA-N 1 3 327.472 2.724 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000271852932 268065852 /nfs/dbraw/zinc/06/58/52/268065852.db2.gz IYDHKADTXODADK-RTWAWAEBSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852932 268065854 /nfs/dbraw/zinc/06/58/54/268065854.db2.gz IYDHKADTXODADK-RTWAWAEBSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852932 268065856 /nfs/dbraw/zinc/06/58/56/268065856.db2.gz IYDHKADTXODADK-RTWAWAEBSA-N 1 3 338.499 2.739 20 30 EFEDHO C[C@@H]1CN(CCC2(C#N)CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000411421606 274347322 /nfs/dbraw/zinc/34/73/22/274347322.db2.gz BFCDDXCGIVGOBI-GOSISDBHSA-N 1 3 332.536 2.951 20 30 EFEDHO C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC[C@H]1C ZINC000262492732 278218067 /nfs/dbraw/zinc/21/80/67/278218067.db2.gz JNLHHGIGPUAOHK-HLLBOEOZSA-N 1 3 330.476 2.677 20 30 EFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1F ZINC000349082761 279330080 /nfs/dbraw/zinc/33/00/80/279330080.db2.gz XNYSTUSCMXYUJH-SFHVURJKSA-N 1 3 332.467 2.545 20 30 EFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)cc1F ZINC000349082761 279330081 /nfs/dbraw/zinc/33/00/81/279330081.db2.gz XNYSTUSCMXYUJH-SFHVURJKSA-N 1 3 332.467 2.545 20 30 EFEDHO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCCN1 ZINC000566091112 319031567 /nfs/dbraw/zinc/03/15/67/319031567.db2.gz QFSDDDAHFFNKJX-UWWQBHOKSA-N 1 3 330.451 2.786 20 30 EFEDHO N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000576911149 320059513 /nfs/dbraw/zinc/05/95/13/320059513.db2.gz IHWABEQNUWKZFB-UNMCSNQZSA-N 1 3 347.462 2.902 20 30 EFEDHO N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000576911149 320059515 /nfs/dbraw/zinc/05/95/15/320059515.db2.gz IHWABEQNUWKZFB-UNMCSNQZSA-N 1 3 347.462 2.902 20 30 EFEDHO C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCCC[NH2+]1 ZINC000580541206 324184172 /nfs/dbraw/zinc/18/41/72/324184172.db2.gz NYYCFUBCNNLQQQ-AGERRDQYSA-N 1 3 328.460 2.763 20 30 EFEDHO N#Cc1ccc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c(F)c1 ZINC000580639800 324202780 /nfs/dbraw/zinc/20/27/80/324202780.db2.gz NWVADPJWGWTJLB-LVYZTWJOSA-N 1 3 328.435 2.539 20 30 EFEDHO CN(C)Cc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000083032079 473315860 /nfs/dbraw/zinc/31/58/60/473315860.db2.gz VMNVLKYPFCNVLY-SFHVURJKSA-N 1 3 338.455 2.676 20 30 EFEDHO C#CCN1CCC(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000069892508 472459195 /nfs/dbraw/zinc/45/91/95/472459195.db2.gz DUXLYKKONRQLJV-QGZVFWFLSA-N 1 3 341.499 2.577 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000106259472 472835731 /nfs/dbraw/zinc/83/57/31/472835731.db2.gz BDURLYXAQDZVAY-UHFFFAOYSA-N 1 3 344.503 2.588 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000106329208 472840733 /nfs/dbraw/zinc/84/07/33/472840733.db2.gz URVBBIIGIZNUCZ-QGZVFWFLSA-N 1 3 336.524 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000106329208 472840740 /nfs/dbraw/zinc/84/07/40/472840740.db2.gz URVBBIIGIZNUCZ-QGZVFWFLSA-N 1 3 336.524 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000113403928 473392731 /nfs/dbraw/zinc/39/27/31/473392731.db2.gz MBQXDPMJQWMBAR-GOSISDBHSA-N 1 3 336.524 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000113403928 473392741 /nfs/dbraw/zinc/39/27/41/473392741.db2.gz MBQXDPMJQWMBAR-GOSISDBHSA-N 1 3 336.524 2.591 20 30 EFEDHO N#Cc1csc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000177697289 473420046 /nfs/dbraw/zinc/42/00/46/473420046.db2.gz XEJILQBSXQKOKF-UHFFFAOYSA-N 1 3 341.480 2.866 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185782109 473513221 /nfs/dbraw/zinc/51/32/21/473513221.db2.gz QGBQXAMXPBUSCR-LEWJYISDSA-N 1 3 340.515 2.996 20 30 EFEDHO CN(C)CC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180026350 473780259 /nfs/dbraw/zinc/78/02/59/473780259.db2.gz IINANDHJBQMDLX-UHFFFAOYSA-N 1 3 325.460 2.636 20 30 EFEDHO Cc1cccc(N2CCN(CCCCNC(=[NH2+])NC(C)(C)C)CC2)c1 ZINC000264080882 473948354 /nfs/dbraw/zinc/94/83/54/473948354.db2.gz HFPSWVHOHBPQGA-UHFFFAOYSA-N 1 3 345.535 2.600 20 30 EFEDHO CCCCNC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000264094889 473949731 /nfs/dbraw/zinc/94/97/31/473949731.db2.gz MEONXWBCPTYTBB-UHFFFAOYSA-N 1 3 332.492 2.612 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264148345 473953920 /nfs/dbraw/zinc/95/39/20/473953920.db2.gz YNSLMPMZAYFRMJ-LBPRGKRZSA-N 1 3 330.354 2.796 20 30 EFEDHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181660065 474055044 /nfs/dbraw/zinc/05/50/44/474055044.db2.gz BTMWFSXZJRTNFZ-INIZCTEOSA-N 1 3 331.460 2.740 20 30 EFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248905820 474480274 /nfs/dbraw/zinc/48/02/74/474480274.db2.gz WNNHFEOYNJHMNA-HNAYVOBHSA-N 1 3 333.451 2.924 20 30 EFEDHO Cn1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C#N ZINC000283869861 474516703 /nfs/dbraw/zinc/51/67/03/474516703.db2.gz GPZRTUKMCDSTBC-UHFFFAOYSA-N 1 3 338.455 2.660 20 30 EFEDHO CC(C)CCNC(=[NH2+])NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000284209231 474595913 /nfs/dbraw/zinc/59/59/13/474595913.db2.gz ZKHSXZUSUSKNMS-UHFFFAOYSA-N 1 3 332.492 2.610 20 30 EFEDHO C=CCNC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291398509 474602772 /nfs/dbraw/zinc/60/27/72/474602772.db2.gz DOONKPNLDGEGEP-GOSISDBHSA-N 1 3 341.499 2.665 20 30 EFEDHO CCCCNC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267308206 474644244 /nfs/dbraw/zinc/64/42/44/474644244.db2.gz LMCKJFCCQIFAMO-UHFFFAOYSA-N 1 3 346.519 2.762 20 30 EFEDHO CC[C@H](C)NC(=[NH2+])NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000267336302 474651371 /nfs/dbraw/zinc/65/13/71/474651371.db2.gz PHKWAPWBVRBRAA-KRWDZBQOSA-N 1 3 346.519 2.761 20 30 EFEDHO CC(C)[NH+]1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279705176 474987297 /nfs/dbraw/zinc/98/72/97/474987297.db2.gz KCSPNMCHLLIJIB-GOSISDBHSA-N 1 3 338.455 2.572 20 30 EFEDHO CC(C)[NH+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280336662 475020583 /nfs/dbraw/zinc/02/05/83/475020583.db2.gz JOSZQOPOQORRKD-LJQANCHMSA-N 1 3 340.471 2.866 20 30 EFEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285953940 475047800 /nfs/dbraw/zinc/04/78/00/475047800.db2.gz GHVAUZBNYDEYKT-AWEZNQCLSA-N 1 3 329.444 2.709 20 30 EFEDHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280920811 475057691 /nfs/dbraw/zinc/05/76/91/475057691.db2.gz ODJZVFYBKIRMEC-RTBURBONSA-N 1 3 338.455 2.621 20 30 EFEDHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280920811 475057702 /nfs/dbraw/zinc/05/77/02/475057702.db2.gz ODJZVFYBKIRMEC-RTBURBONSA-N 1 3 338.455 2.621 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000339265706 475099441 /nfs/dbraw/zinc/09/94/41/475099441.db2.gz VGFYCOHIHVNIFQ-SFHVURJKSA-N 1 3 325.456 2.750 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000346306435 475581805 /nfs/dbraw/zinc/58/18/05/475581805.db2.gz NDQOEPWBJUITRD-RBUKOAKNSA-N 1 3 325.456 2.846 20 30 EFEDHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C#N)CCc1ccccc1 ZINC000342722359 475630927 /nfs/dbraw/zinc/63/09/27/475630927.db2.gz FJHRXCVVYGXBKO-BHIYHBOVSA-N 1 3 325.456 2.844 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@H]3O)CC1)CC2 ZINC000353241194 475797532 /nfs/dbraw/zinc/79/75/32/475797532.db2.gz LHRIFGACKDMRII-QHAWAJNXSA-N 1 3 339.483 2.903 20 30 EFEDHO C=CCN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358794399 475943956 /nfs/dbraw/zinc/94/39/56/475943956.db2.gz HGQPAHHCXWLHTC-QGZVFWFLSA-N 1 3 336.524 2.591 20 30 EFEDHO C=CCN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358794399 475943963 /nfs/dbraw/zinc/94/39/63/475943963.db2.gz HGQPAHHCXWLHTC-QGZVFWFLSA-N 1 3 336.524 2.591 20 30 EFEDHO C=CCOc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000349333005 475946130 /nfs/dbraw/zinc/94/61/30/475946130.db2.gz PPCXVTFJVKVBEN-GOSISDBHSA-N 1 3 343.515 2.852 20 30 EFEDHO C=CCOc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000349333006 475946909 /nfs/dbraw/zinc/94/69/09/475946909.db2.gz PPCXVTFJVKVBEN-SFHVURJKSA-N 1 3 343.515 2.852 20 30 EFEDHO CCN1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000350344551 476145099 /nfs/dbraw/zinc/14/50/99/476145099.db2.gz ZUOLCBXMDTUKAD-KRWDZBQOSA-N 1 3 337.471 2.780 20 30 EFEDHO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCCCN1 ZINC000422980543 476877264 /nfs/dbraw/zinc/87/72/64/476877264.db2.gz QFSDDDAHFFNKJX-QILLFSRXSA-N 1 3 330.451 2.786 20 30 EFEDHO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCCCN1 ZINC000422980545 476877747 /nfs/dbraw/zinc/87/77/47/476877747.db2.gz QFSDDDAHFFNKJX-ZVZYQTTQSA-N 1 3 330.451 2.786 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000415980680 476976626 /nfs/dbraw/zinc/97/66/26/476976626.db2.gz TYJIJYZUTSRRBI-SFHVURJKSA-N 1 3 330.476 2.965 20 30 EFEDHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424126023 477300130 /nfs/dbraw/zinc/30/01/30/477300130.db2.gz BAQXXDHXANEBHS-QAPCUYQASA-N 1 3 328.460 2.878 20 30 EFEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424126023 477300136 /nfs/dbraw/zinc/30/01/36/477300136.db2.gz BAQXXDHXANEBHS-QAPCUYQASA-N 1 3 328.460 2.878 20 30 EFEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424139357 477304511 /nfs/dbraw/zinc/30/45/11/477304511.db2.gz VDJBNPCBCDIDRQ-VQIMIIECSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424139357 477304518 /nfs/dbraw/zinc/30/45/18/477304518.db2.gz VDJBNPCBCDIDRQ-VQIMIIECSA-N 1 3 342.487 2.556 20 30 EFEDHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)CCCC#N)CCCC1)c1ccccc1 ZINC000424149877 477309469 /nfs/dbraw/zinc/30/94/69/477309469.db2.gz XSTIHVGSVOLMBC-AEFFLSMTSA-N 1 3 342.487 2.787 20 30 EFEDHO N#CCCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000424156665 477312102 /nfs/dbraw/zinc/31/21/02/477312102.db2.gz ONLFMYCIORIFHF-IBGZPJMESA-N 1 3 342.487 2.700 20 30 EFEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821062 477889596 /nfs/dbraw/zinc/88/95/96/477889596.db2.gz RDJDSSXRWSQCBM-QAPCUYQASA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000438821062 477889603 /nfs/dbraw/zinc/88/96/03/477889603.db2.gz RDJDSSXRWSQCBM-QAPCUYQASA-N 1 3 328.460 2.691 20 30 EFEDHO C=CCC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000438973771 477913413 /nfs/dbraw/zinc/91/34/13/477913413.db2.gz AMRJQZAOCFJGCB-HXUWFJFHSA-N 1 3 328.504 2.928 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000517191986 478060328 /nfs/dbraw/zinc/06/03/28/478060328.db2.gz LXOBAZRWKXXVHC-UHFFFAOYSA-N 1 3 336.524 2.543 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000517191986 478060334 /nfs/dbraw/zinc/06/03/34/478060334.db2.gz LXOBAZRWKXXVHC-UHFFFAOYSA-N 1 3 336.524 2.543 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000490913213 478402550 /nfs/dbraw/zinc/40/25/50/478402550.db2.gz CNTZEZJFGZRZKP-UHFFFAOYSA-N 1 3 339.483 2.607 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000490913213 478402554 /nfs/dbraw/zinc/40/25/54/478402554.db2.gz CNTZEZJFGZRZKP-UHFFFAOYSA-N 1 3 339.483 2.607 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000562988658 478403397 /nfs/dbraw/zinc/40/33/97/478403397.db2.gz AECONDRSTCNBAN-GUDVDZBRSA-N 1 3 332.488 2.617 20 30 EFEDHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710202 478474224 /nfs/dbraw/zinc/47/42/24/478474224.db2.gz JUASGVMEDQREOO-UYAOXDASSA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710202 478474229 /nfs/dbraw/zinc/47/42/29/478474229.db2.gz JUASGVMEDQREOO-UYAOXDASSA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710201 478474947 /nfs/dbraw/zinc/47/49/47/478474947.db2.gz JUASGVMEDQREOO-QUCCMNQESA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710201 478474953 /nfs/dbraw/zinc/47/49/53/478474953.db2.gz JUASGVMEDQREOO-QUCCMNQESA-N 1 3 325.456 2.703 20 30 EFEDHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C#N)cc1Cl ZINC000582040236 478495023 /nfs/dbraw/zinc/49/50/23/478495023.db2.gz MHQDGMFBIFEWSO-HNNXBMFYSA-N 1 3 334.895 2.890 20 30 EFEDHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570790 478583972 /nfs/dbraw/zinc/58/39/72/478583972.db2.gz OHEWISPXKMEPJU-APWZRJJASA-N 1 3 341.503 2.822 20 30 EFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000601967077 479099421 /nfs/dbraw/zinc/09/94/21/479099421.db2.gz HRUKNLIEXHEVQL-NEWSRXKRSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC(C)(C)C#N ZINC000601967077 479099430 /nfs/dbraw/zinc/09/94/30/479099430.db2.gz HRUKNLIEXHEVQL-NEWSRXKRSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC(C)(C)C#N ZINC000601967077 479099435 /nfs/dbraw/zinc/09/94/35/479099435.db2.gz HRUKNLIEXHEVQL-NEWSRXKRSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000602019094 479141800 /nfs/dbraw/zinc/14/18/00/479141800.db2.gz APCSEYIHLLNTBH-CYBMUJFWSA-N 1 3 325.391 2.675 20 30 EFEDHO CC(C)N1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954667 479216897 /nfs/dbraw/zinc/21/68/97/479216897.db2.gz XCFMFKHNWNCLJV-HXUWFJFHSA-N 1 3 340.515 2.843 20 30 EFEDHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320212 479293903 /nfs/dbraw/zinc/29/39/03/479293903.db2.gz AQXLJKLQHPUNTK-UZLBHIALSA-N 1 3 326.488 2.500 20 30 EFEDHO CN1CCCN(CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392127 479366351 /nfs/dbraw/zinc/36/63/51/479366351.db2.gz MEWLFFIAUGGKOY-FQEVSTJZSA-N 1 3 326.488 2.553 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602515801 479377415 /nfs/dbraw/zinc/37/74/15/479377415.db2.gz YDRLTVCMOPZVFU-SFHVURJKSA-N 1 3 328.504 2.854 20 30 EFEDHO C[C@@H](CC1(C#N)CCOCC1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000602595341 479415218 /nfs/dbraw/zinc/41/52/18/479415218.db2.gz YQIWOHNBQWCUDS-SFHVURJKSA-N 1 3 349.519 2.710 20 30 EFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597054446 479551553 /nfs/dbraw/zinc/55/15/53/479551553.db2.gz ZCZZJXSGTVJWRC-SFHVURJKSA-N 1 3 348.535 2.725 20 30 EFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597054446 479551562 /nfs/dbraw/zinc/55/15/62/479551562.db2.gz ZCZZJXSGTVJWRC-SFHVURJKSA-N 1 3 348.535 2.725 20 30 EFEDHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C#N)CCCCC3)CC2)CC1 ZINC000576716135 479583541 /nfs/dbraw/zinc/58/35/41/479583541.db2.gz RINZKRPIDQBQHA-UHFFFAOYSA-N 1 3 346.519 2.525 20 30 EFEDHO C=CC[C@@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000617779193 480360855 /nfs/dbraw/zinc/36/08/55/480360855.db2.gz WZRRKHFHTCFVIL-GOSISDBHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2c1CNC2)C(C)C ZINC000662380754 481772435 /nfs/dbraw/zinc/77/24/35/481772435.db2.gz PSUJMXMPYSWDRI-LJQANCHMSA-N 1 3 327.472 2.718 20 30 EFEDHO C=CC[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000660573542 482034063 /nfs/dbraw/zinc/03/40/63/482034063.db2.gz IFDDUJYOZVKWMT-KRWDZBQOSA-N 1 3 348.535 2.543 20 30 EFEDHO C=CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccco1 ZINC000414192654 534795653 /nfs/dbraw/zinc/79/56/53/534795653.db2.gz MABWJDNYJZEHBF-GOSISDBHSA-N 1 3 347.503 2.673 20 30 EFEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171714435 526445316 /nfs/dbraw/zinc/44/53/16/526445316.db2.gz RNJZNLPNGLYOBO-IBGZPJMESA-N 1 3 341.499 2.665 20 30 EFEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171714435 526445320 /nfs/dbraw/zinc/44/53/20/526445320.db2.gz RNJZNLPNGLYOBO-IBGZPJMESA-N 1 3 341.499 2.665 20 30 EFEDHO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000177904788 526452252 /nfs/dbraw/zinc/45/22/52/526452252.db2.gz GJZYGPWRGIQPDY-KRWDZBQOSA-N 1 3 331.504 2.928 20 30 EFEDHO C=C(C)C[NH+]1CCC(NCc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000174363483 526601710 /nfs/dbraw/zinc/60/17/10/526601710.db2.gz KTPKXFMSNVSGNI-UHFFFAOYSA-N 1 3 325.460 2.706 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCN(CCC)CC1 ZINC000177050735 527261278 /nfs/dbraw/zinc/26/12/78/527261278.db2.gz XOMPSOGHZPQBGU-FQEVSTJZSA-N 1 3 346.515 2.961 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCN(CCC)CC1 ZINC000177050735 527261281 /nfs/dbraw/zinc/26/12/81/527261281.db2.gz XOMPSOGHZPQBGU-FQEVSTJZSA-N 1 3 346.515 2.961 20 30 EFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000174399909 528663457 /nfs/dbraw/zinc/66/34/57/528663457.db2.gz YURRFLFYDXTPPE-VQIMIIECSA-N 1 3 345.487 2.793 20 30 EFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000174399894 528667216 /nfs/dbraw/zinc/66/72/16/528667216.db2.gz YURRFLFYDXTPPE-APWZRJJASA-N 1 3 345.487 2.793 20 30 EFEDHO CC(C)[C@]1(C)C[C@H]1NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000263137063 535290742 /nfs/dbraw/zinc/29/07/42/535290742.db2.gz NTSCWPLKRBCWMQ-QUCCMNQESA-N 1 3 328.504 2.990 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000262461705 535550000 /nfs/dbraw/zinc/55/00/00/535550000.db2.gz MPMRZUJYLHQTLZ-DJIMGWMZSA-N 1 3 334.895 2.975 20 30 EFEDHO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000719925774 1251376849 /nfs/dbraw/zinc/37/68/49/1251376849.db2.gz PWVDWGJCFDYRDX-OALUTQOASA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000719925774 1251376860 /nfs/dbraw/zinc/37/68/60/1251376860.db2.gz PWVDWGJCFDYRDX-OALUTQOASA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000719925774 1251376872 /nfs/dbraw/zinc/37/68/72/1251376872.db2.gz PWVDWGJCFDYRDX-OALUTQOASA-N 1 3 342.487 2.521 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299982 1255184942 /nfs/dbraw/zinc/18/49/42/1255184942.db2.gz HWULHVLJTYLFHY-DNVCBOLYSA-N 1 3 339.499 2.602 20 30 EFEDHO C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CN(CC)CC)C1)C1CCCC1 ZINC001098819623 1255723027 /nfs/dbraw/zinc/72/30/27/1255723027.db2.gz BSZOHPWOEUJPPW-UYAOXDASSA-N 1 3 347.547 2.739 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407809 1255755456 /nfs/dbraw/zinc/75/54/56/1255755456.db2.gz GRSHYHOCWGXTEY-WIYYLYMNSA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCCC3)CCC[C@@H]12 ZINC001107407809 1255755465 /nfs/dbraw/zinc/75/54/65/1255755465.db2.gz GRSHYHOCWGXTEY-WIYYLYMNSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CN(C)CCC)C1)C1CCCC1 ZINC001098820239 1255817549 /nfs/dbraw/zinc/81/75/49/1255817549.db2.gz HBPKKRDGEUCTJG-QUCCMNQESA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC000997435089 1257580291 /nfs/dbraw/zinc/58/02/91/1257580291.db2.gz VBFYJBJXJAPBDO-QZTJIDSGSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000997874873 1258557687 /nfs/dbraw/zinc/55/76/87/1258557687.db2.gz SXKPJHZXKQRMSY-SFHVURJKSA-N 1 3 347.547 2.594 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998102204 1259113064 /nfs/dbraw/zinc/11/30/64/1259113064.db2.gz LHSDOIAUTDRSQJ-WOJBJXKFSA-N 1 3 347.547 2.835 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998102204 1259113069 /nfs/dbraw/zinc/11/30/69/1259113069.db2.gz LHSDOIAUTDRSQJ-WOJBJXKFSA-N 1 3 347.547 2.835 20 30 EFEDHO C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000998190480 1259213449 /nfs/dbraw/zinc/21/34/49/1259213449.db2.gz QDBBKXHDYZAQIZ-HXUWFJFHSA-N 1 3 341.499 2.698 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000999671569 1260816572 /nfs/dbraw/zinc/81/65/72/1260816572.db2.gz KAGWAEZBFDSAJB-OFLPRAFFSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999671569 1260816575 /nfs/dbraw/zinc/81/65/75/1260816575.db2.gz KAGWAEZBFDSAJB-OFLPRAFFSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078626169 1262074033 /nfs/dbraw/zinc/07/40/33/1262074033.db2.gz LWQJOTHUDMVBLS-SJORKVTESA-N 1 3 333.520 2.844 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486220498 1262823756 /nfs/dbraw/zinc/82/37/56/1262823756.db2.gz LWDPURCLHBMXLM-QAPCUYQASA-N 1 3 349.906 2.989 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941235 1264716603 /nfs/dbraw/zinc/71/66/03/1264716603.db2.gz WMFFREVVGYZGCG-GGPKGHCWSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941235 1264716608 /nfs/dbraw/zinc/71/66/08/1264716608.db2.gz WMFFREVVGYZGCG-GGPKGHCWSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084958154 1264764338 /nfs/dbraw/zinc/76/43/38/1264764338.db2.gz NUYRMOKUAHMTML-QRQLOZEOSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084958154 1264764345 /nfs/dbraw/zinc/76/43/45/1264764345.db2.gz NUYRMOKUAHMTML-QRQLOZEOSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001085014544 1264927794 /nfs/dbraw/zinc/92/77/94/1264927794.db2.gz LSFALCANLDLCBI-HOJAQTOUSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001085014544 1264927800 /nfs/dbraw/zinc/92/78/00/1264927800.db2.gz LSFALCANLDLCBI-HOJAQTOUSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049764 1265030038 /nfs/dbraw/zinc/03/00/38/1265030038.db2.gz XVWHNLIYKKSTGA-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049764 1265030044 /nfs/dbraw/zinc/03/00/44/1265030044.db2.gz XVWHNLIYKKSTGA-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456781 1267085948 /nfs/dbraw/zinc/08/59/48/1267085948.db2.gz HYTJPQKFMRFVAJ-RBUKOAKNSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456781 1267085959 /nfs/dbraw/zinc/08/59/59/1267085959.db2.gz HYTJPQKFMRFVAJ-RBUKOAKNSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001085332328 1267180595 /nfs/dbraw/zinc/18/05/95/1267180595.db2.gz SXBXIIIMRMQZNQ-MDZRGWNJSA-N 1 3 339.499 2.792 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539896 1267281335 /nfs/dbraw/zinc/28/13/35/1267281335.db2.gz IIAMPKKZBMCNRL-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004539896 1267281340 /nfs/dbraw/zinc/28/13/40/1267281340.db2.gz IIAMPKKZBMCNRL-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004584857 1267339429 /nfs/dbraw/zinc/33/94/29/1267339429.db2.gz BGQKSYKFBSJRDY-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004584857 1267339437 /nfs/dbraw/zinc/33/94/37/1267339437.db2.gz BGQKSYKFBSJRDY-IBGZPJMESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585545 1267340416 /nfs/dbraw/zinc/34/04/16/1267340416.db2.gz GSSVVQSOVFIUNB-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585545 1267340425 /nfs/dbraw/zinc/34/04/25/1267340425.db2.gz GSSVVQSOVFIUNB-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004618522 1267413439 /nfs/dbraw/zinc/41/34/39/1267413439.db2.gz FRSTVPVHXMFRND-PMACEKPBSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004618522 1267413442 /nfs/dbraw/zinc/41/34/42/1267413442.db2.gz FRSTVPVHXMFRND-PMACEKPBSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598103 1267962061 /nfs/dbraw/zinc/96/20/61/1267962061.db2.gz MYRMGIHPDIUOFA-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598103 1267962067 /nfs/dbraw/zinc/96/20/67/1267962067.db2.gz MYRMGIHPDIUOFA-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742291 1268392438 /nfs/dbraw/zinc/39/24/38/1268392438.db2.gz NHMXUTDPZAGVMU-GOSISDBHSA-N 1 3 329.488 2.513 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034047086 1270958273 /nfs/dbraw/zinc/95/82/73/1270958273.db2.gz YMHXVSHCWLHFOR-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034047086 1270958277 /nfs/dbraw/zinc/95/82/77/1270958277.db2.gz YMHXVSHCWLHFOR-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398662 1271894678 /nfs/dbraw/zinc/89/46/78/1271894678.db2.gz PDMMCMSZCZNVNQ-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398662 1271894701 /nfs/dbraw/zinc/89/47/01/1271894701.db2.gz PDMMCMSZCZNVNQ-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398660 1271894886 /nfs/dbraw/zinc/89/48/86/1271894886.db2.gz PDMMCMSZCZNVNQ-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398660 1271894899 /nfs/dbraw/zinc/89/48/99/1271894899.db2.gz PDMMCMSZCZNVNQ-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398657 1271895488 /nfs/dbraw/zinc/89/54/88/1271895488.db2.gz PDMMCMSZCZNVNQ-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398657 1271895505 /nfs/dbraw/zinc/89/55/05/1271895505.db2.gz PDMMCMSZCZNVNQ-APWZRJJASA-N 1 3 339.499 2.746 20 30 EFEDHO C=C(C)CN1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478888 1272078210 /nfs/dbraw/zinc/07/82/10/1272078210.db2.gz PRRZZFDDIXQQAG-IBGZPJMESA-N 1 3 333.520 2.655 20 30 EFEDHO C=C(C)CN1CC[C@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273136304 1272562488 /nfs/dbraw/zinc/56/24/88/1272562488.db2.gz LCSSUQNDPFHZAH-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273136304 1272562498 /nfs/dbraw/zinc/56/24/98/1272562498.db2.gz LCSSUQNDPFHZAH-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001034795818 1272979882 /nfs/dbraw/zinc/97/98/82/1272979882.db2.gz UKMNKXYYUDRFEI-IYARVYRRSA-N 1 3 329.488 2.955 20 30 EFEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001108830829 1273521694 /nfs/dbraw/zinc/52/16/94/1273521694.db2.gz YLJSANCUXHBQEH-IHPCNDPISA-N 1 3 341.499 2.907 20 30 EFEDHO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260319 1273954796 /nfs/dbraw/zinc/95/47/96/1273954796.db2.gz UAGIPSMPPLWXAD-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260319 1273954806 /nfs/dbraw/zinc/95/48/06/1273954806.db2.gz UAGIPSMPPLWXAD-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555412 1274424188 /nfs/dbraw/zinc/42/41/88/1274424188.db2.gz POMRYKUGXWSRQW-XWSJACJDSA-N 1 3 331.504 2.549 20 30 EFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555412 1274424192 /nfs/dbraw/zinc/42/41/92/1274424192.db2.gz POMRYKUGXWSRQW-XWSJACJDSA-N 1 3 331.504 2.549 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036302080 1275383013 /nfs/dbraw/zinc/38/30/13/1275383013.db2.gz HUJJMBNMHBDPOC-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000746674670 1275750299 /nfs/dbraw/zinc/75/02/99/1275750299.db2.gz IFYNXGJVKJUPAU-LJQANCHMSA-N 1 3 331.460 2.522 20 30 EFEDHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135996774 1276287343 /nfs/dbraw/zinc/28/73/43/1276287343.db2.gz VQLOWZZSPLNNPJ-DLBZAZTESA-N 1 3 344.503 2.663 20 30 EFEDHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135996774 1276287345 /nfs/dbraw/zinc/28/73/45/1276287345.db2.gz VQLOWZZSPLNNPJ-DLBZAZTESA-N 1 3 344.503 2.663 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001005873083 1276562227 /nfs/dbraw/zinc/56/22/27/1276562227.db2.gz JGPWFBJDKFGWKF-IBGZPJMESA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873083 1276562230 /nfs/dbraw/zinc/56/22/30/1276562230.db2.gz JGPWFBJDKFGWKF-IBGZPJMESA-N 1 3 333.520 2.892 20 30 EFEDHO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000819016482 1276590898 /nfs/dbraw/zinc/59/08/98/1276590898.db2.gz ZQZOHYQIBHGWND-UNMCSNQZSA-N 1 3 349.478 2.746 20 30 EFEDHO CN(C)CC[NH+](CCN(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387626 1279061493 /nfs/dbraw/zinc/06/14/93/1279061493.db2.gz XXJFXLWGYMJPHA-UHFFFAOYSA-N 1 3 342.531 2.816 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175272700 1287387323 /nfs/dbraw/zinc/38/73/23/1287387323.db2.gz LNNICRJPWSCGFU-HNNXBMFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610139 1280950820 /nfs/dbraw/zinc/95/08/20/1280950820.db2.gz HTMXLDDYMIINLP-ZWKOTPCHSA-N 1 3 335.536 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610112 1280950834 /nfs/dbraw/zinc/95/08/34/1280950834.db2.gz HEOIZFHORZQVFR-MOPGFXCFSA-N 1 3 347.547 2.951 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613700 1280951809 /nfs/dbraw/zinc/95/18/09/1280951809.db2.gz UPBNRSHUSXSBPB-ZWKOTPCHSA-N 1 3 347.547 2.785 20 30 EFEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723491 1281246610 /nfs/dbraw/zinc/24/66/10/1281246610.db2.gz BOJSLARIZJBIPM-SFHVURJKSA-N 1 3 335.536 2.831 20 30 EFEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723491 1281246618 /nfs/dbraw/zinc/24/66/18/1281246618.db2.gz BOJSLARIZJBIPM-SFHVURJKSA-N 1 3 335.536 2.831 20 30 EFEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723487 1281246820 /nfs/dbraw/zinc/24/68/20/1281246820.db2.gz BOJSLARIZJBIPM-GOSISDBHSA-N 1 3 335.536 2.831 20 30 EFEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723487 1281246827 /nfs/dbraw/zinc/24/68/27/1281246827.db2.gz BOJSLARIZJBIPM-GOSISDBHSA-N 1 3 335.536 2.831 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672019 1281394078 /nfs/dbraw/zinc/39/40/78/1281394078.db2.gz CVTVVEBXFKKMQW-XLIONFOSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672019 1281394090 /nfs/dbraw/zinc/39/40/90/1281394090.db2.gz CVTVVEBXFKKMQW-XLIONFOSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458347 1281559002 /nfs/dbraw/zinc/55/90/02/1281559002.db2.gz NOBXAEBFGNXIDK-UHFFFAOYSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148458347 1281559011 /nfs/dbraw/zinc/55/90/11/1281559011.db2.gz NOBXAEBFGNXIDK-UHFFFAOYSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942191 1281972277 /nfs/dbraw/zinc/97/22/77/1281972277.db2.gz KVPGGXHAJPQGQI-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361296 1283783530 /nfs/dbraw/zinc/78/35/30/1283783530.db2.gz JVIIEGOWBWLQTB-MOPGFXCFSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361296 1283783538 /nfs/dbraw/zinc/78/35/38/1283783538.db2.gz JVIIEGOWBWLQTB-MOPGFXCFSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377050 1283828808 /nfs/dbraw/zinc/82/88/08/1283828808.db2.gz FQBGYIZHZIBYIL-MOPGFXCFSA-N 1 3 347.547 2.852 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377050 1283828817 /nfs/dbraw/zinc/82/88/17/1283828817.db2.gz FQBGYIZHZIBYIL-MOPGFXCFSA-N 1 3 347.547 2.852 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093378987 1283835260 /nfs/dbraw/zinc/83/52/60/1283835260.db2.gz XJOBZMMMFKHGED-ZWKOTPCHSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093378987 1283835268 /nfs/dbraw/zinc/83/52/68/1283835268.db2.gz XJOBZMMMFKHGED-ZWKOTPCHSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379490 1283839501 /nfs/dbraw/zinc/83/95/01/1283839501.db2.gz AMFANZCPEAUADU-OALUTQOASA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379490 1283839510 /nfs/dbraw/zinc/83/95/10/1283839510.db2.gz AMFANZCPEAUADU-OALUTQOASA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382961 1283853514 /nfs/dbraw/zinc/85/35/14/1283853514.db2.gz GSDUEMLICBKITE-FQEVSTJZSA-N 1 3 345.531 2.751 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093382961 1283853524 /nfs/dbraw/zinc/85/35/24/1283853524.db2.gz GSDUEMLICBKITE-FQEVSTJZSA-N 1 3 345.531 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036854185 1284330491 /nfs/dbraw/zinc/33/04/91/1284330491.db2.gz HNQUTXORERSIAI-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036854185 1284330503 /nfs/dbraw/zinc/33/05/03/1284330503.db2.gz HNQUTXORERSIAI-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133120807 1284830270 /nfs/dbraw/zinc/83/02/70/1284830270.db2.gz BHDWQDRPFDBMOV-ZBFHGGJFSA-N 1 3 343.943 2.791 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120783 1284830617 /nfs/dbraw/zinc/83/06/17/1284830617.db2.gz AYPMBROLSGIARV-ZWKOTPCHSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135915 1284851213 /nfs/dbraw/zinc/85/12/13/1284851213.db2.gz ZCSZENIWLIIJNL-IRXDYDNUSA-N 1 3 332.492 2.773 20 30 EFEDHO C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)N(C)C ZINC001133405674 1285360124 /nfs/dbraw/zinc/36/01/24/1285360124.db2.gz KUHMADDCRQHSEK-SFHVURJKSA-N 1 3 349.906 2.622 20 30 EFEDHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001171500244 1285608113 /nfs/dbraw/zinc/60/81/13/1285608113.db2.gz JLAWGLZBXSDUHT-UYAOXDASSA-N 1 3 343.515 2.643 20 30 EFEDHO CCCCCCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856818 1286032831 /nfs/dbraw/zinc/03/28/31/1286032831.db2.gz RUXHCYUPTLNUNC-GOSISDBHSA-N 1 3 329.504 2.875 20 30 EFEDHO CCOC(=O)C1(C#N)CCN(C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173113438 1286415110 /nfs/dbraw/zinc/41/51/10/1286415110.db2.gz QFWDJRUZJLNCPA-UHFFFAOYSA-N 1 3 335.492 2.808 20 30 EFEDHO C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CCC ZINC001176278896 1287921175 /nfs/dbraw/zinc/92/11/75/1287921175.db2.gz JUGUYSRLDYQEAB-CQSZACIVSA-N 1 3 348.329 2.501 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC)CC1 ZINC001176737079 1288087381 /nfs/dbraw/zinc/08/73/81/1288087381.db2.gz HGPGDJDNPUBISL-QZTJIDSGSA-N 1 3 335.536 2.642 20 30 EFEDHO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176736844 1288088142 /nfs/dbraw/zinc/08/81/42/1288088142.db2.gz FTEFEFPWTUPMOU-QGZVFWFLSA-N 1 3 329.488 2.650 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCCC=C)CC1 ZINC001176738224 1288088952 /nfs/dbraw/zinc/08/89/52/1288088952.db2.gz PTSPGZSBPKDJLG-GOSISDBHSA-N 1 3 333.520 2.562 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001176738346 1288089264 /nfs/dbraw/zinc/08/92/64/1288089264.db2.gz QTAOSQSXSXNUKJ-OALUTQOASA-N 1 3 347.547 2.951 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001176753948 1288120276 /nfs/dbraw/zinc/12/02/76/1288120276.db2.gz OQOUDXHBWRIYRL-QGZVFWFLSA-N 1 3 344.503 2.663 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176754348 1288120597 /nfs/dbraw/zinc/12/05/97/1288120597.db2.gz TWIVMLPUCKFAGE-QGZVFWFLSA-N 1 3 344.503 2.663 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176754188 1288120754 /nfs/dbraw/zinc/12/07/54/1288120754.db2.gz SSAMROJRJKMLFB-KRWDZBQOSA-N 1 3 344.503 2.663 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001176926186 1288175937 /nfs/dbraw/zinc/17/59/37/1288175937.db2.gz IJQLEZDTNFNCQR-UHFFFAOYSA-N 1 3 347.547 2.644 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(C)C ZINC001177317177 1288385464 /nfs/dbraw/zinc/38/54/64/1288385464.db2.gz PHTVGJFKTYMHNL-FQEVSTJZSA-N 1 3 347.547 2.881 20 30 EFEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001177416017 1288424570 /nfs/dbraw/zinc/42/45/70/1288424570.db2.gz REORCMBZRCVVSO-GOSISDBHSA-N 1 3 335.536 2.903 20 30 EFEDHO C=CCCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539339 1289183625 /nfs/dbraw/zinc/18/36/25/1289183625.db2.gz VKKVCJFMOJNULK-BXWFABGCSA-N 1 3 339.499 2.744 20 30 EFEDHO CCN(CC)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001179846793 1289284828 /nfs/dbraw/zinc/28/48/28/1289284828.db2.gz WJWFWWVNPIJFMC-UHFFFAOYSA-N 1 3 343.515 2.646 20 30 EFEDHO C=C(Br)C[NH2+]CCCCCCNC(=O)CN(C)CCC ZINC001180121381 1289424709 /nfs/dbraw/zinc/42/47/09/1289424709.db2.gz NDXWRHIFQJQNLA-UHFFFAOYSA-N 1 3 348.329 2.503 20 30 EFEDHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001180121426 1289424870 /nfs/dbraw/zinc/42/48/70/1289424870.db2.gz OKSIEPSZSFGLIY-UHFFFAOYSA-N 1 3 344.503 2.666 20 30 EFEDHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC#Cc1ccccc1 ZINC001180123277 1289426308 /nfs/dbraw/zinc/42/63/08/1289426308.db2.gz FBJAWPJPZLMFJV-UHFFFAOYSA-N 1 3 343.515 2.646 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+][C@H](C)CCC=C)CC1 ZINC001180360623 1289494607 /nfs/dbraw/zinc/49/46/07/1289494607.db2.gz KOGGERGGIMEUOB-LJQANCHMSA-N 1 3 347.547 2.953 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC=C(C)C)CC1 ZINC001180360859 1289495807 /nfs/dbraw/zinc/49/58/07/1289495807.db2.gz ODTDMFAVMIIRLM-UHFFFAOYSA-N 1 3 333.520 2.564 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001166403554 1312771922 /nfs/dbraw/zinc/77/19/22/1312771922.db2.gz IYOVJVCTGPGNBN-UHFFFAOYSA-N 1 3 341.927 2.880 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001184714364 1290498200 /nfs/dbraw/zinc/49/82/00/1290498200.db2.gz XYJZRZTWRYNSTM-UKRRQHHQSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876776473 1291018561 /nfs/dbraw/zinc/01/85/61/1291018561.db2.gz NXHCDPDIJLCZQU-ZWKOTPCHSA-N 1 3 349.906 2.827 20 30 EFEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876776473 1291018571 /nfs/dbraw/zinc/01/85/71/1291018571.db2.gz NXHCDPDIJLCZQU-ZWKOTPCHSA-N 1 3 349.906 2.827 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000957598598 1291843952 /nfs/dbraw/zinc/84/39/52/1291843952.db2.gz BEYWTSXCIQNDTQ-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000957598978 1291845389 /nfs/dbraw/zinc/84/53/89/1291845389.db2.gz UYDVOBINBIPODU-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475749 1312902930 /nfs/dbraw/zinc/90/29/30/1312902930.db2.gz ARHOODDAGLKMOS-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475749 1312902934 /nfs/dbraw/zinc/90/29/34/1312902934.db2.gz ARHOODDAGLKMOS-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479051 1312908691 /nfs/dbraw/zinc/90/86/91/1312908691.db2.gz XHONWSADRQKUNU-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479051 1312908694 /nfs/dbraw/zinc/90/86/94/1312908694.db2.gz XHONWSADRQKUNU-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839450 1292813301 /nfs/dbraw/zinc/81/33/01/1292813301.db2.gz AZAWLPQUODVKHU-DZFIZOCASA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839450 1292813318 /nfs/dbraw/zinc/81/33/18/1292813318.db2.gz AZAWLPQUODVKHU-DZFIZOCASA-N 1 3 335.536 2.757 20 30 EFEDHO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848705 1292999330 /nfs/dbraw/zinc/99/93/30/1292999330.db2.gz DWBAQYVQEMQBAG-DZFIZOCASA-N 1 3 337.552 2.981 20 30 EFEDHO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848705 1292999337 /nfs/dbraw/zinc/99/93/37/1292999337.db2.gz DWBAQYVQEMQBAG-DZFIZOCASA-N 1 3 337.552 2.981 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000882948736 1293398113 /nfs/dbraw/zinc/39/81/13/1293398113.db2.gz JPESCRZBUNYDLH-UHFFFAOYSA-N 1 3 339.483 2.956 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773329 1313011378 /nfs/dbraw/zinc/01/13/78/1313011378.db2.gz VPZXYKJDLIWZHP-OALUTQOASA-N 1 3 345.531 2.539 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016861999 1313015624 /nfs/dbraw/zinc/01/56/24/1313015624.db2.gz RLOWQKUMUXIXOY-MSOLQXFVSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCCC[N@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158168 1294470387 /nfs/dbraw/zinc/47/03/87/1294470387.db2.gz JXXKVIZDQBIXGX-LJQANCHMSA-N 1 3 339.499 2.699 20 30 EFEDHO C=CCCC[N@@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158168 1294470390 /nfs/dbraw/zinc/47/03/90/1294470390.db2.gz JXXKVIZDQBIXGX-LJQANCHMSA-N 1 3 339.499 2.699 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CCCC(C)(C)C)CC2)CC1 ZINC001198236282 1294947926 /nfs/dbraw/zinc/94/79/26/1294947926.db2.gz HSIGKCPECWGFCR-UHFFFAOYSA-N 1 3 347.547 2.692 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001198236282 1294947934 /nfs/dbraw/zinc/94/79/34/1294947934.db2.gz HSIGKCPECWGFCR-UHFFFAOYSA-N 1 3 347.547 2.692 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CCCCCCC)CC2)CC1 ZINC001198236305 1294948349 /nfs/dbraw/zinc/94/83/49/1294948349.db2.gz IJXQTDKTGOOADD-UHFFFAOYSA-N 1 3 347.547 2.836 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CCCCCCC)CC2)CC1 ZINC001198236305 1294948360 /nfs/dbraw/zinc/94/83/60/1294948360.db2.gz IJXQTDKTGOOADD-UHFFFAOYSA-N 1 3 347.547 2.836 20 30 EFEDHO C=C(C)CC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902288 1295303905 /nfs/dbraw/zinc/30/39/05/1295303905.db2.gz JEVXRLAFRXKIEM-MSOLQXFVSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCC[NH2+][C@@H](CNC(=O)CN1CCC[C@H]1C)c1ccccc1OC ZINC001198902859 1295304218 /nfs/dbraw/zinc/30/42/18/1295304218.db2.gz QWCKFDSFBWVYON-AEFFLSMTSA-N 1 3 345.487 2.503 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205436699 1313288470 /nfs/dbraw/zinc/28/84/70/1313288470.db2.gz CKETWGSHMNSYAD-OTWHNJEPSA-N 1 3 347.478 2.626 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960276510 1296689160 /nfs/dbraw/zinc/68/91/60/1296689160.db2.gz XLCZUKIHCPCMKB-HSALFYBXSA-N 1 3 341.499 2.665 20 30 EFEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960276510 1296689172 /nfs/dbraw/zinc/68/91/72/1296689172.db2.gz XLCZUKIHCPCMKB-HSALFYBXSA-N 1 3 341.499 2.665 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001205626217 1313326038 /nfs/dbraw/zinc/32/60/38/1313326038.db2.gz ZWCHRGSKGRHHLP-QXAKKESOSA-N 1 3 347.478 2.626 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049837746 1313369149 /nfs/dbraw/zinc/36/91/49/1313369149.db2.gz REMPXPIXSKZBBW-ZCNNSNEGSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1CCCC ZINC001049837746 1313369154 /nfs/dbraw/zinc/36/91/54/1313369154.db2.gz REMPXPIXSKZBBW-ZCNNSNEGSA-N 1 3 345.531 2.730 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2Cl)CC1 ZINC000305640165 1297607857 /nfs/dbraw/zinc/60/78/57/1297607857.db2.gz BAZAHDMORLXMTH-CQSZACIVSA-N 1 3 334.895 2.760 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549756 1313409009 /nfs/dbraw/zinc/40/90/09/1313409009.db2.gz LRKOCHYKAGHMBC-ZSYWTGECSA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549756 1313409012 /nfs/dbraw/zinc/40/90/12/1313409012.db2.gz LRKOCHYKAGHMBC-ZSYWTGECSA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206273896 1313429339 /nfs/dbraw/zinc/42/93/39/1313429339.db2.gz CTDMPEOLLMIJRR-IBGZPJMESA-N 1 3 339.499 2.603 20 30 EFEDHO N#Cc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236321304 1313469101 /nfs/dbraw/zinc/46/91/01/1313469101.db2.gz HUTJHNLIQMKGAL-OKILXGFUSA-N 1 3 334.261 2.752 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180410 1298256181 /nfs/dbraw/zinc/25/61/81/1298256181.db2.gz GVZUDQUVGBTLKN-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180410 1298256190 /nfs/dbraw/zinc/25/61/90/1298256190.db2.gz GVZUDQUVGBTLKN-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181348 1298259661 /nfs/dbraw/zinc/25/96/61/1298259661.db2.gz JHLKAUSKPAPEDJ-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961181348 1298259675 /nfs/dbraw/zinc/25/96/75/1298259675.db2.gz JHLKAUSKPAPEDJ-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961184738 1298268507 /nfs/dbraw/zinc/26/85/07/1298268507.db2.gz OEPUKUDTZHAHDG-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961184738 1298268517 /nfs/dbraw/zinc/26/85/17/1298268517.db2.gz OEPUKUDTZHAHDG-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961189201 1298275522 /nfs/dbraw/zinc/27/55/22/1298275522.db2.gz YKLNGVGRVNAGRF-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 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ZINC000961444071 1298755573 /nfs/dbraw/zinc/75/55/73/1298755573.db2.gz ZACFYQNJRSYBFX-HXUWFJFHSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961444071 1298755586 /nfs/dbraw/zinc/75/55/86/1298755586.db2.gz ZACFYQNJRSYBFX-HXUWFJFHSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001017835927 1313548159 /nfs/dbraw/zinc/54/81/59/1313548159.db2.gz VDKWHCCCNLWOGF-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001017835927 1313548160 /nfs/dbraw/zinc/54/81/60/1313548160.db2.gz VDKWHCCCNLWOGF-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCc2cc(OC)ccc21 ZINC000305793245 1298868634 /nfs/dbraw/zinc/86/86/34/1298868634.db2.gz MHEGAJJRCSTSTQ-IAGOWNOFSA-N 1 3 344.503 2.504 20 30 EFEDHO C=C(C)C[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206948998 1313566996 /nfs/dbraw/zinc/56/69/96/1313566996.db2.gz LLLGOPXYHSCRDF-UHFFFAOYSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206950134 1313567110 /nfs/dbraw/zinc/56/71/10/1313567110.db2.gz CBGOIXVFZGXGLG-UHFFFAOYSA-N 1 3 349.906 2.943 20 30 EFEDHO C#C[C@@](C)(CC)N[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101779 1299547650 /nfs/dbraw/zinc/54/76/50/1299547650.db2.gz SQWLHDSZOOIDGP-UTKZUKDTSA-N 1 3 341.499 2.547 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000963901948 1301451309 /nfs/dbraw/zinc/45/13/09/1301451309.db2.gz DLYMQKBCCYXAIR-UHFFFAOYSA-N 1 3 341.927 2.830 20 30 EFEDHO C=CC[NH2+]C1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000963901956 1301452536 /nfs/dbraw/zinc/45/25/36/1301452536.db2.gz DPMSBJZJZFJNRL-RJYAGPCLSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC000963913402 1301468302 /nfs/dbraw/zinc/46/83/02/1301468302.db2.gz XWABMJBYEVLDSD-QQFBHYJXSA-N 1 3 327.900 2.582 20 30 EFEDHO C=CCCC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202504485 1301791905 /nfs/dbraw/zinc/79/19/05/1301791905.db2.gz UGHAVLHLSVIWCU-IBGZPJMESA-N 1 3 339.499 2.746 20 30 EFEDHO C=CC[NH2+]C1CCC(N(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC000964436455 1301832753 /nfs/dbraw/zinc/83/27/53/1301832753.db2.gz GWYLHWDPZGEYLS-UHFFFAOYSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000964438680 1301836460 /nfs/dbraw/zinc/83/64/60/1301836460.db2.gz ZCATYNRYDLKGMS-JCYILVPMSA-N 1 3 341.927 2.973 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1CN(C)C)C2 ZINC001097157932 1313882304 /nfs/dbraw/zinc/88/23/04/1313882304.db2.gz UEDKBOOGDLCBAO-OAGGEKHMSA-N 1 3 333.501 2.721 20 30 EFEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1CN(C)C)C2 ZINC001097157932 1313882307 /nfs/dbraw/zinc/88/23/07/1313882307.db2.gz UEDKBOOGDLCBAO-OAGGEKHMSA-N 1 3 333.501 2.721 20 30 EFEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1CN(C)C)C2 ZINC001097157932 1313882310 /nfs/dbraw/zinc/88/23/10/1313882310.db2.gz UEDKBOOGDLCBAO-OAGGEKHMSA-N 1 3 333.501 2.721 20 30 EFEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000965345589 1303143780 /nfs/dbraw/zinc/14/37/80/1303143780.db2.gz APNUDAWBAWKUPF-QAELIBMJSA-N 1 3 333.520 2.842 20 30 EFEDHO CCCCCCC[C@H](C)NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239215667 1313914591 /nfs/dbraw/zinc/91/45/91/1313914591.db2.gz KXHIKPYGPOQUTI-IRXDYDNUSA-N 1 3 338.540 2.909 20 30 EFEDHO C=C(C)c1cccc(C(C)(C)NC(=O)NCCC[NH2+]CCCN)c1 ZINC001239252828 1313919719 /nfs/dbraw/zinc/91/97/19/1313919719.db2.gz JLKSJSQWNBPRIX-UHFFFAOYSA-N 1 3 332.492 2.583 20 30 EFEDHO CCCCCCCCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364211 1313929823 /nfs/dbraw/zinc/92/98/23/1313929823.db2.gz YFMDEWXINFVJSD-MRXNPFEDSA-N 1 3 340.581 2.685 20 30 EFEDHO CCCCCCCCCCNC(=S)NCCC[NH2+]CCCN ZINC001239396394 1313932377 /nfs/dbraw/zinc/93/23/77/1313932377.db2.gz GQHJZMQIDTXTLG-UHFFFAOYSA-N 1 3 330.586 2.920 20 30 EFEDHO CCCCCCCCNC(=S)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001239461965 1313941190 /nfs/dbraw/zinc/94/11/90/1313941190.db2.gz ZMWVUHTXUQTNEN-QGZVFWFLSA-N 1 3 342.597 2.837 20 30 EFEDHO C#CCOc1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)cc1OC ZINC001276576519 1314000431 /nfs/dbraw/zinc/00/04/31/1314000431.db2.gz GMJIIZMBPODPLT-UHFFFAOYSA-N 1 3 328.456 2.625 20 30 EFEDHO C#CCOc1ccc(CN2CCC3(CC[N@@H+](C)C3)CC2)cc1OC ZINC001276576519 1314000434 /nfs/dbraw/zinc/00/04/34/1314000434.db2.gz GMJIIZMBPODPLT-UHFFFAOYSA-N 1 3 328.456 2.625 20 30 EFEDHO C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425222 1304978734 /nfs/dbraw/zinc/97/87/34/1304978734.db2.gz YOPMAZXWBFWMCE-YLJYHZDGSA-N 1 3 343.515 2.807 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1CC ZINC001037949298 1305203197 /nfs/dbraw/zinc/20/31/97/1305203197.db2.gz LZBZAXHSVAGPTJ-SJORKVTESA-N 1 3 341.927 2.688 20 30 EFEDHO C=CCCCCCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209427237 1314161937 /nfs/dbraw/zinc/16/19/37/1314161937.db2.gz LNGNSWNEZGLCRG-UHFFFAOYSA-N 1 3 334.508 2.913 20 30 EFEDHO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCCN3CCCCC3)C2)C1 ZINC001209448346 1314164040 /nfs/dbraw/zinc/16/40/40/1314164040.db2.gz PCIAQEFXQQFGCA-FQEVSTJZSA-N 1 3 349.519 2.973 20 30 EFEDHO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CCCN3CCCCC3)C2)C1 ZINC001209448346 1314164042 /nfs/dbraw/zinc/16/40/42/1314164042.db2.gz PCIAQEFXQQFGCA-FQEVSTJZSA-N 1 3 349.519 2.973 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045936172 1307934232 /nfs/dbraw/zinc/93/42/32/1307934232.db2.gz BCESGCGYDCTYII-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045936172 1307934238 /nfs/dbraw/zinc/93/42/38/1307934238.db2.gz BCESGCGYDCTYII-TZIWHRDSSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045936170 1307935152 /nfs/dbraw/zinc/93/51/52/1307935152.db2.gz BCESGCGYDCTYII-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045936170 1307935155 /nfs/dbraw/zinc/93/51/55/1307935155.db2.gz BCESGCGYDCTYII-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943235 1307956080 /nfs/dbraw/zinc/95/60/80/1307956080.db2.gz HDAIRENTWJUSAK-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943235 1307956085 /nfs/dbraw/zinc/95/60/85/1307956085.db2.gz HDAIRENTWJUSAK-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943032 1307956121 /nfs/dbraw/zinc/95/61/21/1307956121.db2.gz FJQMFQPOHONEBV-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943032 1307956123 /nfs/dbraw/zinc/95/61/23/1307956123.db2.gz FJQMFQPOHONEBV-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943031 1307956675 /nfs/dbraw/zinc/95/66/75/1307956675.db2.gz FJQMFQPOHONEBV-AZUAARDMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943031 1307956679 /nfs/dbraw/zinc/95/66/79/1307956679.db2.gz FJQMFQPOHONEBV-AZUAARDMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943034 1307956861 /nfs/dbraw/zinc/95/68/61/1307956861.db2.gz FJQMFQPOHONEBV-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943034 1307956865 /nfs/dbraw/zinc/95/68/65/1307956865.db2.gz FJQMFQPOHONEBV-QUCCMNQESA-N 1 3 333.520 2.607 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945165 1307962704 /nfs/dbraw/zinc/96/27/04/1307962704.db2.gz NUEVKUWBHCAZHS-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945165 1307962710 /nfs/dbraw/zinc/96/27/10/1307962710.db2.gz NUEVKUWBHCAZHS-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947583 1307970139 /nfs/dbraw/zinc/97/01/39/1307970139.db2.gz MTDJBBCKRRFJKU-UYAOXDASSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947583 1307970141 /nfs/dbraw/zinc/97/01/41/1307970141.db2.gz MTDJBBCKRRFJKU-UYAOXDASSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965045 1308018042 /nfs/dbraw/zinc/01/80/42/1308018042.db2.gz BRONPGHNGMABIL-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965045 1308018044 /nfs/dbraw/zinc/01/80/44/1308018044.db2.gz BRONPGHNGMABIL-ICSRJNTNSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046996812 1309887085 /nfs/dbraw/zinc/88/70/85/1309887085.db2.gz XQUPSRTXIRKSOW-CVEARBPZSA-N 1 3 343.462 2.510 20 30 EFEDHO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046996812 1309887091 /nfs/dbraw/zinc/88/70/91/1309887091.db2.gz XQUPSRTXIRKSOW-CVEARBPZSA-N 1 3 343.462 2.510 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047242153 1310393711 /nfs/dbraw/zinc/39/37/11/1310393711.db2.gz CBAFWYBWXYYFLI-RBUKOAKNSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047242877 1310395752 /nfs/dbraw/zinc/39/57/52/1310395752.db2.gz GYXDGZNUBSDDDZ-VQTJNVASSA-N 1 3 347.547 2.853 20 30 EFEDHO C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047244051 1310398709 /nfs/dbraw/zinc/39/87/09/1310398709.db2.gz PJGVSEAYLAHMSS-UXHICEINSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047244449 1310400476 /nfs/dbraw/zinc/40/04/76/1310400476.db2.gz RWKGZCZYNPKRTN-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047253506 1310424690 /nfs/dbraw/zinc/42/46/90/1310424690.db2.gz AJTWHDJQAGBCFO-WOJBJXKFSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047257637 1310433408 /nfs/dbraw/zinc/43/34/08/1310433408.db2.gz SMKRDJNBHOMFGH-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047258276 1310436374 /nfs/dbraw/zinc/43/63/74/1310436374.db2.gz YXUMZCRMOHIEBG-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047258279 1310436402 /nfs/dbraw/zinc/43/64/02/1310436402.db2.gz YXUMZCRMOHIEBG-QUCCMNQESA-N 1 3 347.547 2.997 20 30 EFEDHO Cc1cc(C#N)ccc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276858104 1311211609 /nfs/dbraw/zinc/21/16/09/1311211609.db2.gz BDJKRHLEPUNNIL-OAQYLSRUSA-N 1 3 340.515 2.716 20 30 EFEDHO Cc1cc(C#N)ccc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276858104 1311211613 /nfs/dbraw/zinc/21/16/13/1311211613.db2.gz BDJKRHLEPUNNIL-OAQYLSRUSA-N 1 3 340.515 2.716 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245326 1311232837 /nfs/dbraw/zinc/23/28/37/1311232837.db2.gz ADGGXYQZYIFVET-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223245326 1311232841 /nfs/dbraw/zinc/23/28/41/1311232841.db2.gz ADGGXYQZYIFVET-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363904 1311237325 /nfs/dbraw/zinc/23/73/25/1311237325.db2.gz FHYNJRKEBMLZKD-SBHAEUEKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101363904 1311237329 /nfs/dbraw/zinc/23/73/29/1311237329.db2.gz FHYNJRKEBMLZKD-SBHAEUEKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223472689 1311264855 /nfs/dbraw/zinc/26/48/55/1311264855.db2.gz SJRTYOXBYXNPEC-LJQANCHMSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101975873 1311271203 /nfs/dbraw/zinc/27/12/03/1311271203.db2.gz FDULUQTVZUFZNH-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101975873 1311271207 /nfs/dbraw/zinc/27/12/07/1311271207.db2.gz FDULUQTVZUFZNH-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO CC#CCN1CCC(CNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001225142339 1311481169 /nfs/dbraw/zinc/48/11/69/1311481169.db2.gz HYQKKOYPAQXBFB-UHFFFAOYSA-N 1 3 335.536 2.740 20 30 EFEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCCCCC)CC2)CC1 ZINC001225563320 1311544361 /nfs/dbraw/zinc/54/43/61/1311544361.db2.gz BFUQSOSVAIXARR-UHFFFAOYSA-N 1 3 347.547 2.740 20 30 EFEDHO N#Cc1cccc2c1CC[C@H]2Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001159916442 1311608607 /nfs/dbraw/zinc/60/86/07/1311608607.db2.gz NOBRWEISKOMSFD-GOSISDBHSA-N 1 3 333.439 2.980 20 30 EFEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001096314336 1311614503 /nfs/dbraw/zinc/61/45/03/1311614503.db2.gz DOKLHZAPACWBQI-XWSJACJDSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1CCCC)C2 ZINC001096314336 1311614506 /nfs/dbraw/zinc/61/45/06/1311614506.db2.gz DOKLHZAPACWBQI-XWSJACJDSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCCCCCCN1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151217 1311714924 /nfs/dbraw/zinc/71/49/24/1311714924.db2.gz DQAJPOWGTSKZED-FXAWDEMLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226878314 1311736108 /nfs/dbraw/zinc/73/61/08/1311736108.db2.gz PUZBDCVIVBVDGX-ARFHVFGLSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226878314 1311736112 /nfs/dbraw/zinc/73/61/12/1311736112.db2.gz PUZBDCVIVBVDGX-ARFHVFGLSA-N 1 3 327.900 2.630 20 30 EFEDHO C#C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)C(C)C ZINC001227164568 1311770589 /nfs/dbraw/zinc/77/05/89/1311770589.db2.gz KGMAUPIWABGWEF-HXUWFJFHSA-N 1 3 345.531 2.908 20 30 EFEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572621 1311920823 /nfs/dbraw/zinc/92/08/23/1311920823.db2.gz OYZQJDRLWIDUBR-FCGDIQPGSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572621 1311920827 /nfs/dbraw/zinc/92/08/27/1311920827.db2.gz OYZQJDRLWIDUBR-FCGDIQPGSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572622 1311920881 /nfs/dbraw/zinc/92/08/81/1311920881.db2.gz OYZQJDRLWIDUBR-RDGPPVDQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572622 1311920886 /nfs/dbraw/zinc/92/08/86/1311920886.db2.gz OYZQJDRLWIDUBR-RDGPPVDQSA-N 1 3 333.520 2.795 20 30 EFEDHO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001228602619 1311968754 /nfs/dbraw/zinc/96/87/54/1311968754.db2.gz IFAUABVAXWVKCV-MDZRGWNJSA-N 1 3 339.499 2.792 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836805 1312187246 /nfs/dbraw/zinc/18/72/46/1312187246.db2.gz QSOGLKWSIGJDFW-FQEVSTJZSA-N 1 3 345.531 2.810 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001015603270 1312208638 /nfs/dbraw/zinc/20/86/38/1312208638.db2.gz QJSFNWYWCHHPIU-PKOBYXMFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC001015603270 1312208641 /nfs/dbraw/zinc/20/86/41/1312208641.db2.gz QJSFNWYWCHHPIU-PKOBYXMFSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001015603267 1312208867 /nfs/dbraw/zinc/20/88/67/1312208867.db2.gz QJSFNWYWCHHPIU-HKUYNNGSSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001015603267 1312208871 /nfs/dbraw/zinc/20/88/71/1312208871.db2.gz QJSFNWYWCHHPIU-HKUYNNGSSA-N 1 3 333.520 2.940 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)CCC=C)CC1 ZINC001230251868 1312210830 /nfs/dbraw/zinc/21/08/30/1312210830.db2.gz NRYXYBPQXFWWOE-DFQSSKMNSA-N 1 3 345.531 2.703 20 30 EFEDHO C=CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960439 1312212480 /nfs/dbraw/zinc/21/24/80/1312212480.db2.gz SPSGFJKYSJFKBE-UHFFFAOYSA-N 1 3 345.531 2.955 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163006739 1312224368 /nfs/dbraw/zinc/22/43/68/1312224368.db2.gz KNHCTRZJJQRTEH-UHFFFAOYSA-N 1 3 331.504 2.564 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CC[NH+](C[C@H](C)CC(C)C)CC2)CC1 ZINC001230354678 1312227976 /nfs/dbraw/zinc/22/79/76/1312227976.db2.gz HELJRNMGMPUOTQ-GOSISDBHSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCCCCC=C)CC2)CC1 ZINC001230355404 1312228199 /nfs/dbraw/zinc/22/81/99/1312228199.db2.gz ZXGADJPUBWGTJC-UHFFFAOYSA-N 1 3 345.531 2.659 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001230572854 1312268953 /nfs/dbraw/zinc/26/89/53/1312268953.db2.gz UWKSATVBSYMHGU-UXHICEINSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001230572854 1312268954 /nfs/dbraw/zinc/26/89/54/1312268954.db2.gz UWKSATVBSYMHGU-UXHICEINSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001230572858 1312269494 /nfs/dbraw/zinc/26/94/94/1312269494.db2.gz UWKSATVBSYMHGU-WOJBJXKFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001230572858 1312269498 /nfs/dbraw/zinc/26/94/98/1312269498.db2.gz UWKSATVBSYMHGU-WOJBJXKFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230574376 1312269929 /nfs/dbraw/zinc/26/99/29/1312269929.db2.gz CIGJSYMGEAQNFA-GOSISDBHSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230574376 1312269932 /nfs/dbraw/zinc/26/99/32/1312269932.db2.gz CIGJSYMGEAQNFA-GOSISDBHSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230574908 1312270574 /nfs/dbraw/zinc/27/05/74/1312270574.db2.gz IPBLUYCOBVQJAN-GOSISDBHSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001230574908 1312270578 /nfs/dbraw/zinc/27/05/78/1312270578.db2.gz IPBLUYCOBVQJAN-GOSISDBHSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230606741 1312281569 /nfs/dbraw/zinc/28/15/69/1312281569.db2.gz ZKOJTYZSOWEZKX-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230606741 1312281573 /nfs/dbraw/zinc/28/15/73/1312281573.db2.gz ZKOJTYZSOWEZKX-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230619538 1312286663 /nfs/dbraw/zinc/28/66/63/1312286663.db2.gz ZYQNCGRRAICXNB-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230619538 1312286666 /nfs/dbraw/zinc/28/66/66/1312286666.db2.gz ZYQNCGRRAICXNB-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO CN(C)C1(CNc2cccc3[nH]cc(CC#N)c32)CC[NH+](C)CC1 ZINC001164216787 1312470867 /nfs/dbraw/zinc/47/08/67/1312470867.db2.gz KZYXTTZAXSGXLZ-UHFFFAOYSA-N 1 3 325.460 2.672 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165456036 1312632720 /nfs/dbraw/zinc/63/27/20/1312632720.db2.gz OVECJIHUVIOCMN-INIZCTEOSA-N 1 3 341.927 2.593 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165456036 1312632723 /nfs/dbraw/zinc/63/27/23/1312632723.db2.gz OVECJIHUVIOCMN-INIZCTEOSA-N 1 3 341.927 2.593 20 30 EFEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250935 1314463486 /nfs/dbraw/zinc/46/34/86/1314463486.db2.gz YPLGRJIWWJVOHT-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCCC)C[C@H]2C)CC1 ZINC001211307034 1314472915 /nfs/dbraw/zinc/47/29/15/1314472915.db2.gz MIXZQZZWSCHFQO-UYAOXDASSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCCC)C[C@H]2C)CC1 ZINC001211307034 1314472917 /nfs/dbraw/zinc/47/29/17/1314472917.db2.gz MIXZQZZWSCHFQO-UYAOXDASSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052956274 1314516264 /nfs/dbraw/zinc/51/62/64/1314516264.db2.gz RAYCVCIQEMZNCS-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052956274 1314516269 /nfs/dbraw/zinc/51/62/69/1314516269.db2.gz RAYCVCIQEMZNCS-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001245981440 1314558937 /nfs/dbraw/zinc/55/89/37/1314558937.db2.gz GZADJSLYWZYSAD-HCXYKTFWSA-N 1 3 326.525 2.702 20 30 EFEDHO CCCCCCCCCC[C@@H](O)CN[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001245981440 1314558941 /nfs/dbraw/zinc/55/89/41/1314558941.db2.gz GZADJSLYWZYSAD-HCXYKTFWSA-N 1 3 326.525 2.702 20 30 EFEDHO CCCCCCCCCCCC[C@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021065 1314568010 /nfs/dbraw/zinc/56/80/10/1314568010.db2.gz LDGHFJAOBYIXEJ-FHWLQOOXSA-N 1 3 328.541 2.910 20 30 EFEDHO CCCCCCCCCC[C@@H](O)CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048310 1314574668 /nfs/dbraw/zinc/57/46/68/1314574668.db2.gz WQXQMKXGDNTYPJ-MHYDHLEJSA-N 1 3 326.525 2.784 20 30 EFEDHO CCCCCCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747003 1314597816 /nfs/dbraw/zinc/59/78/16/1314597816.db2.gz AZEHWHVECCSCML-QZTJIDSGSA-N 1 3 341.540 2.504 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028343 1314599410 /nfs/dbraw/zinc/59/94/10/1314599410.db2.gz LEVFQFPPFZEBMQ-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028343 1314599414 /nfs/dbraw/zinc/59/94/14/1314599414.db2.gz LEVFQFPPFZEBMQ-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029933 1314602565 /nfs/dbraw/zinc/60/25/65/1314602565.db2.gz YLTOQVQBOVIGAO-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029933 1314602571 /nfs/dbraw/zinc/60/25/71/1314602571.db2.gz YLTOQVQBOVIGAO-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3CCN[C@H](C)C3)cc(C#N)c21 ZINC001246329332 1314611174 /nfs/dbraw/zinc/61/11/74/1314611174.db2.gz VANDRVUWJUYAPG-TYILLQQXSA-N 1 3 338.455 2.834 20 30 EFEDHO CC(=O)n1ccc2cc(C[C@H](C)N[C@H]3CC[NH2+][C@H](C)C3)cc(C#N)c21 ZINC001246329332 1314611177 /nfs/dbraw/zinc/61/11/77/1314611177.db2.gz VANDRVUWJUYAPG-TYILLQQXSA-N 1 3 338.455 2.834 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087931 1314694952 /nfs/dbraw/zinc/69/49/52/1314694952.db2.gz PBZVUPUXRGIBLH-UYAOXDASSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087931 1314694957 /nfs/dbraw/zinc/69/49/57/1314694957.db2.gz PBZVUPUXRGIBLH-UYAOXDASSA-N 1 3 345.531 2.587 20 30 EFEDHO C[C@@H](Cc1ccc(C#N)cc1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246880094 1314701906 /nfs/dbraw/zinc/70/19/06/1314701906.db2.gz PVXYMAUMEPFMCE-WTOYTKOKSA-N 1 3 331.463 2.962 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099768 1314715261 /nfs/dbraw/zinc/71/52/61/1314715261.db2.gz YTTRKWNDLSKOBR-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099768 1314715266 /nfs/dbraw/zinc/71/52/66/1314715266.db2.gz YTTRKWNDLSKOBR-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248073 1314818585 /nfs/dbraw/zinc/81/85/85/1314818585.db2.gz LUGDPFQKNBTLBB-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248073 1314818589 /nfs/dbraw/zinc/81/85/89/1314818589.db2.gz LUGDPFQKNBTLBB-IEBWSBKVSA-N 1 3 333.520 2.798 20 30 EFEDHO CCc1cc(C#N)ccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001248752880 1314958432 /nfs/dbraw/zinc/95/84/32/1314958432.db2.gz GHPJLBRCRGTUES-UHFFFAOYSA-N 1 3 340.515 2.580 20 30 EFEDHO C=C1CC[NH2+]C[C@@H]1OC[C@@]1(C)CN(Cc2ccccc2)CC(C)(C)O1 ZINC001217833738 1315116199 /nfs/dbraw/zinc/11/61/99/1315116199.db2.gz YZKYVRRUBBHMLB-PZJWPPBQSA-N 1 3 344.499 2.991 20 30 EFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001218558485 1315215100 /nfs/dbraw/zinc/21/51/00/1315215100.db2.gz GWCLLTSTNQDLLZ-HNNXBMFYSA-N 1 3 333.480 2.549 20 30 EFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001219468205 1315317349 /nfs/dbraw/zinc/31/73/49/1315317349.db2.gz XMZBIBIVKKJSHW-INIZCTEOSA-N 1 3 339.443 2.541 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174235 1315409751 /nfs/dbraw/zinc/40/97/51/1315409751.db2.gz KOCYHRYVZSDRCA-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174235 1315409753 /nfs/dbraw/zinc/40/97/53/1315409753.db2.gz KOCYHRYVZSDRCA-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC001220868807 1315458552 /nfs/dbraw/zinc/45/85/52/1315458552.db2.gz VCJTWAFWVYQHKZ-PXNSSMCTSA-N 1 3 337.467 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137405 1315523884 /nfs/dbraw/zinc/52/38/84/1315523884.db2.gz NVGFQTNODGBDAC-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039137405 1315523886 /nfs/dbraw/zinc/52/38/86/1315523886.db2.gz NVGFQTNODGBDAC-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163584 1315562240 /nfs/dbraw/zinc/56/22/40/1315562240.db2.gz CWOFCVAGJFURRY-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163584 1315562241 /nfs/dbraw/zinc/56/22/41/1315562241.db2.gz CWOFCVAGJFURRY-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165060 1315563675 /nfs/dbraw/zinc/56/36/75/1315563675.db2.gz NIISCAYSUAYGSG-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165060 1315563679 /nfs/dbraw/zinc/56/36/79/1315563679.db2.gz NIISCAYSUAYGSG-HKUYNNGSSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165300 1315565850 /nfs/dbraw/zinc/56/58/50/1315565850.db2.gz MDMXANJUPZDYQR-HXUWFJFHSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165300 1315565853 /nfs/dbraw/zinc/56/58/53/1315565853.db2.gz MDMXANJUPZDYQR-HXUWFJFHSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182027 1315589491 /nfs/dbraw/zinc/58/94/91/1315589491.db2.gz HNYSMAXKNFUJAF-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182027 1315589496 /nfs/dbraw/zinc/58/94/96/1315589496.db2.gz HNYSMAXKNFUJAF-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182026 1315589526 /nfs/dbraw/zinc/58/95/26/1315589526.db2.gz HNYSMAXKNFUJAF-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182026 1315589528 /nfs/dbraw/zinc/58/95/28/1315589528.db2.gz HNYSMAXKNFUJAF-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182029 1315589935 /nfs/dbraw/zinc/58/99/35/1315589935.db2.gz HNYSMAXKNFUJAF-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182029 1315589937 /nfs/dbraw/zinc/58/99/37/1315589937.db2.gz HNYSMAXKNFUJAF-WOJBJXKFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039183132 1315591721 /nfs/dbraw/zinc/59/17/21/1315591721.db2.gz WSGCRRLZGJFNDF-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039183132 1315591723 /nfs/dbraw/zinc/59/17/23/1315591723.db2.gz WSGCRRLZGJFNDF-OALUTQOASA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214738 1315631562 /nfs/dbraw/zinc/63/15/62/1315631562.db2.gz QAVJONSSJCMNQG-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214738 1315631564 /nfs/dbraw/zinc/63/15/64/1315631564.db2.gz QAVJONSSJCMNQG-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039302174 1315709155 /nfs/dbraw/zinc/70/91/55/1315709155.db2.gz ZHOSVZKQBUOGCP-XVLXNVKGSA-N 1 3 333.520 2.937 20 30 EFEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CC ZINC001039313712 1315714668 /nfs/dbraw/zinc/71/46/68/1315714668.db2.gz MEQRDIABYFEHGO-IPQPSQTFSA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC001039313713 1315714695 /nfs/dbraw/zinc/71/46/95/1315714695.db2.gz MEQRDIABYFEHGO-XVLXNVKGSA-N 1 3 333.520 2.939 20 30 EFEDHO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@@H]1CC[C@H](C#N)C1 ZINC001254646890 1315734704 /nfs/dbraw/zinc/73/47/04/1315734704.db2.gz PSEDQFTUQBRKBD-JKSUJKDBSA-N 1 3 338.496 2.505 20 30 EFEDHO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@@H]1CC[C@H](C#N)C1 ZINC001254646890 1315734708 /nfs/dbraw/zinc/73/47/08/1315734708.db2.gz PSEDQFTUQBRKBD-JKSUJKDBSA-N 1 3 338.496 2.505 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001039386899 1315756515 /nfs/dbraw/zinc/75/65/15/1315756515.db2.gz KNXRMHJLYYAHAN-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039386899 1315756518 /nfs/dbraw/zinc/75/65/18/1315756518.db2.gz KNXRMHJLYYAHAN-QRVBRYPASA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039423941 1315782636 /nfs/dbraw/zinc/78/26/36/1315782636.db2.gz UGBXLCOPENZWGG-OTWHNJEPSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039423941 1315782638 /nfs/dbraw/zinc/78/26/38/1315782638.db2.gz UGBXLCOPENZWGG-OTWHNJEPSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039448058 1315797678 /nfs/dbraw/zinc/79/76/78/1315797678.db2.gz USNKJQBNEGKWAO-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039448058 1315797680 /nfs/dbraw/zinc/79/76/80/1315797680.db2.gz USNKJQBNEGKWAO-QYZOEREBSA-N 1 3 333.520 2.891 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001039458042 1315805313 /nfs/dbraw/zinc/80/53/13/1315805313.db2.gz CDFZHHHLXUSGTR-HSALFYBXSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039458042 1315805317 /nfs/dbraw/zinc/80/53/17/1315805317.db2.gz CDFZHHHLXUSGTR-HSALFYBXSA-N 1 3 345.531 2.730 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460567 1315806880 /nfs/dbraw/zinc/80/68/80/1315806880.db2.gz WIJNRMNDJLIYEF-CVEARBPZSA-N 1 3 330.476 2.719 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460567 1315806883 /nfs/dbraw/zinc/80/68/83/1315806883.db2.gz WIJNRMNDJLIYEF-CVEARBPZSA-N 1 3 330.476 2.719 20 30 EFEDHO C=CCOC(=O)N1CCC[C@]2(CCN(C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001257213149 1316047044 /nfs/dbraw/zinc/04/70/44/1316047044.db2.gz HTSSBZDMIKYFGS-HXUWFJFHSA-N 1 3 349.519 2.970 20 30 EFEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257216540 1316047635 /nfs/dbraw/zinc/04/76/35/1316047635.db2.gz HTRFLXNYPDQTKY-FQEVSTJZSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCOC(=O)N1CC2(C1)CCN(C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258011983 1316110417 /nfs/dbraw/zinc/11/04/17/1316110417.db2.gz QVHGWWSYWHMAJN-UHFFFAOYSA-N 1 3 349.519 2.827 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207372 1316143263 /nfs/dbraw/zinc/14/32/63/1316143263.db2.gz FGJKBTDZTOMSNX-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040242518 1316161860 /nfs/dbraw/zinc/16/18/60/1316161860.db2.gz YQFUDPCOASZIGG-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040242518 1316161862 /nfs/dbraw/zinc/16/18/62/1316161862.db2.gz YQFUDPCOASZIGG-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258717162 1316173220 /nfs/dbraw/zinc/17/32/20/1316173220.db2.gz JGBUPWYLDRZGNC-PKOBYXMFSA-N 1 3 343.515 2.746 20 30 EFEDHO C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001040271974 1316177385 /nfs/dbraw/zinc/17/73/85/1316177385.db2.gz WBURCXHZDKVPPZ-OAQYLSRUSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040271974 1316177388 /nfs/dbraw/zinc/17/73/88/1316177388.db2.gz WBURCXHZDKVPPZ-OAQYLSRUSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001040703816 1316355032 /nfs/dbraw/zinc/35/50/32/1316355032.db2.gz NVZRIMHOSZFPRP-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC001040948745 1316409298 /nfs/dbraw/zinc/40/92/98/1316409298.db2.gz YUAFLVZROCAHIN-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286619 1316503304 /nfs/dbraw/zinc/50/33/04/1316503304.db2.gz LSBNBPPBSARMHT-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286619 1316503306 /nfs/dbraw/zinc/50/33/06/1316503306.db2.gz LSBNBPPBSARMHT-HXUWFJFHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724342 1316666841 /nfs/dbraw/zinc/66/68/41/1316666841.db2.gz VJNLGOWJYBGRLI-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724342 1316666844 /nfs/dbraw/zinc/66/68/44/1316666844.db2.gz VJNLGOWJYBGRLI-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844279 1316730621 /nfs/dbraw/zinc/73/06/21/1316730621.db2.gz GBCPTLDSUYTQMG-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844279 1316730624 /nfs/dbraw/zinc/73/06/24/1316730624.db2.gz GBCPTLDSUYTQMG-OAQYLSRUSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC001042234206 1316997486 /nfs/dbraw/zinc/99/74/86/1316997486.db2.gz LBJHJQMQLLXYMC-ICSRJNTNSA-N 1 3 341.499 2.513 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369233 1317224267 /nfs/dbraw/zinc/22/42/67/1317224267.db2.gz VALNDHDKUDGVAW-PXNSSMCTSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369233 1317224275 /nfs/dbraw/zinc/22/42/75/1317224275.db2.gz VALNDHDKUDGVAW-PXNSSMCTSA-N 1 3 341.499 2.861 20 30 EFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001335397408 1331342498 /nfs/dbraw/zinc/34/24/98/1331342498.db2.gz GZDBCSVBZBIZEI-QGZVFWFLSA-N 1 3 340.389 2.816 20 30 EFEDHO CC(C)(C)[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336785470 1331502617 /nfs/dbraw/zinc/50/26/17/1331502617.db2.gz OCLWIOBGHCKWOF-INIZCTEOSA-N 1 3 328.460 2.597 20 30 EFEDHO CC(C)(C)[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336785470 1331502615 /nfs/dbraw/zinc/50/26/15/1331502615.db2.gz OCLWIOBGHCKWOF-INIZCTEOSA-N 1 3 328.460 2.597 20 30 EFEDHO CC(C)(C)[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336785471 1331502788 /nfs/dbraw/zinc/50/27/88/1331502788.db2.gz OCLWIOBGHCKWOF-MRXNPFEDSA-N 1 3 328.460 2.597 20 30 EFEDHO CC(C)(C)[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336785471 1331502792 /nfs/dbraw/zinc/50/27/92/1331502792.db2.gz OCLWIOBGHCKWOF-MRXNPFEDSA-N 1 3 328.460 2.597 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC001340093069 1332138607 /nfs/dbraw/zinc/13/86/07/1332138607.db2.gz HUUVMJPLNMMNNS-QGZVFWFLSA-N 1 3 328.460 2.825 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001340822336 1332209547 /nfs/dbraw/zinc/20/95/47/1332209547.db2.gz HZAMHJVBSRGWHT-LJQANCHMSA-N 1 3 329.488 2.698 20 30 EFEDHO CC[C@H](C#N)Oc1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848532805 1334780123 /nfs/dbraw/zinc/78/01/23/1334780123.db2.gz BAIUXLDWSDTTTO-RBUKOAKNSA-N 1 3 343.471 2.710 20 30 EFEDHO CCCCCCCC[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001357444640 1335308168 /nfs/dbraw/zinc/30/81/68/1335308168.db2.gz HVQFEQUXBGMLLD-WBVHZDCISA-N 1 3 332.492 2.914 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001357571868 1335317154 /nfs/dbraw/zinc/31/71/54/1335317154.db2.gz CGAPWEBVKMRDQN-LJQANCHMSA-N 1 3 344.503 2.839 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001376954847 1343984864 /nfs/dbraw/zinc/98/48/64/1343984864.db2.gz JYAQHKAILYEIME-MRXNPFEDSA-N 1 3 335.879 2.552 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001379167891 1345638100 /nfs/dbraw/zinc/63/81/00/1345638100.db2.gz KFPWMFQOEVYMAW-HUUCEWRRSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001380696682 1347819477 /nfs/dbraw/zinc/81/94/77/1347819477.db2.gz AKGWHTXHIUTJIB-ULQDDVLXSA-N 1 3 343.943 2.837 20 30 EFEDHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001382539209 1349006069 /nfs/dbraw/zinc/00/60/69/1349006069.db2.gz HUVLOHMKRQCGFS-SFHVURJKSA-N 1 3 344.503 2.521 20 30 EFEDHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382541125 1349008386 /nfs/dbraw/zinc/00/83/86/1349008386.db2.gz QLAXUDGKHGCXAX-GOSISDBHSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001390265249 1353963197 /nfs/dbraw/zinc/96/31/97/1353963197.db2.gz LLODVEHGPOHQMP-UHFFFAOYSA-N 1 3 329.916 2.734 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001436667712 1387275211 /nfs/dbraw/zinc/27/52/11/1387275211.db2.gz MZQSQJLHIVTGTA-DOTOQJQBSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(NC(=O)CN(C)CCC)CCCC[C@@H]1C ZINC001391808719 1355551089 /nfs/dbraw/zinc/55/10/89/1355551089.db2.gz LFITXYCIFCKUTI-WMLDXEAASA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)C2(C[NH+](C)C)CC2)CCCC[C@@H]1C ZINC001405484391 1366232560 /nfs/dbraw/zinc/23/25/60/1366232560.db2.gz VEQPZPSREPVMCE-KSSFIOAISA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174365 1368541525 /nfs/dbraw/zinc/54/15/25/1368541525.db2.gz QWPAHXHMWJNMDN-JKSUJKDBSA-N 1 3 329.916 2.590 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001421550227 1378795541 /nfs/dbraw/zinc/79/55/41/1378795541.db2.gz OITUJBKPTDALIP-XIRDDKMYSA-N 1 3 341.927 2.593 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001438430878 1388592246 /nfs/dbraw/zinc/59/22/46/1388592246.db2.gz DNXZFXARFTVJEE-KDOFPFPSSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001425963296 1383902399 /nfs/dbraw/zinc/90/23/99/1383902399.db2.gz VGJRCWVUHLPEKJ-CABCVRRESA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CN[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001496624265 1400878419 /nfs/dbraw/zinc/87/84/19/1400878419.db2.gz WAFHGYBDNQJVNR-INIZCTEOSA-N 1 3 329.916 2.590 20 30 EFEDHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505408687 1404566122 /nfs/dbraw/zinc/56/61/22/1404566122.db2.gz KTCWMWZVYWNZHB-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153921 712940589 /nfs/dbraw/zinc/94/05/89/712940589.db2.gz SJARTEIXIPDKRV-HXUWFJFHSA-N 1 3 341.499 2.746 20 30 EFEDHO CC#CCN1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153920 712940600 /nfs/dbraw/zinc/94/06/00/712940600.db2.gz SJARTEIXIPDKRV-FQEVSTJZSA-N 1 3 341.499 2.746 20 30 EFEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155503 712942268 /nfs/dbraw/zinc/94/22/68/712942268.db2.gz AGLMWJLIFVBXIT-IBGZPJMESA-N 1 3 341.499 2.746 20 30 EFEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000969155503 712942271 /nfs/dbraw/zinc/94/22/71/712942271.db2.gz AGLMWJLIFVBXIT-IBGZPJMESA-N 1 3 341.499 2.746 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159248 713602289 /nfs/dbraw/zinc/60/22/89/713602289.db2.gz IGMNZKNQSNNAOY-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159248 713602291 /nfs/dbraw/zinc/60/22/91/713602291.db2.gz IGMNZKNQSNNAOY-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928064 714143405 /nfs/dbraw/zinc/14/34/05/714143405.db2.gz IJFUMBCVKYZDRP-MRXNPFEDSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604042 714164586 /nfs/dbraw/zinc/16/45/86/714164586.db2.gz AFJSPBKQYANXCF-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604042 714164589 /nfs/dbraw/zinc/16/45/89/714164589.db2.gz AFJSPBKQYANXCF-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C1CC1)N(C)C ZINC001039288749 714261029 /nfs/dbraw/zinc/26/10/29/714261029.db2.gz GQGRNRXGDLBZBJ-HMQMGEFJSA-N 1 3 339.911 2.581 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669939 714271677 /nfs/dbraw/zinc/27/16/77/714271677.db2.gz IPXYXTSLJJMWIO-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669939 714271680 /nfs/dbraw/zinc/27/16/80/714271680.db2.gz IPXYXTSLJJMWIO-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975063785 715464884 /nfs/dbraw/zinc/46/48/84/715464884.db2.gz QTAFKSDWYNKURX-IBGZPJMESA-N 1 3 343.515 2.807 20 30 EFEDHO C=CCC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977641289 716432589 /nfs/dbraw/zinc/43/25/89/716432589.db2.gz NDGIMRXBNIOGKM-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977641289 716432592 /nfs/dbraw/zinc/43/25/92/716432592.db2.gz NDGIMRXBNIOGKM-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654938 716446643 /nfs/dbraw/zinc/44/66/43/716446643.db2.gz NJEJAKAVQOMPJG-IBGZPJMESA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC(CC)CC)CC2(C)C)CC1 ZINC000977654938 716446648 /nfs/dbraw/zinc/44/66/48/716446648.db2.gz NJEJAKAVQOMPJG-IBGZPJMESA-N 1 3 347.547 2.594 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803243 716456298 /nfs/dbraw/zinc/45/62/98/716456298.db2.gz YBPBHXHQWLHREQ-OKYOBFRVSA-N 1 3 333.520 2.510 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803243 716456303 /nfs/dbraw/zinc/45/63/03/716456303.db2.gz YBPBHXHQWLHREQ-OKYOBFRVSA-N 1 3 333.520 2.510 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173741 717857492 /nfs/dbraw/zinc/85/74/92/717857492.db2.gz SRDLZJCAFCEVEG-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173741 717857495 /nfs/dbraw/zinc/85/74/95/717857495.db2.gz SRDLZJCAFCEVEG-OKZBNKHCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173739 717857720 /nfs/dbraw/zinc/85/77/20/717857720.db2.gz SRDLZJCAFCEVEG-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173739 717857724 /nfs/dbraw/zinc/85/77/24/717857724.db2.gz SRDLZJCAFCEVEG-KSZLIROESA-N 1 3 333.520 2.654 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)(C)C)CC1 ZINC001024812419 718175418 /nfs/dbraw/zinc/17/54/18/718175418.db2.gz OSHYOMRFWGIIDE-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001024812419 718175419 /nfs/dbraw/zinc/17/54/19/718175419.db2.gz OSHYOMRFWGIIDE-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(CC)CC)CC1 ZINC001024812608 718175571 /nfs/dbraw/zinc/17/55/71/718175571.db2.gz PZBOJFPJNKWFLQ-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(CC)CC)CC1 ZINC001024812608 718175574 /nfs/dbraw/zinc/17/55/74/718175574.db2.gz PZBOJFPJNKWFLQ-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045356 718489565 /nfs/dbraw/zinc/48/95/65/718489565.db2.gz FLZWBJNKXIPXEV-SFHVURJKSA-N 1 3 329.488 2.561 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628685 719251631 /nfs/dbraw/zinc/25/16/31/719251631.db2.gz TYYJOLZRVQMLLJ-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628685 719251632 /nfs/dbraw/zinc/25/16/32/719251632.db2.gz TYYJOLZRVQMLLJ-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982161571 719620454 /nfs/dbraw/zinc/62/04/54/719620454.db2.gz WJOKBFXZYUCBPA-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982161571 719620457 /nfs/dbraw/zinc/62/04/57/719620457.db2.gz WJOKBFXZYUCBPA-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281501 719796204 /nfs/dbraw/zinc/79/62/04/719796204.db2.gz ZCWOMXNWMHEEFG-OYRHEFFESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281501 719796207 /nfs/dbraw/zinc/79/62/07/719796207.db2.gz ZCWOMXNWMHEEFG-OYRHEFFESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292535 719823017 /nfs/dbraw/zinc/82/30/17/719823017.db2.gz NWVJCKDIOYZHMQ-NRSPTQNISA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292535 719823023 /nfs/dbraw/zinc/82/30/23/719823023.db2.gz NWVJCKDIOYZHMQ-NRSPTQNISA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982427422 720046067 /nfs/dbraw/zinc/04/60/67/720046067.db2.gz ABULESQYBJNADI-OYRHEFFESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982427422 720046073 /nfs/dbraw/zinc/04/60/73/720046073.db2.gz ABULESQYBJNADI-OYRHEFFESA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831416 721303968 /nfs/dbraw/zinc/30/39/68/721303968.db2.gz KYORPRKPOZKFIV-UKAVVXHISA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831416 721303972 /nfs/dbraw/zinc/30/39/72/721303972.db2.gz KYORPRKPOZKFIV-UKAVVXHISA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974862804 721484843 /nfs/dbraw/zinc/48/48/43/721484843.db2.gz LYEINZXIJTXGEB-LJQANCHMSA-N 1 3 343.515 2.807 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067691 728939272 /nfs/dbraw/zinc/93/92/72/728939272.db2.gz YWHMETGZULPFLV-WMZOPIPTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067691 728939274 /nfs/dbraw/zinc/93/92/74/728939274.db2.gz YWHMETGZULPFLV-WMZOPIPTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009480 725460298 /nfs/dbraw/zinc/46/02/98/725460298.db2.gz HPOYLDDJLOIEPD-IRFCIJBXSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009480 725460300 /nfs/dbraw/zinc/46/03/00/725460300.db2.gz HPOYLDDJLOIEPD-IRFCIJBXSA-N 1 3 345.531 2.940 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992694187 726115571 /nfs/dbraw/zinc/11/55/71/726115571.db2.gz RGPUSHSQQPQQGO-KZNAEPCWSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992815752 726252896 /nfs/dbraw/zinc/25/28/96/726252896.db2.gz KRNLMYZCFHKDGM-RCCFBDPRSA-N 1 3 333.520 2.511 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992815736 726252915 /nfs/dbraw/zinc/25/29/15/726252915.db2.gz KRNLMYZCFHKDGM-FGTMMUONSA-N 1 3 333.520 2.511 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992926431 726342685 /nfs/dbraw/zinc/34/26/85/726342685.db2.gz OFZMULDALDYDAN-HSALFYBXSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993630192 727348493 /nfs/dbraw/zinc/34/84/93/727348493.db2.gz KNSXLVKKULWFSV-YLJYHZDGSA-N 1 3 343.515 2.950 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994454966 727758074 /nfs/dbraw/zinc/75/80/74/727758074.db2.gz AFJKUDAFDSUZMY-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994454966 727758076 /nfs/dbraw/zinc/75/80/76/727758076.db2.gz AFJKUDAFDSUZMY-QFBILLFUSA-N 1 3 329.488 2.907 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000948069843 729467894 /nfs/dbraw/zinc/46/78/94/729467894.db2.gz LAZWPDRVPRSGJA-HKUYNNGSSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC000948069843 729467895 /nfs/dbraw/zinc/46/78/95/729467895.db2.gz LAZWPDRVPRSGJA-HKUYNNGSSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070492 729475391 /nfs/dbraw/zinc/47/53/91/729475391.db2.gz PXWUQGZCFHZZAR-FXAWDEMLSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)[C@@H](C)C2)CC1 ZINC000948070492 729475394 /nfs/dbraw/zinc/47/53/94/729475394.db2.gz PXWUQGZCFHZZAR-FXAWDEMLSA-N 1 3 347.547 2.737 20 30 EFEDHO COc1cc(C#N)ccc1CN1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001579139130 1090524654 /nfs/dbraw/zinc/52/46/54/1090524654.db2.gz MIDQOONLAVXOTD-LJQANCHMSA-N 1 3 325.456 2.921 20 30 EFEDHO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001580036027 1090750162 /nfs/dbraw/zinc/75/01/62/1090750162.db2.gz MBEHFMKBIWBKPQ-QGTPRVQTSA-N 1 3 332.879 2.650 20 30 EFEDHO N#Cc1c(F)cccc1N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001580056947 1090757497 /nfs/dbraw/zinc/75/74/97/1090757497.db2.gz JAPUOHBHBMULOA-ALOPSCKCSA-N 1 3 342.462 2.740 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454545 1093052418 /nfs/dbraw/zinc/05/24/18/1093052418.db2.gz XOXQMGVCPYVNMK-GOSISDBHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454545 1093052425 /nfs/dbraw/zinc/05/24/25/1093052425.db2.gz XOXQMGVCPYVNMK-GOSISDBHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458442 1093229601 /nfs/dbraw/zinc/22/96/01/1093229601.db2.gz GBYUWCPAAYMGJH-OALUTQOASA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458442 1093229610 /nfs/dbraw/zinc/22/96/10/1093229610.db2.gz GBYUWCPAAYMGJH-OALUTQOASA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458612 1093231338 /nfs/dbraw/zinc/23/13/38/1093231338.db2.gz LKRLNBPCZHVFKJ-QGZVFWFLSA-N 1 3 344.503 2.869 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458612 1093231344 /nfs/dbraw/zinc/23/13/44/1093231344.db2.gz LKRLNBPCZHVFKJ-QGZVFWFLSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001104667646 1094570140 /nfs/dbraw/zinc/57/01/40/1094570140.db2.gz UMWYGABCMJVFEI-DJIMGWMZSA-N 1 3 343.943 2.934 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530343 1094873221 /nfs/dbraw/zinc/87/32/21/1094873221.db2.gz PKFIZUCUTSBVQH-RXVVDRJESA-N 1 3 347.547 2.903 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001104932627 1099069196 /nfs/dbraw/zinc/06/91/96/1099069196.db2.gz DWOPSQYLGRRQAO-GDBMZVCRSA-N 1 3 329.916 2.545 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932627 1099069207 /nfs/dbraw/zinc/06/92/07/1099069207.db2.gz DWOPSQYLGRRQAO-GDBMZVCRSA-N 1 3 329.916 2.545 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001211674317 1099722233 /nfs/dbraw/zinc/72/22/33/1099722233.db2.gz BAYXRBDTAUHCGP-ZCNNSNEGSA-N 1 3 343.515 2.877 20 30 EFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112164774 1100486743 /nfs/dbraw/zinc/48/67/43/1100486743.db2.gz QXAAUKXUHKALNO-RBSFLKMASA-N 1 3 349.441 2.662 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602557 1100580899 /nfs/dbraw/zinc/58/08/99/1100580899.db2.gz UNMBUSDHNSYPGG-IPMKNSEASA-N 1 3 333.520 2.939 20 30 EFEDHO C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602557 1100580905 /nfs/dbraw/zinc/58/09/05/1100580905.db2.gz UNMBUSDHNSYPGG-IPMKNSEASA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602284 1100580972 /nfs/dbraw/zinc/58/09/72/1100580972.db2.gz IRXBNAQILCMCHR-IPMKNSEASA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602284 1100580976 /nfs/dbraw/zinc/58/09/76/1100580976.db2.gz IRXBNAQILCMCHR-IPMKNSEASA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602285 1100581339 /nfs/dbraw/zinc/58/13/39/1100581339.db2.gz IRXBNAQILCMCHR-OTWHNJEPSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)[C@H]1CC ZINC001087602285 1100581343 /nfs/dbraw/zinc/58/13/43/1100581343.db2.gz IRXBNAQILCMCHR-OTWHNJEPSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130017 1101623070 /nfs/dbraw/zinc/62/30/70/1101623070.db2.gz RYVIKCBYXDQGML-QYZOEREBSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130017 1101623078 /nfs/dbraw/zinc/62/30/78/1101623078.db2.gz RYVIKCBYXDQGML-QYZOEREBSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001167437985 1101738218 /nfs/dbraw/zinc/73/82/18/1101738218.db2.gz LCYBYJOGGXCNCY-JKSUJKDBSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167437985 1101738231 /nfs/dbraw/zinc/73/82/31/1101738231.db2.gz LCYBYJOGGXCNCY-JKSUJKDBSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001088323582 1102915093 /nfs/dbraw/zinc/91/50/93/1102915093.db2.gz SUCVQAULYYBCNF-IAGOWNOFSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001088323582 1102915108 /nfs/dbraw/zinc/91/51/08/1102915108.db2.gz SUCVQAULYYBCNF-IAGOWNOFSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001088323584 1102915226 /nfs/dbraw/zinc/91/52/26/1102915226.db2.gz SUCVQAULYYBCNF-SJORKVTESA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001088323584 1102915230 /nfs/dbraw/zinc/91/52/30/1102915230.db2.gz SUCVQAULYYBCNF-SJORKVTESA-N 1 3 341.927 2.974 20 30 EFEDHO C[N@@H+]1CCCC[C@H]1CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000906502399 1104275116 /nfs/dbraw/zinc/27/51/16/1104275116.db2.gz ROBXNVKGWBVQRR-SFHVURJKSA-N 1 3 331.460 2.748 20 30 EFEDHO C[N@H+]1CCCC[C@H]1CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000906502399 1104275125 /nfs/dbraw/zinc/27/51/25/1104275125.db2.gz ROBXNVKGWBVQRR-SFHVURJKSA-N 1 3 331.460 2.748 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CCCC(C)C)CC2)CC1 ZINC001168307072 1106500999 /nfs/dbraw/zinc/50/09/99/1106500999.db2.gz CPOVWRPRQYYKCC-UHFFFAOYSA-N 1 3 347.547 2.644 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC/C=C\CC)CC2)CC1 ZINC001168307906 1106522412 /nfs/dbraw/zinc/52/24/12/1106522412.db2.gz MDOSGHUEQOETIB-WAYWQWQTSA-N 1 3 345.531 2.564 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658861 1108624735 /nfs/dbraw/zinc/62/47/35/1108624735.db2.gz JXVQGXOIQVFJHE-HFSMHLIXSA-N 1 3 345.531 2.940 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990658861 1108624741 /nfs/dbraw/zinc/62/47/41/1108624741.db2.gz JXVQGXOIQVFJHE-HFSMHLIXSA-N 1 3 345.531 2.940 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249399 1111219036 /nfs/dbraw/zinc/21/90/36/1111219036.db2.gz GLBWWGLSCQJLIS-BHIYHBOVSA-N 1 3 337.552 2.981 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386988 1112052077 /nfs/dbraw/zinc/05/20/77/1112052077.db2.gz WFLIMJPMHYGVTD-SFHVURJKSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089386988 1112052082 /nfs/dbraw/zinc/05/20/82/1112052082.db2.gz WFLIMJPMHYGVTD-SFHVURJKSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511353 1112255946 /nfs/dbraw/zinc/25/59/46/1112255946.db2.gz RJROUOONIJKPPE-OALUTQOASA-N 1 3 347.547 2.879 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511353 1112255950 /nfs/dbraw/zinc/25/59/50/1112255950.db2.gz RJROUOONIJKPPE-OALUTQOASA-N 1 3 347.547 2.879 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511254 1112256015 /nfs/dbraw/zinc/25/60/15/1112256015.db2.gz OYAGIMOWQAIVQB-RTBURBONSA-N 1 3 347.547 2.879 20 30 EFEDHO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089511254 1112256017 /nfs/dbraw/zinc/25/60/17/1112256017.db2.gz OYAGIMOWQAIVQB-RTBURBONSA-N 1 3 347.547 2.879 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC001483782898 1112457390 /nfs/dbraw/zinc/45/73/90/1112457390.db2.gz FGADERFGDLHIDZ-MRXNPFEDSA-N 1 3 335.879 2.670 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001483782898 1112457393 /nfs/dbraw/zinc/45/73/93/1112457393.db2.gz FGADERFGDLHIDZ-MRXNPFEDSA-N 1 3 335.879 2.670 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001483782898 1112457397 /nfs/dbraw/zinc/45/73/97/1112457397.db2.gz FGADERFGDLHIDZ-MRXNPFEDSA-N 1 3 335.879 2.670 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001089663656 1112607129 /nfs/dbraw/zinc/60/71/29/1112607129.db2.gz RSHRIMYXFOBJEJ-MOPGFXCFSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663656 1112607131 /nfs/dbraw/zinc/60/71/31/1112607131.db2.gz RSHRIMYXFOBJEJ-MOPGFXCFSA-N 1 3 347.547 2.737 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001089719298 1112939375 /nfs/dbraw/zinc/93/93/75/1112939375.db2.gz AUXPVOWDYRAETQ-IBGZPJMESA-N 1 3 347.547 2.901 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001484569019 1113027404 /nfs/dbraw/zinc/02/74/04/1113027404.db2.gz PNIQPBYUZKAUFK-BRWVUGGUSA-N 1 3 341.927 2.878 20 30 EFEDHO C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089847119 1118249541 /nfs/dbraw/zinc/24/95/41/1118249541.db2.gz RNCQWTDHQGTJND-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089847119 1118249545 /nfs/dbraw/zinc/24/95/45/1118249545.db2.gz RNCQWTDHQGTJND-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272718755 1119176963 /nfs/dbraw/zinc/17/69/63/1119176963.db2.gz MKKHRSZLPJQNBN-GOSISDBHSA-N 1 3 333.520 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180110 1120649017 /nfs/dbraw/zinc/64/90/17/1120649017.db2.gz KOIGVJIHCICAFQ-IEBWSBKVSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC000945180110 1120649018 /nfs/dbraw/zinc/64/90/18/1120649018.db2.gz KOIGVJIHCICAFQ-IEBWSBKVSA-N 1 3 347.547 2.594 20 30 EFEDHO [NH2+]=C(NCC1(N2CCCC2)CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000262520002 240358705 /nfs/dbraw/zinc/35/87/05/240358705.db2.gz HZQFPSKCUGVQND-UHFFFAOYSA-N 1 3 342.487 2.547 20 30 EFEDHO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000192834285 240066844 /nfs/dbraw/zinc/06/68/44/240066844.db2.gz JRVKEQHTBPPKSC-RBUKOAKNSA-N 1 3 327.472 2.815 20 30 EFEDHO CC(C)[C@]1(C)C[C@@H]1NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000263137060 240381190 /nfs/dbraw/zinc/38/11/90/240381190.db2.gz NTSCWPLKRBCWMQ-ICSRJNTNSA-N 1 3 328.504 2.990 20 30 EFEDHO C[C@@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000280403614 240866099 /nfs/dbraw/zinc/86/60/99/240866099.db2.gz VWCQXIBTSXJNRG-LPHOPBHVSA-N 1 3 338.455 2.621 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358161389 242114133 /nfs/dbraw/zinc/11/41/33/242114133.db2.gz XKWIXNVRQXFCAE-IAGOWNOFSA-N 1 3 336.524 2.589 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358161389 242114140 /nfs/dbraw/zinc/11/41/40/242114140.db2.gz XKWIXNVRQXFCAE-IAGOWNOFSA-N 1 3 336.524 2.589 20 30 EFEDHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000359877696 242170756 /nfs/dbraw/zinc/17/07/56/242170756.db2.gz QEYVKJDVGWAFJK-KRWDZBQOSA-N 1 3 336.524 2.581 20 30 EFEDHO C=CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccco1 ZINC000414192655 244042251 /nfs/dbraw/zinc/04/22/51/244042251.db2.gz MABWJDNYJZEHBF-SFHVURJKSA-N 1 3 347.503 2.673 20 30 EFEDHO C=CCN(CC=C)[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425899734 247209852 /nfs/dbraw/zinc/20/98/52/247209852.db2.gz MCDJUHZNYSDXCL-HXUWFJFHSA-N 1 3 346.519 2.930 20 30 EFEDHO C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000433298580 248041043 /nfs/dbraw/zinc/04/10/43/248041043.db2.gz AHLODIAUMOZFBZ-PKOBYXMFSA-N 1 3 327.472 2.997 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442709577 250105691 /nfs/dbraw/zinc/10/56/91/250105691.db2.gz OQZIASXRMOSJCO-FXAWDEMLSA-N 1 3 326.488 2.606 20 30 EFEDHO N#C[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000442778110 250115996 /nfs/dbraw/zinc/11/59/96/250115996.db2.gz JYFDFRLGGBUBFA-RBUKOAKNSA-N 1 3 326.488 2.871 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000443063509 250155094 /nfs/dbraw/zinc/15/50/94/250155094.db2.gz WSNNATQTDAZIGE-HOTGVXAUSA-N 1 3 335.517 2.712 20 30 EFEDHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039923 267104000 /nfs/dbraw/zinc/10/40/00/267104000.db2.gz BRRIJPGHCKLHKY-MRXNPFEDSA-N 1 3 348.878 2.956 20 30 EFEDHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000277039923 267104001 /nfs/dbraw/zinc/10/40/01/267104001.db2.gz BRRIJPGHCKLHKY-MRXNPFEDSA-N 1 3 348.878 2.956 20 30 EFEDHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271960323 267180037 /nfs/dbraw/zinc/18/00/37/267180037.db2.gz QZUKNOVCHRBMHM-BKTGTZMESA-N 1 3 331.435 2.726 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)N2CCCC2)cc1OC ZINC000264123003 274113016 /nfs/dbraw/zinc/11/30/16/274113016.db2.gz RLXQGYQLAGPXEK-INIZCTEOSA-N 1 3 348.491 2.941 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000424160142 276301326 /nfs/dbraw/zinc/30/13/26/276301326.db2.gz TUUPYKDMLMGCTQ-BHIYHBOVSA-N 1 3 342.487 2.692 20 30 EFEDHO CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424160142 276301327 /nfs/dbraw/zinc/30/13/27/276301327.db2.gz TUUPYKDMLMGCTQ-BHIYHBOVSA-N 1 3 342.487 2.692 20 30 EFEDHO C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC[C@H]1C ZINC000262492727 279240736 /nfs/dbraw/zinc/24/07/36/279240736.db2.gz JNLHHGIGPUAOHK-BFYDXBDKSA-N 1 3 330.476 2.677 20 30 EFEDHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000572951388 319719514 /nfs/dbraw/zinc/71/95/14/319719514.db2.gz MBHCHGKIFGIFCC-IWCVFHTOSA-N 1 3 328.460 2.621 20 30 EFEDHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000577326797 320098627 /nfs/dbraw/zinc/09/86/27/320098627.db2.gz QWXCMSCMQYANJL-SFHVURJKSA-N 1 3 326.488 2.847 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000057170079 472390932 /nfs/dbraw/zinc/39/09/32/472390932.db2.gz MLUCNODPWFWAKP-UHFFFAOYSA-N 1 3 339.483 2.956 20 30 EFEDHO C#Cc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000077201337 472471582 /nfs/dbraw/zinc/47/15/82/472471582.db2.gz RFXARVIUBZMWOZ-IBGZPJMESA-N 1 3 342.487 2.548 20 30 EFEDHO C#Cc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000077201337 472471587 /nfs/dbraw/zinc/47/15/87/472471587.db2.gz RFXARVIUBZMWOZ-IBGZPJMESA-N 1 3 342.487 2.548 20 30 EFEDHO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000130383196 472602602 /nfs/dbraw/zinc/60/26/02/472602602.db2.gz WKRIDDSHYYEWDO-WMZOPIPTSA-N 1 3 343.471 2.568 20 30 EFEDHO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000130383638 472602674 /nfs/dbraw/zinc/60/26/74/472602674.db2.gz WKRIDDSHYYEWDO-FUHWJXTLSA-N 1 3 343.471 2.568 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@H](C)N2CCC[C@@H](C)C2)cc1OC ZINC000104167988 472659729 /nfs/dbraw/zinc/65/97/29/472659729.db2.gz RHIXUUCJOGBTOC-KGLIPLIRSA-N 1 3 334.464 2.551 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000106337037 472841140 /nfs/dbraw/zinc/84/11/40/472841140.db2.gz WPVQNCLQHDXPIH-UHFFFAOYSA-N 1 3 336.524 2.591 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710704 472858326 /nfs/dbraw/zinc/85/83/26/472858326.db2.gz KBSITDKRUCCTOJ-QYZOEREBSA-N 1 3 348.535 2.563 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000073710704 472858332 /nfs/dbraw/zinc/85/83/32/472858332.db2.gz KBSITDKRUCCTOJ-QYZOEREBSA-N 1 3 348.535 2.563 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185383967 473411917 /nfs/dbraw/zinc/41/19/17/473411917.db2.gz MLAAMKXUDCCPSI-QGZVFWFLSA-N 1 3 336.524 2.591 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000177687784 473418334 /nfs/dbraw/zinc/41/83/34/473418334.db2.gz JOKKDXGBGLEYRM-UHFFFAOYSA-N 1 3 340.496 2.657 20 30 EFEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185782200 473512649 /nfs/dbraw/zinc/51/26/49/473512649.db2.gz NWNVBBBTDGFPTC-GHTZIAJQSA-N 1 3 340.515 2.996 20 30 EFEDHO Cn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180049610 473786088 /nfs/dbraw/zinc/78/60/88/473786088.db2.gz MTRMISXCEUCAMV-INIZCTEOSA-N 1 3 335.455 2.533 20 30 EFEDHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000281812572 473845931 /nfs/dbraw/zinc/84/59/31/473845931.db2.gz WDMDYQVLIACQJJ-IYBDPMFKSA-N 1 3 331.460 2.546 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000264086213 473949342 /nfs/dbraw/zinc/94/93/42/473949342.db2.gz JIGREJNCGAPOCJ-QRVBRYPASA-N 1 3 344.503 2.543 20 30 EFEDHO COc1ccc(CN2CCC(CNC(=[NH2+])NC(C)(C)C)CC2)cc1 ZINC000264113631 473950051 /nfs/dbraw/zinc/95/00/51/473950051.db2.gz RWBQOOQTGIDYSD-UHFFFAOYSA-N 1 3 332.492 2.610 20 30 EFEDHO CN(C)CCOc1ccc(CCNC(=[NH2+])Nc2ccccc2)cc1 ZINC000264261452 473957982 /nfs/dbraw/zinc/95/79/82/473957982.db2.gz JLEHVLWTHGFODK-UHFFFAOYSA-N 1 3 326.444 2.596 20 30 EFEDHO C=CCN1CCC(NC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000264512546 474019803 /nfs/dbraw/zinc/01/98/03/474019803.db2.gz UIUCQIVSOHPVII-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OCC#N)cc1 ZINC000181774252 474062810 /nfs/dbraw/zinc/06/28/10/474062810.db2.gz SQSHEYOAEUOYIN-IAGOWNOFSA-N 1 3 343.471 2.740 20 30 EFEDHO C#CCCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289484249 474289535 /nfs/dbraw/zinc/28/95/35/474289535.db2.gz QXGNSLOAFOSXJV-UHFFFAOYSA-N 1 3 343.515 2.547 20 30 EFEDHO C=CCOc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289657537 474365435 /nfs/dbraw/zinc/36/54/35/474365435.db2.gz COVUUULASKJEIB-UHFFFAOYSA-N 1 3 331.504 2.709 20 30 EFEDHO CC(C)(CCC#N)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000266166653 474421966 /nfs/dbraw/zinc/42/19/66/474421966.db2.gz AVVBCGQCJQSRGB-UHFFFAOYSA-N 1 3 329.492 2.513 20 30 EFEDHO N#CCOc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266782098 474481412 /nfs/dbraw/zinc/48/14/12/474481412.db2.gz XUCHETWOWWARQD-UHFFFAOYSA-N 1 3 343.471 2.666 20 30 EFEDHO C=CCC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC1 ZINC000271552608 474582041 /nfs/dbraw/zinc/58/20/41/474582041.db2.gz WCAGVXAEVJDBPH-IBGZPJMESA-N 1 3 329.488 2.812 20 30 EFEDHO CN1CC=C(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271877020 474596925 /nfs/dbraw/zinc/59/69/25/474596925.db2.gz ZPWCDMLYQOSMAO-UHFFFAOYSA-N 1 3 335.455 2.815 20 30 EFEDHO C[N@H+]1CC=C(CNCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271877020 474596930 /nfs/dbraw/zinc/59/69/30/474596930.db2.gz ZPWCDMLYQOSMAO-UHFFFAOYSA-N 1 3 335.455 2.815 20 30 EFEDHO C[N@@H+]1CC=C(CNCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271877020 474596936 /nfs/dbraw/zinc/59/69/36/474596936.db2.gz ZPWCDMLYQOSMAO-UHFFFAOYSA-N 1 3 335.455 2.815 20 30 EFEDHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478476 474656342 /nfs/dbraw/zinc/65/63/42/474656342.db2.gz KJNHDUTWLHBTLS-IAGOWNOFSA-N 1 3 331.460 2.740 20 30 EFEDHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478476 474656347 /nfs/dbraw/zinc/65/63/47/474656347.db2.gz KJNHDUTWLHBTLS-IAGOWNOFSA-N 1 3 331.460 2.740 20 30 EFEDHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478478 474656374 /nfs/dbraw/zinc/65/63/74/474656374.db2.gz KJNHDUTWLHBTLS-SJORKVTESA-N 1 3 331.460 2.740 20 30 EFEDHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000278478478 474656378 /nfs/dbraw/zinc/65/63/78/474656378.db2.gz KJNHDUTWLHBTLS-SJORKVTESA-N 1 3 331.460 2.740 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1coc(-c2ccc(C)cc2)n1 ZINC000267387492 474666462 /nfs/dbraw/zinc/66/64/62/474666462.db2.gz CEMBEOLALGPEMU-KRWDZBQOSA-N 1 3 341.459 2.539 20 30 EFEDHO CC(C)[NH+]1CCC(O)(CNCc2cccc(OCCCC#N)c2)CC1 ZINC000344628682 474774224 /nfs/dbraw/zinc/77/42/24/474774224.db2.gz HSLGZJFNZVCISH-UHFFFAOYSA-N 1 3 345.487 2.694 20 30 EFEDHO C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000280403622 475023344 /nfs/dbraw/zinc/02/33/44/475023344.db2.gz VWCQXIBTSXJNRG-VQIMIIECSA-N 1 3 338.455 2.621 20 30 EFEDHO C[C@H](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000280403610 475024525 /nfs/dbraw/zinc/02/45/25/475024525.db2.gz VWCQXIBTSXJNRG-APWZRJJASA-N 1 3 338.455 2.621 20 30 EFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268969411 475103665 /nfs/dbraw/zinc/10/36/65/475103665.db2.gz MMJPKGUHHHBBKB-RTWAWAEBSA-N 1 3 342.483 2.556 20 30 EFEDHO CC[N@@H+]1CC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000347326916 475232983 /nfs/dbraw/zinc/23/29/83/475232983.db2.gz XKYWBRMJUFHXLM-AYBZRNKSSA-N 1 3 344.478 2.986 20 30 EFEDHO CC[N@H+]1CC[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000347326916 475232990 /nfs/dbraw/zinc/23/29/90/475232990.db2.gz XKYWBRMJUFHXLM-AYBZRNKSSA-N 1 3 344.478 2.986 20 30 EFEDHO C=CC[N@@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055012 475372032 /nfs/dbraw/zinc/37/20/32/475372032.db2.gz XXZDZOJHEVRPDF-WMZOPIPTSA-N 1 3 340.475 2.696 20 30 EFEDHO C=CC[N@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055012 475372038 /nfs/dbraw/zinc/37/20/38/475372038.db2.gz XXZDZOJHEVRPDF-WMZOPIPTSA-N 1 3 340.475 2.696 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000346306433 475581932 /nfs/dbraw/zinc/58/19/32/475581932.db2.gz NDQOEPWBJUITRD-MOPGFXCFSA-N 1 3 325.456 2.846 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000353241190 475797407 /nfs/dbraw/zinc/79/74/07/475797407.db2.gz LHRIFGACKDMRII-HKBOAZHASA-N 1 3 339.483 2.903 20 30 EFEDHO C[NH+](C)CCOc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353268635 475819277 /nfs/dbraw/zinc/81/92/77/475819277.db2.gz RIPQKTCJULOIAR-IBGZPJMESA-N 1 3 336.439 2.671 20 30 EFEDHO CCN1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000350344552 476144543 /nfs/dbraw/zinc/14/45/43/476144543.db2.gz ZUOLCBXMDTUKAD-QGZVFWFLSA-N 1 3 337.471 2.780 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(CC#N)cc1 ZINC000344116926 476161066 /nfs/dbraw/zinc/16/10/66/476161066.db2.gz BBMXBRQRUIOCMI-UHFFFAOYSA-N 1 3 328.504 2.602 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(CC#N)cc1 ZINC000344116926 476161073 /nfs/dbraw/zinc/16/10/73/476161073.db2.gz BBMXBRQRUIOCMI-UHFFFAOYSA-N 1 3 328.504 2.602 20 30 EFEDHO CCN1CCN(CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360833964 476416467 /nfs/dbraw/zinc/41/64/67/476416467.db2.gz IBIMUMFKIMMUBS-OAQYLSRUSA-N 1 3 340.515 2.943 20 30 EFEDHO CN(C)CCN1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838360 476420101 /nfs/dbraw/zinc/42/01/01/476420101.db2.gz UFAVUWIWHDYZNK-OAQYLSRUSA-N 1 3 340.515 2.941 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000369581470 476426943 /nfs/dbraw/zinc/42/69/43/476426943.db2.gz CKTUSEMUSJQOFS-OALUTQOASA-N 1 3 348.535 2.565 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000369581470 476426949 /nfs/dbraw/zinc/42/69/49/476426949.db2.gz CKTUSEMUSJQOFS-OALUTQOASA-N 1 3 348.535 2.565 20 30 EFEDHO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431034471 476965678 /nfs/dbraw/zinc/96/56/78/476965678.db2.gz WZBWMXQFMAYOMT-MRXNPFEDSA-N 1 3 347.528 2.727 20 30 EFEDHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1 ZINC000447531625 477006665 /nfs/dbraw/zinc/00/66/65/477006665.db2.gz RWUPHUCCTGBMAM-LJQANCHMSA-N 1 3 342.487 2.542 20 30 EFEDHO CC1(C)CCC[NH2+][C@H]1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000423389058 477014665 /nfs/dbraw/zinc/01/46/65/477014665.db2.gz NHKISXCEENNJFR-IBGZPJMESA-N 1 3 326.488 2.895 20 30 EFEDHO C=CCC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000411474209 477247855 /nfs/dbraw/zinc/24/78/55/477247855.db2.gz QKLHVUZIZILNAU-LJQANCHMSA-N 1 3 329.488 2.884 20 30 EFEDHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)CC1 ZINC000424134329 477302409 /nfs/dbraw/zinc/30/24/09/477302409.db2.gz NJHCDSCAURDTHJ-LJQANCHMSA-N 1 3 342.487 2.556 20 30 EFEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821063 477890190 /nfs/dbraw/zinc/89/01/90/477890190.db2.gz RDJDSSXRWSQCBM-YJBOKZPZSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000438821063 477890200 /nfs/dbraw/zinc/89/02/00/477890200.db2.gz RDJDSSXRWSQCBM-YJBOKZPZSA-N 1 3 328.460 2.691 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N(CC)CCC[NH+](CC)CC)CC1 ZINC000472103977 478013001 /nfs/dbraw/zinc/01/30/01/478013001.db2.gz LWVQGJZWUUCJOF-UHFFFAOYSA-N 1 3 338.540 2.790 20 30 EFEDHO Cc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1C#N ZINC000488447724 478150251 /nfs/dbraw/zinc/15/02/51/478150251.db2.gz XHRVGWDZZUZGLN-UHFFFAOYSA-N 1 3 327.472 2.944 20 30 EFEDHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710199 478474514 /nfs/dbraw/zinc/47/45/14/478474514.db2.gz JUASGVMEDQREOO-AZUAARDMSA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C#N)CCc1ccccc1)C2 ZINC000597710199 478474522 /nfs/dbraw/zinc/47/45/22/478474522.db2.gz JUASGVMEDQREOO-AZUAARDMSA-N 1 3 325.456 2.703 20 30 EFEDHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859535 478547171 /nfs/dbraw/zinc/54/71/71/478547171.db2.gz FBPNLSMSAFRTNY-ZWKOTPCHSA-N 1 3 327.472 2.996 20 30 EFEDHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000597859535 478547177 /nfs/dbraw/zinc/54/71/77/478547177.db2.gz FBPNLSMSAFRTNY-ZWKOTPCHSA-N 1 3 327.472 2.996 20 30 EFEDHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570793 478583201 /nfs/dbraw/zinc/58/32/01/478583201.db2.gz OHEWISPXKMEPJU-VQIMIIECSA-N 1 3 341.503 2.822 20 30 EFEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000598595903 478919208 /nfs/dbraw/zinc/91/92/08/478919208.db2.gz PFWWEYDPKDYUKD-MOPGFXCFSA-N 1 3 329.488 2.741 20 30 EFEDHO CN(C[C@@H](O)CC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598595903 478919212 /nfs/dbraw/zinc/91/92/12/478919212.db2.gz PFWWEYDPKDYUKD-MOPGFXCFSA-N 1 3 329.488 2.741 20 30 EFEDHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316033 479038563 /nfs/dbraw/zinc/03/85/63/479038563.db2.gz XSRJYWZDJPBPOJ-KYJSFNMBSA-N 1 3 330.451 2.644 20 30 EFEDHO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCCCN1 ZINC000593323103 479295043 /nfs/dbraw/zinc/29/50/43/479295043.db2.gz PRXFFHWWGDOVOE-JXFKEZNVSA-N 1 3 326.488 2.643 20 30 EFEDHO C[C@H](NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000593323103 479295045 /nfs/dbraw/zinc/29/50/45/479295045.db2.gz PRXFFHWWGDOVOE-JXFKEZNVSA-N 1 3 326.488 2.643 20 30 EFEDHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390611 479366188 /nfs/dbraw/zinc/36/61/88/479366188.db2.gz KWGPMMMORWQMTI-HXUWFJFHSA-N 1 3 326.488 2.553 20 30 EFEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602592005 479413705 /nfs/dbraw/zinc/41/37/05/479413705.db2.gz GHVJVJZOZSNXFI-MOPGFXCFSA-N 1 3 342.487 2.569 20 30 EFEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602592005 479413711 /nfs/dbraw/zinc/41/37/11/479413711.db2.gz GHVJVJZOZSNXFI-MOPGFXCFSA-N 1 3 342.487 2.569 20 30 EFEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000644532013 480421682 /nfs/dbraw/zinc/42/16/82/480421682.db2.gz QQYJHAPOZKBXSZ-QUCCMNQESA-N 1 3 346.515 2.865 20 30 EFEDHO C=CCN1CCC(NC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641783565 481071930 /nfs/dbraw/zinc/07/19/30/481071930.db2.gz OJDCIWAQOBMUAS-UHFFFAOYSA-N 1 3 336.524 2.544 20 30 EFEDHO C=CCN1CCC(NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668369371 482102371 /nfs/dbraw/zinc/10/23/71/482102371.db2.gz WEPSEZUYUHXBRX-HXUWFJFHSA-N 1 3 341.499 2.633 20 30 EFEDHO CCCN1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181557785 528262715 /nfs/dbraw/zinc/26/27/15/528262715.db2.gz GUPVJUSAYTWZAZ-HXUWFJFHSA-N 1 3 340.515 2.844 20 30 EFEDHO C=CCCn1cc(CNCC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000657337987 547117522 /nfs/dbraw/zinc/11/75/22/547117522.db2.gz FILAYWZNQZWGQQ-UHFFFAOYSA-N 1 3 345.516 2.918 20 30 EFEDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769515472 577369230 /nfs/dbraw/zinc/36/92/30/577369230.db2.gz QYMKHGPUNJKCCZ-FXAWDEMLSA-N 1 3 345.487 2.910 20 30 EFEDHO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001752508315 1249750585 /nfs/dbraw/zinc/75/05/85/1249750585.db2.gz QRDGZHKJNJGIHP-ROUUACIJSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001752508315 1249750595 /nfs/dbraw/zinc/75/05/95/1249750595.db2.gz QRDGZHKJNJGIHP-ROUUACIJSA-N 1 3 335.536 2.996 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCC=C)CC1 ZINC001089735903 1252342207 /nfs/dbraw/zinc/34/22/07/1252342207.db2.gz QMQPLNUCPMJTEF-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC=C)CC1 ZINC001089735903 1252342212 /nfs/dbraw/zinc/34/22/12/1252342212.db2.gz QMQPLNUCPMJTEF-IBGZPJMESA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996662028 1255673281 /nfs/dbraw/zinc/67/32/81/1255673281.db2.gz LRKLHKGDZOIIBX-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996662025 1255673660 /nfs/dbraw/zinc/67/36/60/1255673660.db2.gz LRKLHKGDZOIIBX-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444601 1255834689 /nfs/dbraw/zinc/83/46/89/1255834689.db2.gz QVSSYCFWAUNOHV-WSTZPKSXSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444601 1255834702 /nfs/dbraw/zinc/83/47/02/1255834702.db2.gz QVSSYCFWAUNOHV-WSTZPKSXSA-N 1 3 335.536 2.900 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC000997435536 1257580378 /nfs/dbraw/zinc/58/03/78/1257580378.db2.gz VBFYJBJXJAPBDO-ZWKOTPCHSA-N 1 3 347.547 2.594 20 30 EFEDHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997431133 1257596018 /nfs/dbraw/zinc/59/60/18/1257596018.db2.gz KOKIHTKHLOHPTK-QGZVFWFLSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC000997829558 1258503288 /nfs/dbraw/zinc/50/32/88/1258503288.db2.gz QWKJZHCKTIDRFS-AZUAARDMSA-N 1 3 347.547 2.881 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000998006319 1258936626 /nfs/dbraw/zinc/93/66/26/1258936626.db2.gz RRDVMSRUJDLPTE-RTBURBONSA-N 1 3 333.520 2.586 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998006319 1258936633 /nfs/dbraw/zinc/93/66/33/1258936633.db2.gz RRDVMSRUJDLPTE-RTBURBONSA-N 1 3 333.520 2.586 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020329 1258971193 /nfs/dbraw/zinc/97/11/93/1258971193.db2.gz CIWXFKILEWTSLI-WOJBJXKFSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020329 1258971199 /nfs/dbraw/zinc/97/11/99/1258971199.db2.gz CIWXFKILEWTSLI-WOJBJXKFSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998020314 1258971752 /nfs/dbraw/zinc/97/17/52/1258971752.db2.gz CIWXFKILEWTSLI-PMACEKPBSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998020314 1258971754 /nfs/dbraw/zinc/97/17/54/1258971754.db2.gz CIWXFKILEWTSLI-PMACEKPBSA-N 1 3 347.547 2.691 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000999504318 1260694225 /nfs/dbraw/zinc/69/42/25/1260694225.db2.gz ZCGFBLJHSLXFFW-FHERZECASA-N 1 3 327.900 2.582 20 30 EFEDHO C=CCN1c2ccccc2[C@]2(CCN(CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870462 1261196666 /nfs/dbraw/zinc/19/66/66/1261196666.db2.gz PQDWXAJENHLUQL-OAQYLSRUSA-N 1 3 341.499 2.751 20 30 EFEDHO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819415 1262362351 /nfs/dbraw/zinc/36/23/51/1262362351.db2.gz NAZFDFODXPQTNX-RBUKOAKNSA-N 1 3 341.499 2.955 20 30 EFEDHO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819062 1262362588 /nfs/dbraw/zinc/36/25/88/1262362588.db2.gz IDHZTMXBJKVNEL-QZTJIDSGSA-N 1 3 327.472 2.565 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001085284647 1267017412 /nfs/dbraw/zinc/01/74/12/1267017412.db2.gz FSZJQKLASDWELG-ZACQAIPSSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456321 1267083307 /nfs/dbraw/zinc/08/33/07/1267083307.db2.gz DLUMMOMSMFJEKK-UXHICEINSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456321 1267083320 /nfs/dbraw/zinc/08/33/20/1267083320.db2.gz DLUMMOMSMFJEKK-UXHICEINSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457970 1267093742 /nfs/dbraw/zinc/09/37/42/1267093742.db2.gz MULUAOZGCMTARM-RBUKOAKNSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457970 1267093753 /nfs/dbraw/zinc/09/37/53/1267093753.db2.gz MULUAOZGCMTARM-RBUKOAKNSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545618 1267266775 /nfs/dbraw/zinc/26/67/75/1267266775.db2.gz FCGQKPGNASDMHA-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545618 1267266784 /nfs/dbraw/zinc/26/67/84/1267266784.db2.gz FCGQKPGNASDMHA-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539545 1267280729 /nfs/dbraw/zinc/28/07/29/1267280729.db2.gz KCTWHRCAWFELPB-RBUKOAKNSA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539545 1267280737 /nfs/dbraw/zinc/28/07/37/1267280737.db2.gz KCTWHRCAWFELPB-RBUKOAKNSA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001085380464 1267317645 /nfs/dbraw/zinc/31/76/45/1267317645.db2.gz ZVQCMSRIHYVMKV-IAGOWNOFSA-N 1 3 341.927 2.876 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004619010 1267413447 /nfs/dbraw/zinc/41/34/47/1267413447.db2.gz ZEFQKASEAGJYGV-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004619010 1267413448 /nfs/dbraw/zinc/41/34/48/1267413448.db2.gz ZEFQKASEAGJYGV-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004620850 1267416814 /nfs/dbraw/zinc/41/68/14/1267416814.db2.gz RLLIDYKSTHRAFH-RTBURBONSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004620850 1267416816 /nfs/dbraw/zinc/41/68/16/1267416816.db2.gz RLLIDYKSTHRAFH-RTBURBONSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598102 1267962238 /nfs/dbraw/zinc/96/22/38/1267962238.db2.gz MYRMGIHPDIUOFA-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598102 1267962243 /nfs/dbraw/zinc/96/22/43/1267962243.db2.gz MYRMGIHPDIUOFA-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639971 1268095291 /nfs/dbraw/zinc/09/52/91/1268095291.db2.gz ZOLKHCRUOMBRFC-RBUKOAKNSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639971 1268095304 /nfs/dbraw/zinc/09/53/04/1268095304.db2.gz ZOLKHCRUOMBRFC-RBUKOAKNSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683919 1269791216 /nfs/dbraw/zinc/79/12/16/1269791216.db2.gz JPOKLUYENWKDNK-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683919 1269791224 /nfs/dbraw/zinc/79/12/24/1269791224.db2.gz JPOKLUYENWKDNK-IBGZPJMESA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001086106966 1269997236 /nfs/dbraw/zinc/99/72/36/1269997236.db2.gz GAZFDHMUWWDXRM-UXLLHSPISA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106966 1269997242 /nfs/dbraw/zinc/99/72/42/1269997242.db2.gz GAZFDHMUWWDXRM-UXLLHSPISA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732464 1272755454 /nfs/dbraw/zinc/75/54/54/1272755454.db2.gz BIFQKJCVQGVTAJ-GPMSIDNRSA-N 1 3 339.499 2.792 20 30 EFEDHO C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108687695 1273362261 /nfs/dbraw/zinc/36/22/61/1273362261.db2.gz IAOIFZCTCTWRDT-BZSNNMDCSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764028 1273466915 /nfs/dbraw/zinc/46/69/15/1273466915.db2.gz BSYRQCAKEIADOM-KSZLIROESA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108785449 1273472050 /nfs/dbraw/zinc/47/20/50/1273472050.db2.gz FNDIFABRSZXPDK-OTWHNJEPSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001108830831 1273522156 /nfs/dbraw/zinc/52/21/56/1273522156.db2.gz YLJSANCUXHBQEH-SXLOBPIMSA-N 1 3 341.499 2.907 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193645 1273815502 /nfs/dbraw/zinc/81/55/02/1273815502.db2.gz KEMKLPLUFWGGTK-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193645 1273815513 /nfs/dbraw/zinc/81/55/13/1273815513.db2.gz KEMKLPLUFWGGTK-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193646 1273815812 /nfs/dbraw/zinc/81/58/12/1273815812.db2.gz KEMKLPLUFWGGTK-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193646 1273815822 /nfs/dbraw/zinc/81/58/22/1273815822.db2.gz KEMKLPLUFWGGTK-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194716 1273817803 /nfs/dbraw/zinc/81/78/03/1273817803.db2.gz ZLQZOVNYUDNVOV-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194716 1273817808 /nfs/dbraw/zinc/81/78/08/1273817808.db2.gz ZLQZOVNYUDNVOV-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035226990 1273847979 /nfs/dbraw/zinc/84/79/79/1273847979.db2.gz MDLQGHAIJYLDQS-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035226990 1273847981 /nfs/dbraw/zinc/84/79/81/1273847981.db2.gz MDLQGHAIJYLDQS-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035810439 1274540668 /nfs/dbraw/zinc/54/06/68/1274540668.db2.gz LHSJHFKUBDRNHF-GOSISDBHSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814985 1274548424 /nfs/dbraw/zinc/54/84/24/1274548424.db2.gz XCAVTEXRQGYIOY-MSOLQXFVSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814985 1274548427 /nfs/dbraw/zinc/54/84/27/1274548427.db2.gz XCAVTEXRQGYIOY-MSOLQXFVSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836106 1274572968 /nfs/dbraw/zinc/57/29/68/1274572968.db2.gz GHXUOJUQTYEMEH-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836108 1274573231 /nfs/dbraw/zinc/57/32/31/1274573231.db2.gz GHXUOJUQTYEMEH-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036302548 1275383983 /nfs/dbraw/zinc/38/39/83/1275383983.db2.gz JIJUAGIGOWBIFQ-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO [NH2+]=C(Nc1ccc2c(c1)COC21CNC1)c1ccc2cc(O)ccc2c1 ZINC001171185075 1279644477 /nfs/dbraw/zinc/64/44/77/1279644477.db2.gz DUYGINOJTFPXQW-UHFFFAOYSA-N 1 3 345.402 2.911 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175273848 1287369819 /nfs/dbraw/zinc/36/98/19/1287369819.db2.gz XTJPPAXJEIPJOK-OAHLLOKOSA-N 1 3 331.932 2.981 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001146613695 1280952183 /nfs/dbraw/zinc/95/21/83/1280952183.db2.gz UPBNRSHUSXSBPB-QZTJIDSGSA-N 1 3 347.547 2.785 20 30 EFEDHO CCCCCCC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148285090 1281495380 /nfs/dbraw/zinc/49/53/80/1281495380.db2.gz MEOOVSQSJBNTBL-GOSISDBHSA-N 1 3 335.536 2.833 20 30 EFEDHO CCCCCCC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148285090 1281495384 /nfs/dbraw/zinc/49/53/84/1281495384.db2.gz MEOOVSQSJBNTBL-GOSISDBHSA-N 1 3 335.536 2.833 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148457925 1281557072 /nfs/dbraw/zinc/55/70/72/1281557072.db2.gz DSKONDFKHZURJC-UHFFFAOYSA-N 1 3 335.536 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001148457925 1281557080 /nfs/dbraw/zinc/55/70/80/1281557080.db2.gz DSKONDFKHZURJC-UHFFFAOYSA-N 1 3 335.536 2.999 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942106 1281972604 /nfs/dbraw/zinc/97/26/04/1281972604.db2.gz JBDXLBAVVYKYJG-MSOLQXFVSA-N 1 3 333.520 2.607 20 30 EFEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947231 1281986979 /nfs/dbraw/zinc/98/69/79/1281986979.db2.gz SCRXQJIQEBFRKY-RTBURBONSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071234 1282367056 /nfs/dbraw/zinc/36/70/56/1282367056.db2.gz MLTOAUOBLKBHSX-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071234 1282367068 /nfs/dbraw/zinc/36/70/68/1282367068.db2.gz MLTOAUOBLKBHSX-GGPKGHCWSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158480456 1282478494 /nfs/dbraw/zinc/47/84/94/1282478494.db2.gz MPLNLCMARQGUHZ-GOSISDBHSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001158480456 1282478503 /nfs/dbraw/zinc/47/85/03/1282478503.db2.gz MPLNLCMARQGUHZ-GOSISDBHSA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093223903 1283513418 /nfs/dbraw/zinc/51/34/18/1283513418.db2.gz JDYIBWXWDMTUAZ-SJLPKXTDSA-N 1 3 329.488 2.622 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093223903 1283513425 /nfs/dbraw/zinc/51/34/25/1283513425.db2.gz JDYIBWXWDMTUAZ-SJLPKXTDSA-N 1 3 329.488 2.622 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518632 1283779524 /nfs/dbraw/zinc/77/95/24/1283779524.db2.gz LZVJSNCXMUFHNJ-AZUAARDMSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518632 1283779534 /nfs/dbraw/zinc/77/95/34/1283779534.db2.gz LZVJSNCXMUFHNJ-AZUAARDMSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC/C=C\CC)C2)CC1 ZINC001132518642 1283779842 /nfs/dbraw/zinc/77/98/42/1283779842.db2.gz MBUNGTBRALHSIV-DDRDIHNTSA-N 1 3 345.531 2.657 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC/C=C\CC)C2)CC1 ZINC001132518642 1283779852 /nfs/dbraw/zinc/77/98/52/1283779852.db2.gz MBUNGTBRALHSIV-DDRDIHNTSA-N 1 3 345.531 2.657 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093371650 1283809429 /nfs/dbraw/zinc/80/94/29/1283809429.db2.gz AMFANZCPEAUADU-MOPGFXCFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093371650 1283809442 /nfs/dbraw/zinc/80/94/42/1283809442.db2.gz AMFANZCPEAUADU-MOPGFXCFSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372611 1283812864 /nfs/dbraw/zinc/81/28/64/1283812864.db2.gz FYCLTMXLORKAEO-RTBURBONSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372611 1283812873 /nfs/dbraw/zinc/81/28/73/1283812873.db2.gz FYCLTMXLORKAEO-RTBURBONSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132832496 1284361756 /nfs/dbraw/zinc/36/17/56/1284361756.db2.gz XNZXUXANBXZSOI-QZTJIDSGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120782 1284830027 /nfs/dbraw/zinc/83/00/27/1284830027.db2.gz AYPMBROLSGIARV-ROUUACIJSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194475 1284972344 /nfs/dbraw/zinc/97/23/44/1284972344.db2.gz GJYCGWDQKJVBDF-RBUKOAKNSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133196176 1284973498 /nfs/dbraw/zinc/97/34/98/1284973498.db2.gz TXZYGVWGZREOBS-MOPGFXCFSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528921 1285255349 /nfs/dbraw/zinc/25/53/49/1285255349.db2.gz BRUHEWHQJPWNBY-QWFCFKBJSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094528921 1285255358 /nfs/dbraw/zinc/25/53/58/1285255358.db2.gz BRUHEWHQJPWNBY-QWFCFKBJSA-N 1 3 333.520 2.796 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529201 1285257961 /nfs/dbraw/zinc/25/79/61/1285257961.db2.gz LIGWEPSWRQNISB-QKNQBKEWSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529201 1285257972 /nfs/dbraw/zinc/25/79/72/1285257972.db2.gz LIGWEPSWRQNISB-QKNQBKEWSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529389 1285258469 /nfs/dbraw/zinc/25/84/69/1285258469.db2.gz QRNUEERHSPTBEY-QKNQBKEWSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529389 1285258476 /nfs/dbraw/zinc/25/84/76/1285258476.db2.gz QRNUEERHSPTBEY-QKNQBKEWSA-N 1 3 345.531 2.633 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1(N(C)C)CCC1 ZINC001133398381 1285315903 /nfs/dbraw/zinc/31/59/03/1285315903.db2.gz SUSUVAVSYURRLS-UHFFFAOYSA-N 1 3 349.906 2.929 20 30 EFEDHO C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)N(C)C ZINC001133399363 1285323395 /nfs/dbraw/zinc/32/33/95/1285323395.db2.gz KUHMADDCRQHSEK-GOSISDBHSA-N 1 3 349.906 2.622 20 30 EFEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CCC[C@@H]1C ZINC001133403832 1285355950 /nfs/dbraw/zinc/35/59/50/1285355950.db2.gz LNJLMJNAOPLWEW-INIZCTEOSA-N 1 3 349.906 2.929 20 30 EFEDHO C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(CC)CC ZINC001133407491 1285366489 /nfs/dbraw/zinc/36/64/89/1285366489.db2.gz IBQFTUNDISBJFU-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)CCC ZINC001133410361 1285369868 /nfs/dbraw/zinc/36/98/68/1285369868.db2.gz AZSLTTZKADBHQC-UHFFFAOYSA-N 1 3 349.906 2.623 20 30 EFEDHO CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2C[NH3+])C[C@H]1C#N ZINC001172981708 1286364973 /nfs/dbraw/zinc/36/49/73/1286364973.db2.gz NTVLKADNFQYBRJ-IRXDYDNUSA-N 1 3 344.459 2.527 20 30 EFEDHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176279665 1287920789 /nfs/dbraw/zinc/92/07/89/1287920789.db2.gz PDYLHDMPQNBSAM-LJQANCHMSA-N 1 3 343.515 2.645 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC(=C)C)CC1 ZINC001176737665 1288089251 /nfs/dbraw/zinc/08/92/51/1288089251.db2.gz MJXWAWVIWCJBMY-GOSISDBHSA-N 1 3 333.520 2.562 20 30 EFEDHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC#Cc1ccccc1 ZINC001176754639 1288120921 /nfs/dbraw/zinc/12/09/21/1288120921.db2.gz XEARDHIBIVSAAD-LJQANCHMSA-N 1 3 343.515 2.643 20 30 EFEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(C)C ZINC001177317424 1288385709 /nfs/dbraw/zinc/38/57/09/1288385709.db2.gz WIBYGQYINDCZHK-FQEVSTJZSA-N 1 3 347.547 2.881 20 30 EFEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177340027 1288398848 /nfs/dbraw/zinc/39/88/48/1288398848.db2.gz XRONCNTVVMMGEH-LJQANCHMSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477625 1288464168 /nfs/dbraw/zinc/46/41/68/1288464168.db2.gz JREKKJWIOQGJLX-QGZVFWFLSA-N 1 3 341.927 2.689 20 30 EFEDHO C=C(Cl)CNCCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477625 1288464172 /nfs/dbraw/zinc/46/41/72/1288464172.db2.gz JREKKJWIOQGJLX-QGZVFWFLSA-N 1 3 341.927 2.689 20 30 EFEDHO C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H](CC)N(C)C ZINC001178816184 1288946084 /nfs/dbraw/zinc/94/60/84/1288946084.db2.gz VWQKNGUXLCHBHD-CQSZACIVSA-N 1 3 348.329 2.501 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204165 1289442754 /nfs/dbraw/zinc/44/27/54/1289442754.db2.gz JQDCOMCAQPVICL-LPHOPBHVSA-N 1 3 329.488 2.907 20 30 EFEDHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000719925773 1289932300 /nfs/dbraw/zinc/93/23/00/1289932300.db2.gz PWVDWGJCFDYRDX-MOPGFXCFSA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000719925773 1289932312 /nfs/dbraw/zinc/93/23/12/1289932312.db2.gz PWVDWGJCFDYRDX-MOPGFXCFSA-N 1 3 342.487 2.521 20 30 EFEDHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000719925773 1289932323 /nfs/dbraw/zinc/93/23/23/1289932323.db2.gz PWVDWGJCFDYRDX-MOPGFXCFSA-N 1 3 342.487 2.521 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001183517127 1290354051 /nfs/dbraw/zinc/35/40/51/1290354051.db2.gz QGOMUZXEMCXFTK-UWWQBHOKSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]1C ZINC001184714360 1290498348 /nfs/dbraw/zinc/49/83/48/1290498348.db2.gz XYJZRZTWRYNSTM-DZGCQCFKSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185168536 1290606981 /nfs/dbraw/zinc/60/69/81/1290606981.db2.gz HIHWAMXJFJFCTK-ZBFHGGJFSA-N 1 3 341.927 2.545 20 30 EFEDHO C=CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185749735 1290762971 /nfs/dbraw/zinc/76/29/71/1290762971.db2.gz DYFIBBJBERLMBS-SJORKVTESA-N 1 3 329.488 2.622 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312565 1291668307 /nfs/dbraw/zinc/66/83/07/1291668307.db2.gz VQMMAHIMAZMKJA-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312565 1291668313 /nfs/dbraw/zinc/66/83/13/1291668313.db2.gz VQMMAHIMAZMKJA-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560384 1291766797 /nfs/dbraw/zinc/76/67/97/1291766797.db2.gz XTPSUGJEOZDZGH-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC000957563208 1291771998 /nfs/dbraw/zinc/77/19/98/1291771998.db2.gz BEYWTSXCIQNDTQ-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957605867 1291860785 /nfs/dbraw/zinc/86/07/85/1291860785.db2.gz NFXQZFQZEVOENV-SFHVURJKSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049466108 1312890734 /nfs/dbraw/zinc/89/07/34/1312890734.db2.gz ZJIGYAJHNNDEJJ-OTWHNJEPSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049466108 1312890737 /nfs/dbraw/zinc/89/07/37/1312890737.db2.gz ZJIGYAJHNNDEJJ-OTWHNJEPSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(Cl)C[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644725 1291953009 /nfs/dbraw/zinc/95/30/09/1291953009.db2.gz FSVZYSOWMNISML-UHFFFAOYSA-N 1 3 339.911 2.539 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)CC2)CC1 ZINC000957647504 1291959239 /nfs/dbraw/zinc/95/92/39/1291959239.db2.gz KMPSKLVYKGIJEJ-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001049509454 1312942420 /nfs/dbraw/zinc/94/24/20/1312942420.db2.gz USRBHFZCERUZCY-QRVBRYPASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001049509454 1312942424 /nfs/dbraw/zinc/94/24/24/1312942424.db2.gz USRBHFZCERUZCY-QRVBRYPASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049525823 1312967117 /nfs/dbraw/zinc/96/71/17/1312967117.db2.gz RFXYAEWJIBWANI-GUDVDZBRSA-N 1 3 331.504 2.645 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049525823 1312967121 /nfs/dbraw/zinc/96/71/21/1312967121.db2.gz RFXYAEWJIBWANI-GUDVDZBRSA-N 1 3 331.504 2.645 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773328 1313011395 /nfs/dbraw/zinc/01/13/95/1313011395.db2.gz VPZXYKJDLIWZHP-MOPGFXCFSA-N 1 3 345.531 2.539 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203782305 1313013231 /nfs/dbraw/zinc/01/32/31/1313013231.db2.gz MZNKGZRGIOYUFH-JKSUJKDBSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001049568775 1313030932 /nfs/dbraw/zinc/03/09/32/1313030932.db2.gz WKFKKJMFFYSJNM-IPMKNSEASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568775 1313030934 /nfs/dbraw/zinc/03/09/34/1313030934.db2.gz WKFKKJMFFYSJNM-IPMKNSEASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203904016 1313044818 /nfs/dbraw/zinc/04/48/18/1313044818.db2.gz QFCSCFFOPNFKFY-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196026115 1294110817 /nfs/dbraw/zinc/11/08/17/1294110817.db2.gz ZKTXPBOWCSXNRZ-IAGOWNOFSA-N 1 3 327.488 2.555 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196026115 1294110821 /nfs/dbraw/zinc/11/08/21/1294110821.db2.gz ZKTXPBOWCSXNRZ-IAGOWNOFSA-N 1 3 327.488 2.555 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982310 1313070693 /nfs/dbraw/zinc/07/06/93/1313070693.db2.gz FZHSECBHXYPTJR-GOSISDBHSA-N 1 3 327.472 2.519 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000303722490 1294569986 /nfs/dbraw/zinc/56/99/86/1294569986.db2.gz YHOJAMIHSGFBRY-AWEZNQCLSA-N 1 3 328.382 2.594 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCSc1ccc(F)cc1 ZINC000303774837 1294578278 /nfs/dbraw/zinc/57/82/78/1294578278.db2.gz GEYINKOFWJWNEP-OAHLLOKOSA-N 1 3 338.496 2.697 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1C(F)(F)F ZINC000303772138 1294578732 /nfs/dbraw/zinc/57/87/32/1294578732.db2.gz DGTGPOFELFTMBZ-ZDUSSCGKSA-N 1 3 346.372 2.733 20 30 EFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CC[NH+](C)C ZINC001049610676 1313085668 /nfs/dbraw/zinc/08/56/68/1313085668.db2.gz AUKDXGFDLTZXQQ-WOJBJXKFSA-N 1 3 341.499 2.656 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@H](C)c1ccccc1 ZINC000303775806 1294580572 /nfs/dbraw/zinc/58/05/72/1294580572.db2.gz HDOWHSPFYQFOPF-SJLPKXTDSA-N 1 3 332.492 2.543 20 30 EFEDHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000303881123 1294596134 /nfs/dbraw/zinc/59/61/34/1294596134.db2.gz KQSIBAOXMKCHDD-SJORKVTESA-N 1 3 345.535 2.810 20 30 EFEDHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000303881121 1294596909 /nfs/dbraw/zinc/59/69/09/1294596909.db2.gz KQSIBAOXMKCHDD-IRXDYDNUSA-N 1 3 345.535 2.810 20 30 EFEDHO CCCCOc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000303882402 1294598641 /nfs/dbraw/zinc/59/86/41/1294598641.db2.gz IAJQPQNALXCRPW-KRWDZBQOSA-N 1 3 332.492 2.754 20 30 EFEDHO CC(C)CCNC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1 ZINC000303887388 1294598655 /nfs/dbraw/zinc/59/86/55/1294598655.db2.gz KVEZBKQDCUTKGE-UHFFFAOYSA-N 1 3 345.535 2.539 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615350 1313089711 /nfs/dbraw/zinc/08/97/11/1313089711.db2.gz JEFBECOAAQJPAU-QRVBRYPASA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615350 1313089715 /nfs/dbraw/zinc/08/97/15/1313089715.db2.gz JEFBECOAAQJPAU-QRVBRYPASA-N 1 3 331.504 2.502 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CC/C=C/CCC)CC2)CC1 ZINC001198236551 1294949084 /nfs/dbraw/zinc/94/90/84/1294949084.db2.gz OGHXBNVEUHPTRL-VOTSOKGWSA-N 1 3 345.531 2.612 20 30 EFEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CC/C=C/CCC)CC2)CC1 ZINC001198236551 1294949096 /nfs/dbraw/zinc/94/90/96/1294949096.db2.gz OGHXBNVEUHPTRL-VOTSOKGWSA-N 1 3 345.531 2.612 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640241 1313122293 /nfs/dbraw/zinc/12/22/93/1313122293.db2.gz UMRUXALXXLIOPL-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049640241 1313122295 /nfs/dbraw/zinc/12/22/95/1313122295.db2.gz UMRUXALXXLIOPL-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)Oc1cccc(C)c1 ZINC000304759200 1295749870 /nfs/dbraw/zinc/74/98/70/1295749870.db2.gz QXYRMOLYPOXVEY-DLBZAZTESA-N 1 3 332.492 2.541 20 30 EFEDHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(C#N)c(F)c3)(C1)CCC2 ZINC001275327077 1296258817 /nfs/dbraw/zinc/25/88/17/1296258817.db2.gz HYELWFKRLKRGES-VQTJNVASSA-N 1 3 344.478 2.784 20 30 EFEDHO C=CCCCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235205587 1313263119 /nfs/dbraw/zinc/26/31/19/1313263119.db2.gz NYEXVNHFWQNDKZ-UHFFFAOYSA-N 1 3 334.508 2.597 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000960280047 1296695646 /nfs/dbraw/zinc/69/56/46/1296695646.db2.gz GOGGEWIOHHYENU-RTBURBONSA-N 1 3 339.483 2.563 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1F ZINC001205686100 1313337321 /nfs/dbraw/zinc/33/73/21/1313337321.db2.gz SQTRLLZJUHKYTR-PKOBYXMFSA-N 1 3 347.478 2.626 20 30 EFEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555651 1313411940 /nfs/dbraw/zinc/41/19/40/1313411940.db2.gz RZSRTXIDPHHMDC-RLLQIKCJSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555651 1313411942 /nfs/dbraw/zinc/41/19/42/1313411942.db2.gz RZSRTXIDPHHMDC-RLLQIKCJSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)C[NH2+]CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206273897 1313429187 /nfs/dbraw/zinc/42/91/87/1313429187.db2.gz CTDMPEOLLMIJRR-LJQANCHMSA-N 1 3 339.499 2.603 20 30 EFEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049915167 1313478489 /nfs/dbraw/zinc/47/84/89/1313478489.db2.gz TXOWJUUPLXXXRT-ZCNNSNEGSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049915167 1313478492 /nfs/dbraw/zinc/47/84/92/1313478492.db2.gz TXOWJUUPLXXXRT-ZCNNSNEGSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCN(CC=C)CCN1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC001236434250 1313480857 /nfs/dbraw/zinc/48/08/57/1313480857.db2.gz OLUITUJZGQGNCU-UHFFFAOYSA-N 1 3 348.579 2.590 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259597 1298431377 /nfs/dbraw/zinc/43/13/77/1298431377.db2.gz ISFUWHYTDIBVRU-UXHICEINSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259597 1298431384 /nfs/dbraw/zinc/43/13/84/1298431384.db2.gz ISFUWHYTDIBVRU-UXHICEINSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096605146 1313509747 /nfs/dbraw/zinc/50/97/47/1313509747.db2.gz CMYHVEXXNHOXQI-NEWSRXKRSA-N 1 3 327.472 2.659 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961349470 1298594206 /nfs/dbraw/zinc/59/42/06/1298594206.db2.gz SQCFHAFQFNFIMZ-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961349470 1298594216 /nfs/dbraw/zinc/59/42/16/1298594216.db2.gz SQCFHAFQFNFIMZ-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961402982 1298695716 /nfs/dbraw/zinc/69/57/16/1298695716.db2.gz STGQXICLOKJEDI-RTBURBONSA-N 1 3 335.536 2.709 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961402982 1298695721 /nfs/dbraw/zinc/69/57/21/1298695721.db2.gz STGQXICLOKJEDI-RTBURBONSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410062 1298705846 /nfs/dbraw/zinc/70/58/46/1298705846.db2.gz FDFKALPDNAFSLR-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410062 1298705854 /nfs/dbraw/zinc/70/58/54/1298705854.db2.gz FDFKALPDNAFSLR-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442503 1298755072 /nfs/dbraw/zinc/75/50/72/1298755072.db2.gz TWQQHWVZWIZCSA-LJQANCHMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961442503 1298755084 /nfs/dbraw/zinc/75/50/84/1298755084.db2.gz TWQQHWVZWIZCSA-LJQANCHMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961444064 1298756146 /nfs/dbraw/zinc/75/61/46/1298756146.db2.gz ZACFYQNJRSYBFX-FQEVSTJZSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961444064 1298756154 /nfs/dbraw/zinc/75/61/54/1298756154.db2.gz ZACFYQNJRSYBFX-FQEVSTJZSA-N 1 3 347.547 2.999 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1N1CCCCC1 ZINC000305810532 1299036999 /nfs/dbraw/zinc/03/69/99/1299036999.db2.gz LXYHFNVFGZJXRY-GOSISDBHSA-N 1 3 343.519 2.566 20 30 EFEDHO C#C[C@](C)(CC)N[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101777 1299547502 /nfs/dbraw/zinc/54/75/02/1299547502.db2.gz SQWLHDSZOOIDGP-DYESRHJHSA-N 1 3 341.499 2.547 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]3CC2)cc1C#N ZINC001276513112 1313630621 /nfs/dbraw/zinc/63/06/21/1313630621.db2.gz IXHPJQVSJJTVFM-KDURUIRLSA-N 1 3 326.488 2.841 20 30 EFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3CC2)cc1C#N ZINC001276513112 1313630624 /nfs/dbraw/zinc/63/06/24/1313630624.db2.gz IXHPJQVSJJTVFM-KDURUIRLSA-N 1 3 326.488 2.841 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315244 1300579734 /nfs/dbraw/zinc/57/97/34/1300579734.db2.gz SBYVUVJSLRISCY-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315244 1300579742 /nfs/dbraw/zinc/57/97/42/1300579742.db2.gz SBYVUVJSLRISCY-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192326 1313866258 /nfs/dbraw/zinc/86/62/58/1313866258.db2.gz ULYKYDMABHFRLE-AZUAARDMSA-N 1 3 336.520 2.935 20 30 EFEDHO C=CCO[C@H]1CO[C@]2(C1)CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192328 1313866302 /nfs/dbraw/zinc/86/63/02/1313866302.db2.gz ULYKYDMABHFRLE-QUCCMNQESA-N 1 3 336.520 2.935 20 30 EFEDHO CCCCCCCCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364210 1313929590 /nfs/dbraw/zinc/92/95/90/1313929590.db2.gz YFMDEWXINFVJSD-INIZCTEOSA-N 1 3 340.581 2.685 20 30 EFEDHO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515044 1313950183 /nfs/dbraw/zinc/95/01/83/1313950183.db2.gz CDFMWPPKONTCDI-KZNAEPCWSA-N 1 3 325.541 2.980 20 30 EFEDHO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515044 1313950186 /nfs/dbraw/zinc/95/01/86/1313950186.db2.gz CDFMWPPKONTCDI-KZNAEPCWSA-N 1 3 325.541 2.980 20 30 EFEDHO C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425221 1304978678 /nfs/dbraw/zinc/97/86/78/1304978678.db2.gz YOPMAZXWBFWMCE-XLIONFOSSA-N 1 3 343.515 2.807 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1CC ZINC001037949289 1305202839 /nfs/dbraw/zinc/20/28/39/1305202839.db2.gz LZBZAXHSVAGPTJ-IAGOWNOFSA-N 1 3 341.927 2.688 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858193 1314426093 /nfs/dbraw/zinc/42/60/93/1314426093.db2.gz AAKQLBFTFSBWMH-OALUTQOASA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858193 1314426097 /nfs/dbraw/zinc/42/60/97/1314426097.db2.gz AAKQLBFTFSBWMH-OALUTQOASA-N 1 3 333.520 2.635 20 30 EFEDHO C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968672414 1306555308 /nfs/dbraw/zinc/55/53/08/1306555308.db2.gz CGRYDEKLAWNGQR-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673211 1306556479 /nfs/dbraw/zinc/55/64/79/1306556479.db2.gz JBIRCOYYJODGHV-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673211 1306556480 /nfs/dbraw/zinc/55/64/80/1306556480.db2.gz JBIRCOYYJODGHV-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)CC[C@@H]2C)CC1 ZINC000968681889 1306564215 /nfs/dbraw/zinc/56/42/15/1306564215.db2.gz MIDFBNBDVXUIJP-FXAWDEMLSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)CC[C@@H]2C)CC1 ZINC000968681889 1306564216 /nfs/dbraw/zinc/56/42/16/1306564216.db2.gz MIDFBNBDVXUIJP-FXAWDEMLSA-N 1 3 347.547 2.594 20 30 EFEDHO C=CCN1CCCCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000969025296 1306904561 /nfs/dbraw/zinc/90/45/61/1306904561.db2.gz MZTYFJNZLUIWOU-FQEVSTJZSA-N 1 3 343.515 2.951 20 30 EFEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969073091 1306947447 /nfs/dbraw/zinc/94/74/47/1306947447.db2.gz WNWSXKQATGLNLG-HXUWFJFHSA-N 1 3 341.499 2.746 20 30 EFEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001045441437 1307340780 /nfs/dbraw/zinc/34/07/80/1307340780.db2.gz FXQNNGMMZCPKPO-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441437 1307340786 /nfs/dbraw/zinc/34/07/86/1307340786.db2.gz FXQNNGMMZCPKPO-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCN1CCC(C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001045557174 1307428481 /nfs/dbraw/zinc/42/84/81/1307428481.db2.gz XDZBDPDNEJCWCP-UHFFFAOYSA-N 1 3 329.488 2.561 20 30 EFEDHO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938278 1307940915 /nfs/dbraw/zinc/94/09/15/1307940915.db2.gz WKENKYWGPDVBHW-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045938278 1307940919 /nfs/dbraw/zinc/94/09/19/1307940919.db2.gz WKENKYWGPDVBHW-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942567 1307954211 /nfs/dbraw/zinc/95/42/11/1307954211.db2.gz UQCHSQUAIMKCPA-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045942567 1307954217 /nfs/dbraw/zinc/95/42/17/1307954217.db2.gz UQCHSQUAIMKCPA-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942567 1307954222 /nfs/dbraw/zinc/95/42/22/1307954222.db2.gz UQCHSQUAIMKCPA-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001045986537 1308088460 /nfs/dbraw/zinc/08/84/60/1308088460.db2.gz TXPRVDAGQOUYDE-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001045986537 1308088463 /nfs/dbraw/zinc/08/84/63/1308088463.db2.gz TXPRVDAGQOUYDE-CTNGQTDRSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319510 1308536706 /nfs/dbraw/zinc/53/67/06/1308536706.db2.gz SZKRGCFDNMSOAB-PXNSSMCTSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319510 1308536711 /nfs/dbraw/zinc/53/67/11/1308536711.db2.gz SZKRGCFDNMSOAB-PXNSSMCTSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047244678 1310401794 /nfs/dbraw/zinc/40/17/94/1310401794.db2.gz UMTJUFJXUHGOHS-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047253634 1310424907 /nfs/dbraw/zinc/42/49/07/1310424907.db2.gz FCWJCCMBPKKZHC-RTBURBONSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176499 1310494973 /nfs/dbraw/zinc/49/49/73/1310494973.db2.gz YVUBJYKSRQVXKT-QYZOEREBSA-N 1 3 327.472 2.659 20 30 EFEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945318 1311058150 /nfs/dbraw/zinc/05/81/50/1311058150.db2.gz KIODMFLYGBVLNF-ARFHVFGLSA-N 1 3 330.476 2.575 20 30 EFEDHO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945318 1311058155 /nfs/dbraw/zinc/05/81/55/1311058155.db2.gz KIODMFLYGBVLNF-ARFHVFGLSA-N 1 3 330.476 2.575 20 30 EFEDHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cccc(C#N)c1F)C2 ZINC001277006827 1311450533 /nfs/dbraw/zinc/45/05/33/1311450533.db2.gz GAKZOTDAKALMSH-HXUWFJFHSA-N 1 3 344.478 2.547 20 30 EFEDHO Cc1nc2ccc(Nc3ccc(N4CC[NH2+]CC4)c(C#N)c3)cc2[nH]1 ZINC001159749217 1311577898 /nfs/dbraw/zinc/57/78/98/1311577898.db2.gz ZHUXNKBJZOPTTB-UHFFFAOYSA-N 1 3 332.411 2.896 20 30 EFEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142713 1311653715 /nfs/dbraw/zinc/65/37/15/1311653715.db2.gz UHSACFFXKAHBAE-IBGZPJMESA-N 1 3 345.531 2.965 20 30 EFEDHO C=CCN1CC=C(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142713 1311653717 /nfs/dbraw/zinc/65/37/17/1311653717.db2.gz UHSACFFXKAHBAE-IBGZPJMESA-N 1 3 345.531 2.965 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360347 1311697349 /nfs/dbraw/zinc/69/73/49/1311697349.db2.gz PKBZFIIOAVKHJW-HXUWFJFHSA-N 1 3 343.515 2.555 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360347 1311697350 /nfs/dbraw/zinc/69/73/50/1311697350.db2.gz PKBZFIIOAVKHJW-HXUWFJFHSA-N 1 3 343.515 2.555 20 30 EFEDHO C#C[C@@H](CC)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227160304 1311770298 /nfs/dbraw/zinc/77/02/98/1311770298.db2.gz FRTMEODODBTHDJ-IBGZPJMESA-N 1 3 331.504 2.662 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160778422 1311779448 /nfs/dbraw/zinc/77/94/48/1311779448.db2.gz MPTOZNVKMCMAAK-UHFFFAOYSA-N 1 3 345.531 2.803 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001160778422 1311779452 /nfs/dbraw/zinc/77/94/52/1311779452.db2.gz MPTOZNVKMCMAAK-UHFFFAOYSA-N 1 3 345.531 2.803 20 30 EFEDHO C=CCN1CCC[C@H]1CNc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001160957660 1311821352 /nfs/dbraw/zinc/82/13/52/1311821352.db2.gz OGIOHFRRRDQITR-KRWDZBQOSA-N 1 3 330.476 2.522 20 30 EFEDHO CCCCCCCN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277225106 1311829986 /nfs/dbraw/zinc/82/99/86/1311829986.db2.gz GMIAWXAWWIQKIO-GOSISDBHSA-N 1 3 335.536 2.831 20 30 EFEDHO CCCCCCCN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277225107 1311830164 /nfs/dbraw/zinc/83/01/64/1311830164.db2.gz GMIAWXAWWIQKIO-SFHVURJKSA-N 1 3 335.536 2.831 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703098 1311842294 /nfs/dbraw/zinc/84/22/94/1311842294.db2.gz BKCGJAJKZVUQGE-GUDVDZBRSA-N 1 3 333.520 2.844 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228558928 1311964773 /nfs/dbraw/zinc/96/47/73/1311964773.db2.gz IGRAQIUWORBVLK-OAGGEKHMSA-N 1 3 329.916 2.876 20 30 EFEDHO CC#CCN1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930770 1312006010 /nfs/dbraw/zinc/00/60/10/1312006010.db2.gz ISBORGOJLVLGPS-UHFFFAOYSA-N 1 3 339.483 2.524 20 30 EFEDHO C=CC[N@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932014 1312006645 /nfs/dbraw/zinc/00/66/45/1312006645.db2.gz PGCWQQPZNZMOCW-UHFFFAOYSA-N 1 3 327.472 2.686 20 30 EFEDHO C=CC[N@@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932014 1312006649 /nfs/dbraw/zinc/00/66/49/1312006649.db2.gz PGCWQQPZNZMOCW-UHFFFAOYSA-N 1 3 327.472 2.686 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@H+](CCC(C)C)CC2)CC1 ZINC001161946799 1312011054 /nfs/dbraw/zinc/01/10/54/1312011054.db2.gz DXPRKUJPKHXALE-UHFFFAOYSA-N 1 3 345.531 2.516 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@@H+](CCC(C)C)CC2)CC1 ZINC001161946799 1312011057 /nfs/dbraw/zinc/01/10/57/1312011057.db2.gz DXPRKUJPKHXALE-UHFFFAOYSA-N 1 3 345.531 2.516 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162987070 1312219643 /nfs/dbraw/zinc/21/96/43/1312219643.db2.gz IGORPJMYXDHRHP-UHFFFAOYSA-N 1 3 331.504 2.565 20 30 EFEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC/C=C\CCC)CC2)CC1 ZINC001230344880 1312226658 /nfs/dbraw/zinc/22/66/58/1312226658.db2.gz OOTAQARHVMCFCI-SREVYHEPSA-N 1 3 345.531 2.659 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537376 1312259849 /nfs/dbraw/zinc/25/98/49/1312259849.db2.gz FYWWRYJTNTXQSY-OALUTQOASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537376 1312259851 /nfs/dbraw/zinc/25/98/51/1312259851.db2.gz FYWWRYJTNTXQSY-OALUTQOASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537379 1312260132 /nfs/dbraw/zinc/26/01/32/1312260132.db2.gz FYWWRYJTNTXQSY-RTBURBONSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537379 1312260136 /nfs/dbraw/zinc/26/01/36/1312260136.db2.gz FYWWRYJTNTXQSY-RTBURBONSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001230572856 1312269003 /nfs/dbraw/zinc/26/90/03/1312269003.db2.gz UWKSATVBSYMHGU-VQTJNVASSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001230572856 1312269007 /nfs/dbraw/zinc/26/90/07/1312269007.db2.gz UWKSATVBSYMHGU-VQTJNVASSA-N 1 3 347.547 2.996 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001230575899 1312271154 /nfs/dbraw/zinc/27/11/54/1312271154.db2.gz SIBWYQHQPZQOTA-MOPGFXCFSA-N 1 3 335.536 2.996 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001230575899 1312271159 /nfs/dbraw/zinc/27/11/59/1312271159.db2.gz SIBWYQHQPZQOTA-MOPGFXCFSA-N 1 3 335.536 2.996 20 30 EFEDHO C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001230611623 1312282818 /nfs/dbraw/zinc/28/28/18/1312282818.db2.gz WDLGLTQWZFQNCW-HXUWFJFHSA-N 1 3 347.547 2.835 20 30 EFEDHO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001230611623 1312282821 /nfs/dbraw/zinc/28/28/21/1312282821.db2.gz WDLGLTQWZFQNCW-HXUWFJFHSA-N 1 3 347.547 2.835 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611357 1312283398 /nfs/dbraw/zinc/28/33/98/1312283398.db2.gz RBLWGLCWWPVGGW-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611357 1312283402 /nfs/dbraw/zinc/28/34/02/1312283402.db2.gz RBLWGLCWWPVGGW-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628128 1312289851 /nfs/dbraw/zinc/28/98/51/1312289851.db2.gz HHAHTYSRDCGDHJ-IBGZPJMESA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628128 1312289854 /nfs/dbraw/zinc/28/98/54/1312289854.db2.gz HHAHTYSRDCGDHJ-IBGZPJMESA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165492331 1312637948 /nfs/dbraw/zinc/63/79/48/1312637948.db2.gz QNEBRZNWQGJRAX-MRXNPFEDSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492331 1312637952 /nfs/dbraw/zinc/63/79/52/1312637952.db2.gz QNEBRZNWQGJRAX-MRXNPFEDSA-N 1 3 341.927 2.878 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC1 ZINC001052959001 1314518296 /nfs/dbraw/zinc/51/82/96/1314518296.db2.gz QCCIYJGNKFFCOZ-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC001052959001 1314518299 /nfs/dbraw/zinc/51/82/99/1314518299.db2.gz QCCIYJGNKFFCOZ-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028342 1314600018 /nfs/dbraw/zinc/60/00/18/1314600018.db2.gz LEVFQFPPFZEBMQ-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028342 1314600020 /nfs/dbraw/zinc/60/00/20/1314600020.db2.gz LEVFQFPPFZEBMQ-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029934 1314602803 /nfs/dbraw/zinc/60/28/03/1314602803.db2.gz YLTOQVQBOVIGAO-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029934 1314602807 /nfs/dbraw/zinc/60/28/07/1314602807.db2.gz YLTOQVQBOVIGAO-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029931 1314603424 /nfs/dbraw/zinc/60/34/24/1314603424.db2.gz YLTOQVQBOVIGAO-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029931 1314603431 /nfs/dbraw/zinc/60/34/31/1314603431.db2.gz YLTOQVQBOVIGAO-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@H]3CC[NH2+][C@H](C(C)C)C3)C2)C1 ZINC001246551993 1314646760 /nfs/dbraw/zinc/64/67/60/1314646760.db2.gz UBUVYUZRMXIQDN-CMKODMSKSA-N 1 3 349.519 2.874 20 30 EFEDHO CCCCCCC[C@H](CCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246626736 1314660076 /nfs/dbraw/zinc/66/00/76/1314660076.db2.gz KOCGXKFJFNRLPU-PXNSSMCTSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCC[C@H](CCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246626736 1314660078 /nfs/dbraw/zinc/66/00/78/1314660078.db2.gz KOCGXKFJFNRLPU-PXNSSMCTSA-N 1 3 335.536 2.927 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098371 1314712902 /nfs/dbraw/zinc/71/29/02/1314712902.db2.gz MWPLYZIXIMBQOX-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098371 1314712906 /nfs/dbraw/zinc/71/29/06/1314712906.db2.gz MWPLYZIXIMBQOX-SJLPKXTDSA-N 1 3 330.476 2.621 20 30 EFEDHO C#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103963 1314724086 /nfs/dbraw/zinc/72/40/86/1314724086.db2.gz BEBKUOXNBRXBHX-VQTJNVASSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215539952 1314847773 /nfs/dbraw/zinc/84/77/73/1314847773.db2.gz FFIKMWQFXOISNB-GPMSIDNRSA-N 1 3 339.499 2.602 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215541376 1314847788 /nfs/dbraw/zinc/84/77/88/1314847788.db2.gz ZWNHQMARQSVLNI-MDZRGWNJSA-N 1 3 339.499 2.602 20 30 EFEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc(C#C[Si](C)(C)C)c1 ZINC001219310370 1315299211 /nfs/dbraw/zinc/29/92/11/1315299211.db2.gz AKYLAJQQNAOOHU-SFHVURJKSA-N 1 3 345.563 2.913 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128909 1315336943 /nfs/dbraw/zinc/33/69/43/1315336943.db2.gz GMWKEPKWLSDQBV-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128909 1315336946 /nfs/dbraw/zinc/33/69/46/1315336946.db2.gz GMWKEPKWLSDQBV-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129239 1315336988 /nfs/dbraw/zinc/33/69/88/1315336988.db2.gz MYRODSLPEVPJRV-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129239 1315336991 /nfs/dbraw/zinc/33/69/91/1315336991.db2.gz MYRODSLPEVPJRV-UYAOXDASSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145518 1315366054 /nfs/dbraw/zinc/36/60/54/1315366054.db2.gz RDIJOIFXWZAJMH-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145518 1315366057 /nfs/dbraw/zinc/36/60/57/1315366057.db2.gz RDIJOIFXWZAJMH-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCOC[C@H](O)C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001252460527 1315451989 /nfs/dbraw/zinc/45/19/89/1315451989.db2.gz CPCNZBKGKKOOPE-MJGOQNOKSA-N 1 3 348.487 2.520 20 30 EFEDHO C=C[C@@](C)(O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001252553239 1315468001 /nfs/dbraw/zinc/46/80/01/1315468001.db2.gz UYBXMAASWLRXBZ-LJQANCHMSA-N 1 3 329.488 2.695 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226795 1315484887 /nfs/dbraw/zinc/48/48/87/1315484887.db2.gz ZRCYQXSANACRQU-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226795 1315484890 /nfs/dbraw/zinc/48/48/90/1315484890.db2.gz ZRCYQXSANACRQU-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134471 1315518668 /nfs/dbraw/zinc/51/86/68/1315518668.db2.gz QKNZPFVOEMOHEP-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134471 1315518672 /nfs/dbraw/zinc/51/86/72/1315518672.db2.gz QKNZPFVOEMOHEP-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134706 1315519231 /nfs/dbraw/zinc/51/92/31/1315519231.db2.gz UNPKJGUQIBOGGU-UXHICEINSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134706 1315519235 /nfs/dbraw/zinc/51/92/35/1315519235.db2.gz UNPKJGUQIBOGGU-UXHICEINSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134708 1315519814 /nfs/dbraw/zinc/51/98/14/1315519814.db2.gz UNPKJGUQIBOGGU-VQTJNVASSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134708 1315519820 /nfs/dbraw/zinc/51/98/20/1315519820.db2.gz UNPKJGUQIBOGGU-VQTJNVASSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159280 1315555587 /nfs/dbraw/zinc/55/55/87/1315555587.db2.gz IVYRIHSVJXNICV-IBGZPJMESA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159280 1315555589 /nfs/dbraw/zinc/55/55/89/1315555589.db2.gz IVYRIHSVJXNICV-IBGZPJMESA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631304 1315566891 /nfs/dbraw/zinc/56/68/91/1315566891.db2.gz KHSYTRKIARWQBK-QRVBRYPASA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631304 1315566894 /nfs/dbraw/zinc/56/68/94/1315566894.db2.gz KHSYTRKIARWQBK-QRVBRYPASA-N 1 3 335.536 2.852 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182496 1315589834 /nfs/dbraw/zinc/58/98/34/1315589834.db2.gz PBURGQDMGQHXBE-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182496 1315589835 /nfs/dbraw/zinc/58/98/35/1315589835.db2.gz PBURGQDMGQHXBE-VQTJNVASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213461 1315629774 /nfs/dbraw/zinc/62/97/74/1315629774.db2.gz KDGBGCDMLCTJKN-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213461 1315629777 /nfs/dbraw/zinc/62/97/77/1315629777.db2.gz KDGBGCDMLCTJKN-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236864 1315661206 /nfs/dbraw/zinc/66/12/06/1315661206.db2.gz FVVJWAXJRJOLBO-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039236864 1315661209 /nfs/dbraw/zinc/66/12/09/1315661209.db2.gz FVVJWAXJRJOLBO-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C1CCC1 ZINC001039288646 1315703096 /nfs/dbraw/zinc/70/30/96/1315703096.db2.gz DOMPGLPBLSJUGO-ZXFUBFMLSA-N 1 3 339.911 2.725 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039375797 1315748557 /nfs/dbraw/zinc/74/85/57/1315748557.db2.gz XSVVTLRJQQNEJQ-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039375797 1315748561 /nfs/dbraw/zinc/74/85/61/1315748561.db2.gz XSVVTLRJQQNEJQ-MSOLQXFVSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207368 1315749643 /nfs/dbraw/zinc/74/96/43/1315749643.db2.gz NJEROFWFTXOXSF-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207368 1315749646 /nfs/dbraw/zinc/74/96/46/1315749646.db2.gz NJEROFWFTXOXSF-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039384943 1315754580 /nfs/dbraw/zinc/75/45/80/1315754580.db2.gz SFEDVEMNLVOOIT-OTWHNJEPSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039384943 1315754582 /nfs/dbraw/zinc/75/45/82/1315754582.db2.gz SFEDVEMNLVOOIT-OTWHNJEPSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCCCC1 ZINC001039447811 1315797778 /nfs/dbraw/zinc/79/77/78/1315797778.db2.gz KYXUEVYUNHLWJG-OTWHNJEPSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCCCC1 ZINC001039447811 1315797781 /nfs/dbraw/zinc/79/77/81/1315797781.db2.gz KYXUEVYUNHLWJG-OTWHNJEPSA-N 1 3 333.520 2.892 20 30 EFEDHO N#Cc1cccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256861995 1316001133 /nfs/dbraw/zinc/00/11/33/1316001133.db2.gz FDKYYTNNFXLLNB-UHFFFAOYSA-N 1 3 347.466 2.744 20 30 EFEDHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(C3CCC(C#N)CC3)CC2)C1 ZINC001256964066 1316015187 /nfs/dbraw/zinc/01/51/87/1316015187.db2.gz PYFWSHFELNMACA-ADKAHSJRSA-N 1 3 347.503 2.808 20 30 EFEDHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(C3CCC(C#N)CC3)CC2)C1 ZINC001256964066 1316015188 /nfs/dbraw/zinc/01/51/88/1316015188.db2.gz PYFWSHFELNMACA-ADKAHSJRSA-N 1 3 347.503 2.808 20 30 EFEDHO C=CCOC[C@]12CCCO[C@@H]1CCN(C1CC[NH+](C(C)C)CC1)C2 ZINC001257215310 1316047783 /nfs/dbraw/zinc/04/77/83/1316047783.db2.gz AYUMTXNXGXOLFC-WOJBJXKFSA-N 1 3 336.520 2.933 20 30 EFEDHO C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040211387 1316146155 /nfs/dbraw/zinc/14/61/55/1316146155.db2.gz ZIKKAJUYOASZNB-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040211387 1316146158 /nfs/dbraw/zinc/14/61/58/1316146158.db2.gz ZIKKAJUYOASZNB-NRFANRHFSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433566 1316263183 /nfs/dbraw/zinc/26/31/83/1316263183.db2.gz XJGWXDFMKMZJPX-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433566 1316263185 /nfs/dbraw/zinc/26/31/85/1316263185.db2.gz XJGWXDFMKMZJPX-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729732 1316361889 /nfs/dbraw/zinc/36/18/89/1316361889.db2.gz OWLPULDLIGOGCR-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040735628 1316362965 /nfs/dbraw/zinc/36/29/65/1316362965.db2.gz VSFVFSMXWAVTCI-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040836672 1316385781 /nfs/dbraw/zinc/38/57/81/1316385781.db2.gz VSFVFSMXWAVTCI-GOSISDBHSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[NH+]1CCC2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)CC1 ZINC001040947227 1316409206 /nfs/dbraw/zinc/40/92/06/1316409206.db2.gz PVCGRNYZYHETQF-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C[C@H](CNCCC(=O)Nc1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC001261436370 1316412035 /nfs/dbraw/zinc/41/20/35/1316412035.db2.gz ZWUXXKMXWIQXBD-MRXNPFEDSA-N 1 3 328.460 2.598 20 30 EFEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782185 1316696406 /nfs/dbraw/zinc/69/64/06/1316696406.db2.gz SMQFBSALZVWMRN-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782185 1316696408 /nfs/dbraw/zinc/69/64/08/1316696408.db2.gz SMQFBSALZVWMRN-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845968 1316732066 /nfs/dbraw/zinc/73/20/66/1316732066.db2.gz UJCINGFWJOIURU-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001041845968 1316732069 /nfs/dbraw/zinc/73/20/69/1316732069.db2.gz UJCINGFWJOIURU-AZUAARDMSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062890 1316852344 /nfs/dbraw/zinc/85/23/44/1316852344.db2.gz PCJJOGMYQNGHTN-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042062890 1316852346 /nfs/dbraw/zinc/85/23/46/1316852346.db2.gz PCJJOGMYQNGHTN-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@H]2CCN(C(=O)c3ccccc3CC[NH+](C)C)C[C@@H]21 ZINC001042162162 1316922009 /nfs/dbraw/zinc/92/20/09/1316922009.db2.gz GRPLJAXHENWDBY-ICSRJNTNSA-N 1 3 341.499 2.513 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369232 1317225332 /nfs/dbraw/zinc/22/53/32/1317225332.db2.gz VALNDHDKUDGVAW-FXAWDEMLSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369232 1317225341 /nfs/dbraw/zinc/22/53/41/1317225341.db2.gz VALNDHDKUDGVAW-FXAWDEMLSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001323636274 1329556688 /nfs/dbraw/zinc/55/66/88/1329556688.db2.gz BWTBSVQJAMXFKB-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001323636274 1329556690 /nfs/dbraw/zinc/55/66/90/1329556690.db2.gz BWTBSVQJAMXFKB-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C#Cc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC001335376618 1331341015 /nfs/dbraw/zinc/34/10/15/1331341015.db2.gz PCSVHMNQTAJCMO-UHFFFAOYSA-N 1 3 339.483 2.803 20 30 EFEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001343560971 1332357674 /nfs/dbraw/zinc/35/76/74/1332357674.db2.gz OWNOTBZQKXKUMJ-PKOBYXMFSA-N 1 3 329.488 2.793 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536438 1334235334 /nfs/dbraw/zinc/23/53/34/1334235334.db2.gz ZTBGUZXOYDCZFR-UHFFFAOYSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536438 1334235342 /nfs/dbraw/zinc/23/53/42/1334235342.db2.gz ZTBGUZXOYDCZFR-UHFFFAOYSA-N 1 3 341.927 2.878 20 30 EFEDHO N#Cc1cccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849061256 1335064564 /nfs/dbraw/zinc/06/45/64/1335064564.db2.gz FIIWEZIUZIHODB-UHFFFAOYSA-N 1 3 347.466 2.837 20 30 EFEDHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1C#N ZINC001371848730 1340720944 /nfs/dbraw/zinc/72/09/44/1340720944.db2.gz ZHQUDSNDXXZOQL-MRXNPFEDSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@H+]2CCC)CCCC1 ZINC001392011837 1355713427 /nfs/dbraw/zinc/71/34/27/1355713427.db2.gz ZDKRFRHNDLJAKC-OAHLLOKOSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001392011837 1355713430 /nfs/dbraw/zinc/71/34/30/1355713430.db2.gz ZDKRFRHNDLJAKC-OAHLLOKOSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(Cl)CN[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001374424908 1341906781 /nfs/dbraw/zinc/90/67/81/1341906781.db2.gz FVEXWFRWTGCLNM-MRXNPFEDSA-N 1 3 343.943 2.981 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001378928951 1345434458 /nfs/dbraw/zinc/43/44/58/1345434458.db2.gz SOOCDPHONYFBOD-DOTOQJQBSA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001381262905 1348171527 /nfs/dbraw/zinc/17/15/27/1348171527.db2.gz SRZAOSDTTVOCHQ-OAHLLOKOSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001381262905 1348171530 /nfs/dbraw/zinc/17/15/30/1348171530.db2.gz SRZAOSDTTVOCHQ-OAHLLOKOSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001393155781 1356660978 /nfs/dbraw/zinc/66/09/78/1356660978.db2.gz FFSKSAGNSGCLPP-QGZVFWFLSA-N 1 3 329.916 2.545 20 30 EFEDHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001406999394 1368301599 /nfs/dbraw/zinc/30/15/99/1368301599.db2.gz JZIYVUGYNOQYBY-QGZVFWFLSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001406999394 1368301605 /nfs/dbraw/zinc/30/16/05/1368301605.db2.gz JZIYVUGYNOQYBY-QGZVFWFLSA-N 1 3 341.927 2.641 20 30 EFEDHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001417890805 1373378134 /nfs/dbraw/zinc/37/81/34/1373378134.db2.gz IBMCPPQGPGOJPG-IRXDYDNUSA-N 1 3 341.927 2.974 20 30 EFEDHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438344436 1388522368 /nfs/dbraw/zinc/52/23/68/1388522368.db2.gz ZQNHDDINNRAJDE-SFHVURJKSA-N 1 3 344.503 2.521 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001423644072 1382214201 /nfs/dbraw/zinc/21/42/01/1382214201.db2.gz AQJQCJZTSDXXMG-IBGZPJMESA-N 1 3 349.906 2.943 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001496885744 1401076424 /nfs/dbraw/zinc/07/64/24/1401076424.db2.gz DXNIKDOUKWHQHL-CVEARBPZSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001496885746 1401076673 /nfs/dbraw/zinc/07/66/73/1401076673.db2.gz DXNIKDOUKWHQHL-HOTGVXAUSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC001496885751 1401077431 /nfs/dbraw/zinc/07/74/31/1401077431.db2.gz DXNIKDOUKWHQHL-JKSUJKDBSA-N 1 3 341.927 2.878 20 30 EFEDHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001497213693 1401222335 /nfs/dbraw/zinc/22/23/35/1401222335.db2.gz DOAUSKTWJGJBMX-CRAIPNDOSA-N 1 3 349.906 2.516 20 30 EFEDHO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505408688 1404566329 /nfs/dbraw/zinc/56/63/29/1404566329.db2.gz KTCWMWZVYWNZHB-QFBILLFUSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCCC[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001717144102 1419235548 /nfs/dbraw/zinc/23/55/48/1419235548.db2.gz PVMQFBVADKXAEL-FQEVSTJZSA-N 1 3 343.515 2.967 20 30 EFEDHO C=CCCC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001717144102 1419235552 /nfs/dbraw/zinc/23/55/52/1419235552.db2.gz PVMQFBVADKXAEL-FQEVSTJZSA-N 1 3 343.515 2.967 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039138251 713478498 /nfs/dbraw/zinc/47/84/98/713478498.db2.gz VBJKEXPGOHMMGN-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039138251 713478499 /nfs/dbraw/zinc/47/84/99/713478499.db2.gz VBJKEXPGOHMMGN-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001021089680 713562031 /nfs/dbraw/zinc/56/20/31/713562031.db2.gz HTDSXGBITYZPGR-MXVIHJGJSA-N 1 3 345.531 2.539 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739996 714403823 /nfs/dbraw/zinc/40/38/23/714403823.db2.gz PXULICSVHINRQP-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021739996 714403825 /nfs/dbraw/zinc/40/38/25/714403825.db2.gz PXULICSVHINRQP-VQTJNVASSA-N 1 3 341.499 2.861 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001023761952 716976993 /nfs/dbraw/zinc/97/69/93/716976993.db2.gz NLFGGGMNAHYBSB-SFHVURJKSA-N 1 3 347.547 2.596 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001023761952 716976997 /nfs/dbraw/zinc/97/69/97/716976997.db2.gz NLFGGGMNAHYBSB-SFHVURJKSA-N 1 3 347.547 2.596 20 30 EFEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814046 718174448 /nfs/dbraw/zinc/17/44/48/718174448.db2.gz NIRHLXIWNWJKOD-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260580 718488029 /nfs/dbraw/zinc/48/80/29/718488029.db2.gz YNDCDUYOSJPVOX-MOPGFXCFSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260709 718488614 /nfs/dbraw/zinc/48/86/14/718488614.db2.gz YWJBBGAZVWISGM-OALUTQOASA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260709 718488615 /nfs/dbraw/zinc/48/86/15/718488615.db2.gz YWJBBGAZVWISGM-OALUTQOASA-N 1 3 345.531 2.730 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628684 719251535 /nfs/dbraw/zinc/25/15/35/719251535.db2.gz TYYJOLZRVQMLLJ-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628684 719251537 /nfs/dbraw/zinc/25/15/37/719251537.db2.gz TYYJOLZRVQMLLJ-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001025629680 719254324 /nfs/dbraw/zinc/25/43/24/719254324.db2.gz IQBRSLFRUBGVRA-QUCCMNQESA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001025629680 719254327 /nfs/dbraw/zinc/25/43/27/719254327.db2.gz IQBRSLFRUBGVRA-QUCCMNQESA-N 1 3 345.531 2.515 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630216 719256017 /nfs/dbraw/zinc/25/60/17/719256017.db2.gz RACLELDTBSOYGV-IAGOWNOFSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630216 719256020 /nfs/dbraw/zinc/25/60/20/719256020.db2.gz RACLELDTBSOYGV-IAGOWNOFSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982159361 719618219 /nfs/dbraw/zinc/61/82/19/719618219.db2.gz FRUVZEHUTTUKAC-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982159361 719618223 /nfs/dbraw/zinc/61/82/23/719618223.db2.gz FRUVZEHUTTUKAC-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757321 721393026 /nfs/dbraw/zinc/39/30/26/721393026.db2.gz HQGZZDPHPYFDLO-MSOLQXFVSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974757321 721393028 /nfs/dbraw/zinc/39/30/28/721393028.db2.gz HQGZZDPHPYFDLO-MSOLQXFVSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067476 728897952 /nfs/dbraw/zinc/89/79/52/728897952.db2.gz XGITUYJSZSCCCR-AEFFLSMTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067476 728897956 /nfs/dbraw/zinc/89/79/56/728897956.db2.gz XGITUYJSZSCCCR-AEFFLSMTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067688 728938419 /nfs/dbraw/zinc/93/84/19/728938419.db2.gz YWHMETGZULPFLV-AEFFLSMTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067688 728938420 /nfs/dbraw/zinc/93/84/20/728938420.db2.gz YWHMETGZULPFLV-AEFFLSMTSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067689 728938963 /nfs/dbraw/zinc/93/89/63/728938963.db2.gz YWHMETGZULPFLV-FUHWJXTLSA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC000948067689 728938966 /nfs/dbraw/zinc/93/89/66/728938966.db2.gz YWHMETGZULPFLV-FUHWJXTLSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992017335 725466110 /nfs/dbraw/zinc/46/61/10/725466110.db2.gz ZNEWJOWSSNCGCC-WSTZPKSXSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992017335 725466111 /nfs/dbraw/zinc/46/61/11/725466111.db2.gz ZNEWJOWSSNCGCC-WSTZPKSXSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000987551437 725748194 /nfs/dbraw/zinc/74/81/94/725748194.db2.gz OCOALCAAWQXQGP-YOEHRIQHSA-N 1 3 335.879 2.693 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992860602 726309923 /nfs/dbraw/zinc/30/99/23/726309923.db2.gz OANKJQYPWHEJLG-GUDVDZBRSA-N 1 3 333.520 2.511 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994503335 727772989 /nfs/dbraw/zinc/77/29/89/727772989.db2.gz VHXDRASYZLPVDV-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994503335 727772991 /nfs/dbraw/zinc/77/29/91/727772991.db2.gz VHXDRASYZLPVDV-APWZRJJASA-N 1 3 329.488 2.907 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765622 728364509 /nfs/dbraw/zinc/36/45/09/728364509.db2.gz ABEYDTXPJJBEID-QFBILLFUSA-N 1 3 339.499 2.698 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765622 728364511 /nfs/dbraw/zinc/36/45/11/728364511.db2.gz ABEYDTXPJJBEID-QFBILLFUSA-N 1 3 339.499 2.698 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765625 728364526 /nfs/dbraw/zinc/36/45/26/728364526.db2.gz ABEYDTXPJJBEID-VQIMIIECSA-N 1 3 339.499 2.698 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948765625 728364528 /nfs/dbraw/zinc/36/45/28/728364528.db2.gz ABEYDTXPJJBEID-VQIMIIECSA-N 1 3 339.499 2.698 20 30 EFEDHO N#C[C@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001580036026 1090750113 /nfs/dbraw/zinc/75/01/13/1090750113.db2.gz MBEHFMKBIWBKPQ-BMGDILEWSA-N 1 3 332.879 2.650 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449681 1092861774 /nfs/dbraw/zinc/86/17/74/1092861774.db2.gz PAVRAVLNSIVNLV-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449681 1092861781 /nfs/dbraw/zinc/86/17/81/1092861781.db2.gz PAVRAVLNSIVNLV-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075458541 1093229510 /nfs/dbraw/zinc/22/95/10/1093229510.db2.gz JFYUSPUMSQQDBZ-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075458541 1093229516 /nfs/dbraw/zinc/22/95/16/1093229516.db2.gz JFYUSPUMSQQDBZ-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683870 1094631915 /nfs/dbraw/zinc/63/19/15/1094631915.db2.gz RBMRJFIIJXGGJQ-QZTJIDSGSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530520 1094880460 /nfs/dbraw/zinc/88/04/60/1094880460.db2.gz YGIONYNDVNMDLD-RXVVDRJESA-N 1 3 347.547 2.903 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203421022 1095119068 /nfs/dbraw/zinc/11/90/68/1095119068.db2.gz YSTNHPOYDSPNCW-LSDHHAIUSA-N 1 3 341.927 2.734 20 30 EFEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753456 1095672549 /nfs/dbraw/zinc/67/25/49/1095672549.db2.gz BRFZMLPKTKSBBB-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524287 1099232936 /nfs/dbraw/zinc/23/29/36/1099232936.db2.gz GGDCBJVNYROZKS-JZXOWHBKSA-N 1 3 341.927 2.543 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395792 1100558933 /nfs/dbraw/zinc/55/89/33/1100558933.db2.gz FMDKYJZKNCUDOP-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105395792 1100558935 /nfs/dbraw/zinc/55/89/35/1100558935.db2.gz FMDKYJZKNCUDOP-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671871 1100652727 /nfs/dbraw/zinc/65/27/27/1100652727.db2.gz UJVZWYILFACFLL-IPMKNSEASA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1CC ZINC001087671871 1100652729 /nfs/dbraw/zinc/65/27/29/1100652729.db2.gz UJVZWYILFACFLL-IPMKNSEASA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129506 1101623558 /nfs/dbraw/zinc/62/35/58/1101623558.db2.gz QYZJUFKNZBMJQD-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129506 1101623560 /nfs/dbraw/zinc/62/35/60/1101623560.db2.gz QYZJUFKNZBMJQD-HSALFYBXSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001167437983 1101737882 /nfs/dbraw/zinc/73/78/82/1101737882.db2.gz LCYBYJOGGXCNCY-HZPDHXFCSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167437983 1101737892 /nfs/dbraw/zinc/73/78/92/1101737892.db2.gz LCYBYJOGGXCNCY-HZPDHXFCSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001167460887 1102034203 /nfs/dbraw/zinc/03/42/03/1102034203.db2.gz SZMSHKRBJRAVFO-UHFFFAOYSA-N 1 3 349.906 2.990 20 30 EFEDHO C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482492772 1102266302 /nfs/dbraw/zinc/26/63/02/1102266302.db2.gz FHZCSWVKWDTURU-RHSMWYFYSA-N 1 3 341.927 2.688 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001088359236 1103185217 /nfs/dbraw/zinc/18/52/17/1103185217.db2.gz UUMSPZPTMCGQDI-MRXNPFEDSA-N 1 3 341.927 2.974 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001088369635 1103202979 /nfs/dbraw/zinc/20/29/79/1103202979.db2.gz OREGXGALDQLEQO-ULQDDVLXSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369635 1103202991 /nfs/dbraw/zinc/20/29/91/1103202991.db2.gz OREGXGALDQLEQO-ULQDDVLXSA-N 1 3 341.927 2.830 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001088430568 1103580297 /nfs/dbraw/zinc/58/02/97/1103580297.db2.gz SKYCWKWCHWNTAC-QGZVFWFLSA-N 1 3 341.927 2.976 20 30 EFEDHO C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(CC)CC)C1 ZINC001105443110 1104160265 /nfs/dbraw/zinc/16/02/65/1104160265.db2.gz XLJCGYRGHXVPCE-TYKWCNGQSA-N 1 3 343.515 2.711 20 30 EFEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001105536926 1105905738 /nfs/dbraw/zinc/90/57/38/1105905738.db2.gz KUFAEEUSUZBTRM-RTBURBONSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC[C@H]2C)CCC1 ZINC001105564222 1105934395 /nfs/dbraw/zinc/93/43/95/1105934395.db2.gz XZDBNVMOSYWDDG-RTBURBONSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105563162 1105942067 /nfs/dbraw/zinc/94/20/67/1105942067.db2.gz GADLRHLQDUMRRJ-OALUTQOASA-N 1 3 345.531 2.635 20 30 EFEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168320692 1106714666 /nfs/dbraw/zinc/71/46/66/1106714666.db2.gz KZBFHWCJGWCSJQ-UHFFFAOYSA-N 1 3 349.906 2.990 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CCCCCC)CC2)CC1 ZINC001168320696 1106714678 /nfs/dbraw/zinc/71/46/78/1106714678.db2.gz LFXIJFXLYBYCTJ-UHFFFAOYSA-N 1 3 347.547 2.788 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860521 1106750740 /nfs/dbraw/zinc/75/07/40/1106750740.db2.gz PGYWGEREXWONQA-JTDSTZFVSA-N 1 3 339.499 2.744 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860521 1106750750 /nfs/dbraw/zinc/75/07/50/1106750750.db2.gz PGYWGEREXWONQA-JTDSTZFVSA-N 1 3 339.499 2.744 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106784984 1111831550 /nfs/dbraw/zinc/83/15/50/1111831550.db2.gz RHYZUHSXZNNVKG-QZTJIDSGSA-N 1 3 325.541 2.983 20 30 EFEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509884 1112259507 /nfs/dbraw/zinc/25/95/07/1112259507.db2.gz KHTIORLFDUYLLB-OALUTQOASA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC(C)(C)C1 ZINC001089509884 1112259511 /nfs/dbraw/zinc/25/95/11/1112259511.db2.gz KHTIORLFDUYLLB-OALUTQOASA-N 1 3 347.547 2.881 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641780 1112434741 /nfs/dbraw/zinc/43/47/41/1112434741.db2.gz SPFVDUOZZFMXEF-MSOLQXFVSA-N 1 3 333.520 2.511 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649140 1112464368 /nfs/dbraw/zinc/46/43/68/1112464368.db2.gz BZFGDQYOWQVSEQ-ROUUACIJSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649140 1112464371 /nfs/dbraw/zinc/46/43/71/1112464371.db2.gz BZFGDQYOWQVSEQ-ROUUACIJSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001089649139 1112464527 /nfs/dbraw/zinc/46/45/27/1112464527.db2.gz BZFGDQYOWQVSEQ-QZTJIDSGSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649139 1112464528 /nfs/dbraw/zinc/46/45/28/1112464528.db2.gz BZFGDQYOWQVSEQ-QZTJIDSGSA-N 1 3 335.536 2.757 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664895 1112617986 /nfs/dbraw/zinc/61/79/86/1112617986.db2.gz QBEVKHGYSMJOQR-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001484946239 1117873765 /nfs/dbraw/zinc/87/37/65/1117873765.db2.gz PBSUKDYVWMDLEM-IBGZPJMESA-N 1 3 343.515 2.663 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820452 1117878199 /nfs/dbraw/zinc/87/81/99/1117878199.db2.gz MRAMZYJSNPGDDG-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089820452 1117878204 /nfs/dbraw/zinc/87/82/04/1117878204.db2.gz MRAMZYJSNPGDDG-MANSERQUSA-N 1 3 345.531 2.606 20 30 EFEDHO C#CCN1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001040911982 1118035877 /nfs/dbraw/zinc/03/58/77/1118035877.db2.gz JUKAKGGBAKZELE-LJQANCHMSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001040911982 1118035882 /nfs/dbraw/zinc/03/58/82/1118035882.db2.gz JUKAKGGBAKZELE-LJQANCHMSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107030590 1119819376 /nfs/dbraw/zinc/81/93/76/1119819376.db2.gz NJZGSBYYEPWZGU-RDTXWAMCSA-N 1 3 349.906 2.798 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034040 1119919998 /nfs/dbraw/zinc/91/99/98/1119919998.db2.gz GAVGYUBOUZANFO-RHSMWYFYSA-N 1 3 349.906 2.798 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029125 1120520925 /nfs/dbraw/zinc/52/09/25/1120520925.db2.gz QQMDVHAQGOUGQA-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029125 1120520927 /nfs/dbraw/zinc/52/09/27/1120520927.db2.gz QQMDVHAQGOUGQA-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031153 1120522763 /nfs/dbraw/zinc/52/27/63/1120522763.db2.gz ZFTZAFGILOEEAM-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945031153 1120522768 /nfs/dbraw/zinc/52/27/68/1120522768.db2.gz ZFTZAFGILOEEAM-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945091558 1120567977 /nfs/dbraw/zinc/56/79/77/1120567977.db2.gz OKSKPUXTEYQHTH-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945091558 1120567981 /nfs/dbraw/zinc/56/79/81/1120567981.db2.gz OKSKPUXTEYQHTH-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO CC[C@@H](C)NC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000264065012 240398183 /nfs/dbraw/zinc/39/81/83/240398183.db2.gz AVNWWOCFKYELER-OAHLLOKOSA-N 1 3 332.492 2.610 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358161387 242114462 /nfs/dbraw/zinc/11/44/62/242114462.db2.gz XKWIXNVRQXFCAE-DLBZAZTESA-N 1 3 336.524 2.589 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358161387 242114467 /nfs/dbraw/zinc/11/44/67/242114467.db2.gz XKWIXNVRQXFCAE-DLBZAZTESA-N 1 3 336.524 2.589 20 30 EFEDHO C=CCN1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000358780687 242131847 /nfs/dbraw/zinc/13/18/47/242131847.db2.gz AFIYXMPXFPOTPT-UHFFFAOYSA-N 1 3 336.524 2.591 20 30 EFEDHO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000363785343 242282307 /nfs/dbraw/zinc/28/23/07/242282307.db2.gz OVUDKUNMKSEZJX-HKUYNNGSSA-N 1 3 341.499 2.518 20 30 EFEDHO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000442893947 250138783 /nfs/dbraw/zinc/13/87/83/250138783.db2.gz HCXFDERHNWPKPM-SFHVURJKSA-N 1 3 340.515 2.969 20 30 EFEDHO C[NH+](C)CCOc1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000449733860 251134863 /nfs/dbraw/zinc/13/48/63/251134863.db2.gz KOMVSHMRIWUDMB-UHFFFAOYSA-N 1 3 327.403 2.928 20 30 EFEDHO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(Cl)cc1F ZINC000262683030 533277339 /nfs/dbraw/zinc/27/73/39/533277339.db2.gz XCCPFVJYLXASRJ-CJNGLKHVSA-N 1 3 336.842 2.542 20 30 EFEDHO CN(C)CCN1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360838359 273795901 /nfs/dbraw/zinc/79/59/01/273795901.db2.gz UFAVUWIWHDYZNK-NRFANRHFSA-N 1 3 340.515 2.941 20 30 EFEDHO C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCC[C@H]1C ZINC000262492744 278218064 /nfs/dbraw/zinc/21/80/64/278218064.db2.gz JNLHHGIGPUAOHK-VYDXJSESSA-N 1 3 330.476 2.677 20 30 EFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079194 279329885 /nfs/dbraw/zinc/32/98/85/279329885.db2.gz SFTWPPSGZGMKIT-FQEVSTJZSA-N 1 3 328.504 2.715 20 30 EFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)c(C)c1 ZINC000349079194 279329886 /nfs/dbraw/zinc/32/98/86/279329886.db2.gz SFTWPPSGZGMKIT-FQEVSTJZSA-N 1 3 328.504 2.715 20 30 EFEDHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000573316035 319754184 /nfs/dbraw/zinc/75/41/84/319754184.db2.gz XSRJYWZDJPBPOJ-UWWQBHOKSA-N 1 3 330.451 2.644 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000576911146 320059448 /nfs/dbraw/zinc/05/94/48/320059448.db2.gz IHWABEQNUWKZFB-IFMALSPDSA-N 1 3 347.462 2.902 20 30 EFEDHO N#Cc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000576911146 320059449 /nfs/dbraw/zinc/05/94/49/320059449.db2.gz IHWABEQNUWKZFB-IFMALSPDSA-N 1 3 347.462 2.902 20 30 EFEDHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)NC1CCCCC1 ZINC000190536814 473310690 /nfs/dbraw/zinc/31/06/90/473310690.db2.gz DWAZMTPLBTXPRA-LJQANCHMSA-N 1 3 344.503 2.515 20 30 EFEDHO CC(C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCC1 ZINC000083030749 473315847 /nfs/dbraw/zinc/31/58/47/473315847.db2.gz FGTCSMAHNMSCGR-SJORKVTESA-N 1 3 330.476 2.535 20 30 EFEDHO C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCC(C)CC1 ZINC000083034011 473317264 /nfs/dbraw/zinc/31/72/64/473317264.db2.gz NSJRHBUANNMSID-WBVHZDCISA-N 1 3 330.476 2.535 20 30 EFEDHO C=CCNC(=O)[C@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843961 472484354 /nfs/dbraw/zinc/48/43/54/472484354.db2.gz BLBYUHIBWBPFSK-KRWDZBQOSA-N 1 3 329.488 2.521 20 30 EFEDHO C=CCNC(=O)[C@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843961 472484360 /nfs/dbraw/zinc/48/43/60/472484360.db2.gz BLBYUHIBWBPFSK-KRWDZBQOSA-N 1 3 329.488 2.521 20 30 EFEDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072630400 472688365 /nfs/dbraw/zinc/68/83/65/472688365.db2.gz RDJHVXFMFCZMEB-UHFFFAOYSA-N 1 3 328.460 2.693 20 30 EFEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000048783013 472909459 /nfs/dbraw/zinc/90/94/59/472909459.db2.gz AVZDULPQDBETNO-UHFFFAOYSA-N 1 3 334.467 2.595 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000159249159 473012609 /nfs/dbraw/zinc/01/26/09/473012609.db2.gz XUYYGXFXWOMZHK-IBGZPJMESA-N 1 3 348.535 2.687 20 30 EFEDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000109786985 473123689 /nfs/dbraw/zinc/12/36/89/473123689.db2.gz STPFYVNKPPXENP-UHFFFAOYSA-N 1 3 328.460 2.693 20 30 EFEDHO Cn1cc(C[NH2+]CC2CCN(Cc3cccs3)CC2)cc1C#N ZINC000190909521 473426334 /nfs/dbraw/zinc/42/63/34/473426334.db2.gz MXVXWGWVKBAZHK-UHFFFAOYSA-N 1 3 328.485 2.960 20 30 EFEDHO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000185714756 473495436 /nfs/dbraw/zinc/49/54/36/473495436.db2.gz KVGRJVIMFYVWLP-QFBILLFUSA-N 1 3 327.472 2.815 20 30 EFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000185714796 473495741 /nfs/dbraw/zinc/49/57/41/473495741.db2.gz KVGRJVIMFYVWLP-VQIMIIECSA-N 1 3 327.472 2.815 20 30 EFEDHO COc1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)ccc1C#N ZINC000281692855 473807665 /nfs/dbraw/zinc/80/76/65/473807665.db2.gz NEUMMUSPXKWUGH-UHFFFAOYSA-N 1 3 336.439 2.968 20 30 EFEDHO COc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000281717762 473816270 /nfs/dbraw/zinc/81/62/70/473816270.db2.gz PAGSKLCMZZUHAP-UHFFFAOYSA-N 1 3 339.439 2.797 20 30 EFEDHO COc1ccc(NC(=[NH2+])NCC2(N(C)C)CCCCC2)cc1OC ZINC000264116766 473950833 /nfs/dbraw/zinc/95/08/33/473950833.db2.gz PZVXXJOXBOKHEO-UHFFFAOYSA-N 1 3 334.464 2.695 20 30 EFEDHO C[NH+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC1CC1 ZINC000264408400 473980624 /nfs/dbraw/zinc/98/06/24/473980624.db2.gz DZUFURKMEWCRCV-UHFFFAOYSA-N 1 3 334.895 2.879 20 30 EFEDHO CN(C)CCOc1cccc(CNC(=[NH2+])Nc2cc(F)ccc2F)c1 ZINC000288789437 474051961 /nfs/dbraw/zinc/05/19/61/474051961.db2.gz XLZBJXSVYSFQGR-UHFFFAOYSA-N 1 3 348.397 2.832 20 30 EFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000248945649 474488673 /nfs/dbraw/zinc/48/86/73/474488673.db2.gz DISSSYZJQNNITI-HNAYVOBHSA-N 1 3 333.451 2.924 20 30 EFEDHO C#CCOc1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176748390 474525306 /nfs/dbraw/zinc/52/53/06/474525306.db2.gz HPLNURBUCNTDMY-UHFFFAOYSA-N 1 3 330.472 2.678 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563710 474577058 /nfs/dbraw/zinc/57/70/58/474577058.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563710 474577062 /nfs/dbraw/zinc/57/70/62/474577062.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290563710 474577064 /nfs/dbraw/zinc/57/70/64/474577064.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290563710 474577069 /nfs/dbraw/zinc/57/70/69/474577069.db2.gz SNKGCLHOJRRSLO-ICSRJNTNSA-N 1 3 326.488 2.953 20 30 EFEDHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(C#N)c1 ZINC000271831691 474595556 /nfs/dbraw/zinc/59/55/56/474595556.db2.gz FDGFNENGGYMMAH-GOSISDBHSA-N 1 3 349.482 2.816 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1coc(-c2ccc(C)cc2)n1 ZINC000267387496 474666511 /nfs/dbraw/zinc/66/65/11/474666511.db2.gz CEMBEOLALGPEMU-QGZVFWFLSA-N 1 3 341.459 2.539 20 30 EFEDHO CN(C)CC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278624007 474741604 /nfs/dbraw/zinc/74/16/04/474741604.db2.gz JXCMBBKOZFWBMC-UHFFFAOYSA-N 1 3 340.475 2.536 20 30 EFEDHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679592 474984883 /nfs/dbraw/zinc/98/48/83/474984883.db2.gz DVUYAEOVPPYCGE-APWZRJJASA-N 1 3 338.455 2.621 20 30 EFEDHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679592 474984892 /nfs/dbraw/zinc/98/48/92/474984892.db2.gz DVUYAEOVPPYCGE-APWZRJJASA-N 1 3 338.455 2.621 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000337428293 475006789 /nfs/dbraw/zinc/00/67/89/475006789.db2.gz CUUHAEBSWLQMAH-CEXWTWQISA-N 1 3 348.535 2.611 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(C)C ZINC000337428293 475006796 /nfs/dbraw/zinc/00/67/96/475006796.db2.gz CUUHAEBSWLQMAH-CEXWTWQISA-N 1 3 348.535 2.611 20 30 EFEDHO CCN(CCC[NH+]1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281157607 475094897 /nfs/dbraw/zinc/09/48/97/475094897.db2.gz ISAFBARWASMGQI-IBGZPJMESA-N 1 3 338.455 2.575 20 30 EFEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000268967156 475100367 /nfs/dbraw/zinc/10/03/67/475100367.db2.gz HJJBLQWZTWOTRV-OAHLLOKOSA-N 1 3 338.879 2.925 20 30 EFEDHO C#C[C@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000262250977 475207699 /nfs/dbraw/zinc/20/76/99/475207699.db2.gz CTKMAMMBTUPPGJ-SFHVURJKSA-N 1 3 326.488 2.603 20 30 EFEDHO C#C[C@@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000262250973 475207789 /nfs/dbraw/zinc/20/77/89/475207789.db2.gz CTKMAMMBTUPPGJ-GOSISDBHSA-N 1 3 326.488 2.603 20 30 EFEDHO CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000349400522 475959987 /nfs/dbraw/zinc/95/99/87/475959987.db2.gz COOMZJJEVWVFLW-SFHVURJKSA-N 1 3 338.455 2.621 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363658568 476481728 /nfs/dbraw/zinc/48/17/28/476481728.db2.gz CJUDMOZONFYOFH-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363658568 476481735 /nfs/dbraw/zinc/48/17/35/476481735.db2.gz CJUDMOZONFYOFH-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000351884309 476504012 /nfs/dbraw/zinc/50/40/12/476504012.db2.gz XLFMYMLQLMMVIQ-UHFFFAOYSA-N 1 3 343.515 2.913 20 30 EFEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224393 476518360 /nfs/dbraw/zinc/51/83/60/476518360.db2.gz NXNYPAUROOKXKD-NVXWUHKLSA-N 1 3 328.460 2.691 20 30 EFEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000354224393 476518364 /nfs/dbraw/zinc/51/83/64/476518364.db2.gz NXNYPAUROOKXKD-NVXWUHKLSA-N 1 3 328.460 2.691 20 30 EFEDHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H](N)CCCC#N)c2)CC1 ZINC000424165541 477315500 /nfs/dbraw/zinc/31/55/00/477315500.db2.gz DWEMBWIOTKTFSX-LJQANCHMSA-N 1 3 342.487 2.921 20 30 EFEDHO Cn1cc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965188 477774153 /nfs/dbraw/zinc/77/41/53/477774153.db2.gz LMTAEFGIDCZIJG-UXHICEINSA-N 1 3 334.467 2.851 20 30 EFEDHO Cn1cc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000367965188 477774159 /nfs/dbraw/zinc/77/41/59/477774159.db2.gz LMTAEFGIDCZIJG-UXHICEINSA-N 1 3 334.467 2.851 20 30 EFEDHO CC[NH+]1CCC(N2CCCN(Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000421011344 477899230 /nfs/dbraw/zinc/89/92/30/477899230.db2.gz PCSSOAQVXFDIHA-UHFFFAOYSA-N 1 3 344.478 2.689 20 30 EFEDHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421322453 478035954 /nfs/dbraw/zinc/03/59/54/478035954.db2.gz GLTBSJOOJZHVBZ-UHFFFAOYSA-N 1 3 341.430 2.970 20 30 EFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)CCC#N)CC2)CC1 ZINC000519179143 478214893 /nfs/dbraw/zinc/21/48/93/478214893.db2.gz YLTATPVDHSJJLB-UHFFFAOYSA-N 1 3 348.535 2.629 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000570257287 478319558 /nfs/dbraw/zinc/31/95/58/478319558.db2.gz KWCQXNOENVSDNI-KRWDZBQOSA-N 1 3 325.456 2.892 20 30 EFEDHO CC(C)(C#N)C[C@@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000598617131 478927956 /nfs/dbraw/zinc/92/79/56/478927956.db2.gz PYQGRBCMRKVDIB-MRXNPFEDSA-N 1 3 338.455 2.658 20 30 EFEDHO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]C1 ZINC000584166909 479037110 /nfs/dbraw/zinc/03/71/10/479037110.db2.gz PGVPSEHRDZWCQY-XIRDDKMYSA-N 1 3 330.451 2.644 20 30 EFEDHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000569954666 479217909 /nfs/dbraw/zinc/21/79/09/479217909.db2.gz XCFMFKHNWNCLJV-FQEVSTJZSA-N 1 3 340.515 2.843 20 30 EFEDHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593320210 479293787 /nfs/dbraw/zinc/29/37/87/479293787.db2.gz AQXLJKLQHPUNTK-OXJNMPFZSA-N 1 3 326.488 2.500 20 30 EFEDHO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)c1 ZINC000593324589 479296561 /nfs/dbraw/zinc/29/65/61/479296561.db2.gz XUULFBARZJGICY-ICSRJNTNSA-N 1 3 326.488 2.630 20 30 EFEDHO CN1CCN(CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390610 479365670 /nfs/dbraw/zinc/36/56/70/479365670.db2.gz KWGPMMMORWQMTI-FQEVSTJZSA-N 1 3 326.488 2.553 20 30 EFEDHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392810 479365984 /nfs/dbraw/zinc/36/59/84/479365984.db2.gz NFTTYTKKCXCSOP-GHTZIAJQSA-N 1 3 338.499 2.694 20 30 EFEDHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392129 479366387 /nfs/dbraw/zinc/36/63/87/479366387.db2.gz MEWLFFIAUGGKOY-HXUWFJFHSA-N 1 3 326.488 2.553 20 30 EFEDHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4cc(C#N)ccc43)C2)CC1 ZINC000611392812 479366859 /nfs/dbraw/zinc/36/68/59/479366859.db2.gz NFTTYTKKCXCSOP-RXVVDRJESA-N 1 3 338.499 2.694 20 30 EFEDHO N#CC1(CCC[N@@H+]2CCCN(c3ccncc3)CC2)CCOCC1 ZINC000602847085 479590093 /nfs/dbraw/zinc/59/00/93/479590093.db2.gz IDKDZAGZOWODMP-UHFFFAOYSA-N 1 3 328.460 2.694 20 30 EFEDHO N#CC1(CCC[N@H+]2CCCN(c3ccncc3)CC2)CCOCC1 ZINC000602847085 479590095 /nfs/dbraw/zinc/59/00/95/479590095.db2.gz IDKDZAGZOWODMP-UHFFFAOYSA-N 1 3 328.460 2.694 20 30 EFEDHO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000615094050 479599420 /nfs/dbraw/zinc/59/94/20/479599420.db2.gz XTDPRNSQAOJVQO-YBXZHIRMSA-N 1 3 340.471 2.860 20 30 EFEDHO C=CCN1CCC(NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000171728602 526435229 /nfs/dbraw/zinc/43/52/29/526435229.db2.gz PZPSTHNRQUSUMC-UHFFFAOYSA-N 1 3 344.503 2.588 20 30 EFEDHO C=CCN1CCC(NC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000171728602 526435236 /nfs/dbraw/zinc/43/52/36/526435236.db2.gz PZPSTHNRQUSUMC-UHFFFAOYSA-N 1 3 344.503 2.588 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000171040942 527644678 /nfs/dbraw/zinc/64/46/78/527644678.db2.gz VJMANZKCGBTOBI-OALUTQOASA-N 1 3 348.535 2.565 20 30 EFEDHO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170912904 528234640 /nfs/dbraw/zinc/23/46/40/528234640.db2.gz ATXWEGOGALPOKC-QGZVFWFLSA-N 1 3 325.460 2.761 20 30 EFEDHO CC(C)[NH+]=C(NCCc1ccco1)N1CC[C@H](N2CCCCC2)C1 ZINC000262644595 535338709 /nfs/dbraw/zinc/33/87/09/535338709.db2.gz ICKIVBDXJFTSBZ-KRWDZBQOSA-N 1 3 332.492 2.736 20 30 EFEDHO C=C(CN(C)C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000764505306 576466541 /nfs/dbraw/zinc/46/65/41/576466541.db2.gz CZYVQZXFJMPGIH-UHFFFAOYSA-N 1 3 329.488 2.797 20 30 EFEDHO C=C(C[NH+](C)C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000764507891 576466876 /nfs/dbraw/zinc/46/68/76/576466876.db2.gz KGVFROJDLBRUPN-UHFFFAOYSA-N 1 3 349.906 2.786 20 30 EFEDHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001167836618 1249689968 /nfs/dbraw/zinc/68/99/68/1249689968.db2.gz GBXYBFPYDVTLEB-KRWDZBQOSA-N 1 3 329.492 2.586 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753549225 1249827743 /nfs/dbraw/zinc/82/77/43/1249827743.db2.gz YZOWAGMMMNKVJS-IRXDYDNUSA-N 1 3 341.927 2.832 20 30 EFEDHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753549225 1249827764 /nfs/dbraw/zinc/82/77/64/1249827764.db2.gz YZOWAGMMMNKVJS-IRXDYDNUSA-N 1 3 341.927 2.832 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CCCC)CC1 ZINC001089733857 1252328104 /nfs/dbraw/zinc/32/81/04/1252328104.db2.gz BBSAQNCGPLMQDW-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCCC)CC1 ZINC001089733857 1252328108 /nfs/dbraw/zinc/32/81/08/1252328108.db2.gz BBSAQNCGPLMQDW-IBGZPJMESA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996673761 1255705232 /nfs/dbraw/zinc/70/52/32/1255705232.db2.gz SFCSERDJZDHEOS-SFHVURJKSA-N 1 3 329.488 2.765 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997136441 1257038282 /nfs/dbraw/zinc/03/82/82/1257038282.db2.gz GBISEKDWFIBWHF-YLJYHZDGSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997136441 1257038289 /nfs/dbraw/zinc/03/82/89/1257038289.db2.gz GBISEKDWFIBWHF-YLJYHZDGSA-N 1 3 345.531 2.633 20 30 EFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032406282 1257125671 /nfs/dbraw/zinc/12/56/71/1257125671.db2.gz WSLDRCOMBLJWMQ-HOJAQTOUSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032406282 1257125674 /nfs/dbraw/zinc/12/56/74/1257125674.db2.gz WSLDRCOMBLJWMQ-HOJAQTOUSA-N 1 3 345.531 2.892 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997617381 1258120146 /nfs/dbraw/zinc/12/01/46/1258120146.db2.gz GBISEKDWFIBWHF-FXAWDEMLSA-N 1 3 345.531 2.633 20 30 EFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997617381 1258120148 /nfs/dbraw/zinc/12/01/48/1258120148.db2.gz GBISEKDWFIBWHF-FXAWDEMLSA-N 1 3 345.531 2.633 20 30 EFEDHO C=C(Br)C[NH2+]CCCNC(=O)CN(C)CCCCCC ZINC001168595653 1258378697 /nfs/dbraw/zinc/37/86/97/1258378697.db2.gz NOVQKUPENXCNRQ-UHFFFAOYSA-N 1 3 348.329 2.503 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC000997874939 1258558347 /nfs/dbraw/zinc/55/83/47/1258558347.db2.gz VBFYJBJXJAPBDO-MSOLQXFVSA-N 1 3 347.547 2.594 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000998768633 1259924959 /nfs/dbraw/zinc/92/49/59/1259924959.db2.gz CXLIPZFVYFQOLW-UHFFFAOYSA-N 1 3 327.900 2.582 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000998901206 1260072284 /nfs/dbraw/zinc/07/22/84/1260072284.db2.gz KQUDWEHYNPLQLQ-PREGVCBESA-N 1 3 339.911 2.725 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998901206 1260072290 /nfs/dbraw/zinc/07/22/90/1260072290.db2.gz KQUDWEHYNPLQLQ-PREGVCBESA-N 1 3 339.911 2.725 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000999406897 1260600634 /nfs/dbraw/zinc/60/06/34/1260600634.db2.gz BOWJPGFNYGYVPN-KVULBXGLSA-N 1 3 345.890 2.530 20 30 EFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999406897 1260600635 /nfs/dbraw/zinc/60/06/35/1260600635.db2.gz BOWJPGFNYGYVPN-KVULBXGLSA-N 1 3 345.890 2.530 20 30 EFEDHO C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722259 1261207166 /nfs/dbraw/zinc/20/71/66/1261207166.db2.gz JQZJHRSYKMWSER-IBGZPJMESA-N 1 3 330.472 2.842 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902802 1261692563 /nfs/dbraw/zinc/69/25/63/1261692563.db2.gz ZOEZZTORMDYDHX-OTWHNJEPSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902802 1261692567 /nfs/dbraw/zinc/69/25/67/1261692567.db2.gz ZOEZZTORMDYDHX-OTWHNJEPSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902801 1261693543 /nfs/dbraw/zinc/69/35/43/1261693543.db2.gz ZOEZZTORMDYDHX-CEXWTWQISA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902801 1261693550 /nfs/dbraw/zinc/69/35/50/1261693550.db2.gz ZOEZZTORMDYDHX-CEXWTWQISA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904977 1261726349 /nfs/dbraw/zinc/72/63/49/1261726349.db2.gz WVDJCRDRYIGXEH-OTWHNJEPSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904977 1261726352 /nfs/dbraw/zinc/72/63/52/1261726352.db2.gz WVDJCRDRYIGXEH-OTWHNJEPSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078820657 1262365102 /nfs/dbraw/zinc/36/51/02/1262365102.db2.gz YLMQPGMKNOCQEF-ROUUACIJSA-N 1 3 327.472 2.565 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344648 1263840698 /nfs/dbraw/zinc/84/06/98/1263840698.db2.gz CHFSHFVYKQVEHK-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344648 1263840708 /nfs/dbraw/zinc/84/07/08/1263840708.db2.gz CHFSHFVYKQVEHK-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406156 1263917393 /nfs/dbraw/zinc/91/73/93/1263917393.db2.gz HWAGXDJVWXMQEE-NZSAHSFTSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406156 1263917400 /nfs/dbraw/zinc/91/74/00/1263917400.db2.gz HWAGXDJVWXMQEE-NZSAHSFTSA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603747 1264069482 /nfs/dbraw/zinc/06/94/82/1264069482.db2.gz JIWZUVMLEUGTSX-YZGWKJHDSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603747 1264069490 /nfs/dbraw/zinc/06/94/90/1264069490.db2.gz JIWZUVMLEUGTSX-YZGWKJHDSA-N 1 3 345.531 2.892 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768061 1264347342 /nfs/dbraw/zinc/34/73/42/1264347342.db2.gz UHOXKVHCUPCHTR-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3CCCC)[C@@H]2C1 ZINC001084768061 1264347352 /nfs/dbraw/zinc/34/73/52/1264347352.db2.gz UHOXKVHCUPCHTR-CEXWTWQISA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004370032 1266788693 /nfs/dbraw/zinc/78/86/93/1266788693.db2.gz HBDPCOOAKJBZNQ-IAGOWNOFSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004370032 1266788701 /nfs/dbraw/zinc/78/87/01/1266788701.db2.gz HBDPCOOAKJBZNQ-IAGOWNOFSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085254205 1266945345 /nfs/dbraw/zinc/94/53/45/1266945345.db2.gz VPLUONNUAGHFMN-ZACQAIPSSA-N 1 3 341.927 2.876 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085254205 1266945354 /nfs/dbraw/zinc/94/53/54/1266945354.db2.gz VPLUONNUAGHFMN-ZACQAIPSSA-N 1 3 341.927 2.876 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549419 1267275056 /nfs/dbraw/zinc/27/50/56/1267275056.db2.gz ZBOOISUMRKUSAW-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549419 1267275065 /nfs/dbraw/zinc/27/50/65/1267275065.db2.gz ZBOOISUMRKUSAW-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633530 1267390455 /nfs/dbraw/zinc/39/04/55/1267390455.db2.gz XVYFSCPAQVSBTI-OTWHNJEPSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633530 1267390461 /nfs/dbraw/zinc/39/04/61/1267390461.db2.gz XVYFSCPAQVSBTI-OTWHNJEPSA-N 1 3 335.536 2.709 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004619895 1267414748 /nfs/dbraw/zinc/41/47/48/1267414748.db2.gz NGSGTGRUVWQKOC-WOJBJXKFSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004619895 1267414755 /nfs/dbraw/zinc/41/47/55/1267414755.db2.gz NGSGTGRUVWQKOC-WOJBJXKFSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004620848 1267416940 /nfs/dbraw/zinc/41/69/40/1267416940.db2.gz RLLIDYKSTHRAFH-OALUTQOASA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004620848 1267416942 /nfs/dbraw/zinc/41/69/42/1267416942.db2.gz RLLIDYKSTHRAFH-OALUTQOASA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765780 1268271046 /nfs/dbraw/zinc/27/10/46/1268271046.db2.gz XVYFSCPAQVSBTI-CEXWTWQISA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765780 1268271052 /nfs/dbraw/zinc/27/10/52/1268271052.db2.gz XVYFSCPAQVSBTI-CEXWTWQISA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776791 1268465095 /nfs/dbraw/zinc/46/50/95/1268465095.db2.gz SYFNWBVPGRLABF-KDURUIRLSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776791 1268465099 /nfs/dbraw/zinc/46/50/99/1268465099.db2.gz SYFNWBVPGRLABF-KDURUIRLSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCNC(=O)[C@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273127687 1268664663 /nfs/dbraw/zinc/66/46/63/1268664663.db2.gz FFYVHMRSBYQYBV-QGZVFWFLSA-N 1 3 333.520 2.513 20 30 EFEDHO C=CCNC(=O)[C@@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273127586 1268664695 /nfs/dbraw/zinc/66/46/95/1268664695.db2.gz FFYVHMRSBYQYBV-KRWDZBQOSA-N 1 3 333.520 2.513 20 30 EFEDHO C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297713 1268687415 /nfs/dbraw/zinc/68/74/15/1268687415.db2.gz RWOKHPMGOCSWPH-SFHVURJKSA-N 1 3 329.488 2.513 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683921 1269791161 /nfs/dbraw/zinc/79/11/61/1269791161.db2.gz JPOKLUYENWKDNK-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033683921 1269791168 /nfs/dbraw/zinc/79/11/68/1269791168.db2.gz JPOKLUYENWKDNK-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001086438075 1271483801 /nfs/dbraw/zinc/48/38/01/1271483801.db2.gz BJUUPALTKMRBMP-JCNLHEQBSA-N 1 3 349.906 2.641 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001034539233 1272246059 /nfs/dbraw/zinc/24/60/59/1272246059.db2.gz YRTQWHQSTPWQRD-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001034539233 1272246065 /nfs/dbraw/zinc/24/60/65/1272246065.db2.gz YRTQWHQSTPWQRD-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035226394 1273847640 /nfs/dbraw/zinc/84/76/40/1273847640.db2.gz HVBHFGYIHITNLE-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035226394 1273847650 /nfs/dbraw/zinc/84/76/50/1273847650.db2.gz HVBHFGYIHITNLE-GOSISDBHSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238549 1273902667 /nfs/dbraw/zinc/90/26/67/1273902667.db2.gz DNFKCCNGAXMEAS-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238549 1273902672 /nfs/dbraw/zinc/90/26/72/1273902672.db2.gz DNFKCCNGAXMEAS-UHFFFAOYSA-N 1 3 347.547 2.999 20 30 EFEDHO C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109471621 1274322272 /nfs/dbraw/zinc/32/22/72/1274322272.db2.gz CKGAYIHAQWNMFA-SQNIBIBYSA-N 1 3 333.520 2.937 20 30 EFEDHO C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471621 1274322276 /nfs/dbraw/zinc/32/22/76/1274322276.db2.gz CKGAYIHAQWNMFA-SQNIBIBYSA-N 1 3 333.520 2.937 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741678 1274434247 /nfs/dbraw/zinc/43/42/47/1274434247.db2.gz QLIYAJKLJACNKP-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741678 1274434251 /nfs/dbraw/zinc/43/42/51/1274434251.db2.gz QLIYAJKLJACNKP-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036302567 1275383816 /nfs/dbraw/zinc/38/38/16/1275383816.db2.gz JKUGAIVFFDVXKJ-KDOFPFPSSA-N 1 3 349.906 2.941 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036304876 1275388639 /nfs/dbraw/zinc/38/86/39/1275388639.db2.gz RINWGCOXARFSHI-RDTXWAMCSA-N 1 3 349.906 2.941 20 30 EFEDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000746674668 1275749569 /nfs/dbraw/zinc/74/95/69/1275749569.db2.gz IFYNXGJVKJUPAU-IBGZPJMESA-N 1 3 331.460 2.522 20 30 EFEDHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135996776 1276287454 /nfs/dbraw/zinc/28/74/54/1276287454.db2.gz VQLOWZZSPLNNPJ-IRXDYDNUSA-N 1 3 344.503 2.663 20 30 EFEDHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccccc1C#N ZINC001135996776 1276287456 /nfs/dbraw/zinc/28/74/56/1276287456.db2.gz VQLOWZZSPLNNPJ-IRXDYDNUSA-N 1 3 344.503 2.663 20 30 EFEDHO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000819016480 1276591041 /nfs/dbraw/zinc/59/10/41/1276591041.db2.gz ZQZOHYQIBHGWND-RBBKRZOGSA-N 1 3 349.478 2.746 20 30 EFEDHO CC[NH+]=C(NCC1CCSCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000086899637 1276859857 /nfs/dbraw/zinc/85/98/57/1276859857.db2.gz WRCPBJWQCJDESQ-QGZVFWFLSA-N 1 3 338.565 2.655 20 30 EFEDHO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001086597522 1278044959 /nfs/dbraw/zinc/04/49/59/1278044959.db2.gz JWKDGCNXNULPBZ-VQTJNVASSA-N 1 3 346.434 2.718 20 30 EFEDHO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001086597522 1278044964 /nfs/dbraw/zinc/04/49/64/1278044964.db2.gz JWKDGCNXNULPBZ-VQTJNVASSA-N 1 3 346.434 2.718 20 30 EFEDHO C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597522 1278044969 /nfs/dbraw/zinc/04/49/69/1278044969.db2.gz JWKDGCNXNULPBZ-VQTJNVASSA-N 1 3 346.434 2.718 20 30 EFEDHO C[NH+](C)CCN1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170375913 1279075541 /nfs/dbraw/zinc/07/55/41/1279075541.db2.gz HPXRDPSEEDDFNF-UHFFFAOYSA-N 1 3 340.515 2.570 20 30 EFEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001171194417 1279740694 /nfs/dbraw/zinc/74/06/94/1279740694.db2.gz JIJBCZIDUAKJBD-QGZVFWFLSA-N 1 3 341.499 2.970 20 30 EFEDHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001175314973 1287398692 /nfs/dbraw/zinc/39/86/92/1287398692.db2.gz DAWGZDOROIZGCW-LPHOPBHVSA-N 1 3 344.503 2.663 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001146584831 1280940120 /nfs/dbraw/zinc/94/01/20/1280940120.db2.gz VFSJAAVGGVVYEN-ZWKOTPCHSA-N 1 3 345.531 2.705 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610115 1280950765 /nfs/dbraw/zinc/95/07/65/1280950765.db2.gz HEOIZFHORZQVFR-RTBURBONSA-N 1 3 347.547 2.951 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCC=C)CC1 ZINC001146610114 1280951153 /nfs/dbraw/zinc/95/11/53/1280951153.db2.gz HEOIZFHORZQVFR-RBUKOAKNSA-N 1 3 347.547 2.951 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC001146610137 1280951326 /nfs/dbraw/zinc/95/13/26/1280951326.db2.gz HTMXLDDYMIINLP-QZTJIDSGSA-N 1 3 335.536 2.641 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086910362 1281913285 /nfs/dbraw/zinc/91/32/85/1281913285.db2.gz RQJLFXRMVIIYMF-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001086947228 1281986570 /nfs/dbraw/zinc/98/65/70/1281986570.db2.gz SCRXQJIQEBFRKY-MOPGFXCFSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086928151 1281990127 /nfs/dbraw/zinc/99/01/27/1281990127.db2.gz WPQXSODELVMYSK-RBUKOAKNSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086928151 1281990130 /nfs/dbraw/zinc/99/01/30/1281990130.db2.gz WPQXSODELVMYSK-RBUKOAKNSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001086928828 1281991976 /nfs/dbraw/zinc/99/19/76/1281991976.db2.gz PJSLTDRVDMFJQE-ZWKOTPCHSA-N 1 3 335.536 2.996 20 30 EFEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958700 1282033354 /nfs/dbraw/zinc/03/33/54/1282033354.db2.gz YYLQVHRGHKSILE-LJQANCHMSA-N 1 3 345.531 2.589 20 30 EFEDHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C#N ZINC001175766842 1287546609 /nfs/dbraw/zinc/54/66/09/1287546609.db2.gz AZGYIRXAKJPCNT-QGZVFWFLSA-N 1 3 344.503 2.665 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071235 1282369451 /nfs/dbraw/zinc/36/94/51/1282369451.db2.gz MLTOAUOBLKBHSX-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071235 1282369457 /nfs/dbraw/zinc/36/94/57/1282369457.db2.gz MLTOAUOBLKBHSX-HBFSDRIKSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092299868 1282548567 /nfs/dbraw/zinc/54/85/67/1282548567.db2.gz KHGWSHPWSVJYRA-NQIIRXRSSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092299868 1282548579 /nfs/dbraw/zinc/54/85/79/1282548579.db2.gz KHGWSHPWSVJYRA-NQIIRXRSSA-N 1 3 341.499 2.718 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518638 1283779806 /nfs/dbraw/zinc/77/98/06/1283779806.db2.gz LZVJSNCXMUFHNJ-UYAOXDASSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518638 1283779816 /nfs/dbraw/zinc/77/98/16/1283779816.db2.gz LZVJSNCXMUFHNJ-UYAOXDASSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCC(C)C)C2)CC1 ZINC001132518634 1283779877 /nfs/dbraw/zinc/77/98/77/1283779877.db2.gz LZVJSNCXMUFHNJ-ICSRJNTNSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC(C)C)C2)CC1 ZINC001132518634 1283779887 /nfs/dbraw/zinc/77/98/87/1283779887.db2.gz LZVJSNCXMUFHNJ-ICSRJNTNSA-N 1 3 347.547 2.737 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361298 1283784477 /nfs/dbraw/zinc/78/44/77/1283784477.db2.gz JVIIEGOWBWLQTB-RBUKOAKNSA-N 1 3 345.531 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361298 1283784485 /nfs/dbraw/zinc/78/44/85/1283784485.db2.gz JVIIEGOWBWLQTB-RBUKOAKNSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361539 1283784736 /nfs/dbraw/zinc/78/47/36/1283784736.db2.gz LPWXWOZHGXZKQG-OALUTQOASA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361539 1283784744 /nfs/dbraw/zinc/78/47/44/1283784744.db2.gz LPWXWOZHGXZKQG-OALUTQOASA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093374025 1283818348 /nfs/dbraw/zinc/81/83/48/1283818348.db2.gz XJOBZMMMFKHGED-QZTJIDSGSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093374025 1283818351 /nfs/dbraw/zinc/81/83/51/1283818351.db2.gz XJOBZMMMFKHGED-QZTJIDSGSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377039 1283828709 /nfs/dbraw/zinc/82/87/09/1283828709.db2.gz FOEJCJRRVYREGX-PXNSSMCTSA-N 1 3 345.531 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377039 1283828718 /nfs/dbraw/zinc/82/87/18/1283828718.db2.gz FOEJCJRRVYREGX-PXNSSMCTSA-N 1 3 345.531 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820872 1284060210 /nfs/dbraw/zinc/06/02/10/1284060210.db2.gz QDJDZZHRORZVBT-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820872 1284060218 /nfs/dbraw/zinc/06/02/18/1284060218.db2.gz QDJDZZHRORZVBT-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132832498 1284361565 /nfs/dbraw/zinc/36/15/65/1284361565.db2.gz XNZXUXANBXZSOI-ROUUACIJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132932646 1284485292 /nfs/dbraw/zinc/48/52/92/1284485292.db2.gz KOWNKXLUWVOPAK-UKRRQHHQSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120780 1284829646 /nfs/dbraw/zinc/82/96/46/1284829646.db2.gz AYPMBROLSGIARV-MSOLQXFVSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121978 1284831257 /nfs/dbraw/zinc/83/12/57/1284831257.db2.gz NCNQZMJGAYCEED-ROUUACIJSA-N 1 3 335.536 2.759 20 30 EFEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CC[C@H]1C ZINC001133185667 1284952364 /nfs/dbraw/zinc/95/23/64/1284952364.db2.gz HBFQPCBMEPYFDZ-MOPGFXCFSA-N 1 3 335.536 2.596 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133196179 1284974252 /nfs/dbraw/zinc/97/42/52/1284974252.db2.gz TXZYGVWGZREOBS-RBUKOAKNSA-N 1 3 335.536 2.759 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902141 1285380905 /nfs/dbraw/zinc/38/09/05/1285380905.db2.gz FTIDTFXQGIFPEI-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902141 1285380915 /nfs/dbraw/zinc/38/09/15/1285380915.db2.gz FTIDTFXQGIFPEI-QUCCMNQESA-N 1 3 341.499 2.861 20 30 EFEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172300784 1286088785 /nfs/dbraw/zinc/08/87/85/1286088785.db2.gz ZHHRWKWDBFUQHL-KRWDZBQOSA-N 1 3 341.499 2.970 20 30 EFEDHO CC[NH+](CC)CCCN1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172320615 1286098457 /nfs/dbraw/zinc/09/84/57/1286098457.db2.gz XBSSWXRNNGWWAS-IBGZPJMESA-N 1 3 342.531 2.839 20 30 EFEDHO CC[N@H+](CCCN(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989170 1286365904 /nfs/dbraw/zinc/36/59/04/1286365904.db2.gz GGDAFLCQZLSIIC-CVEARBPZSA-N 1 3 338.496 2.552 20 30 EFEDHO CC[N@@H+](CCCN(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172989170 1286365915 /nfs/dbraw/zinc/36/59/15/1286365915.db2.gz GGDAFLCQZLSIIC-CVEARBPZSA-N 1 3 338.496 2.552 20 30 EFEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739630 1288090034 /nfs/dbraw/zinc/09/00/34/1288090034.db2.gz XTDVQLWTPSLRHL-QGZVFWFLSA-N 1 3 329.488 2.650 20 30 EFEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176745670 1288092495 /nfs/dbraw/zinc/09/24/95/1288092495.db2.gz CEXUSKBDDPRTPL-QGZVFWFLSA-N 1 3 329.488 2.650 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001165728393 1312671309 /nfs/dbraw/zinc/67/13/09/1312671309.db2.gz QRMVMVQSQJXSLX-HOTGVXAUSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165728393 1312671313 /nfs/dbraw/zinc/67/13/13/1312671313.db2.gz QRMVMVQSQJXSLX-HOTGVXAUSA-N 1 3 339.911 2.632 20 30 EFEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC(C)(C)C1 ZINC001177416101 1288424491 /nfs/dbraw/zinc/42/44/91/1288424491.db2.gz UJFFMHUHXZXPPS-UHFFFAOYSA-N 1 3 347.547 2.740 20 30 EFEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC(C)(C)C1 ZINC001177416268 1288424595 /nfs/dbraw/zinc/42/45/95/1288424595.db2.gz YIVZJRNLZIBFBM-UHFFFAOYSA-N 1 3 335.536 2.903 20 30 EFEDHO C[C@H](C[C@@H](C)NC(=O)CCCC[NH+](C)C)NCc1ccccc1C#N ZINC001135965997 1288689272 /nfs/dbraw/zinc/68/92/72/1288689272.db2.gz HGCCDCPYUAGQTE-IAGOWNOFSA-N 1 3 344.503 2.663 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539382 1289183635 /nfs/dbraw/zinc/18/36/35/1289183635.db2.gz WOPJSBPHIQMKNS-BXWFABGCSA-N 1 3 339.499 2.744 20 30 EFEDHO C=CC[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179585085 1289202585 /nfs/dbraw/zinc/20/25/85/1289202585.db2.gz CEADZTSIPWCHBZ-SFHVURJKSA-N 1 3 327.488 2.651 20 30 EFEDHO C=C(Br)C[NH2+]CCCCCCNC(=O)CN(CC)CC ZINC001179846770 1289284897 /nfs/dbraw/zinc/28/48/97/1289284897.db2.gz UQPWYPRHXOJPCT-UHFFFAOYSA-N 1 3 348.329 2.503 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926858 1312705589 /nfs/dbraw/zinc/70/55/89/1312705589.db2.gz GZBZTTWZCAVCDG-MRXNPFEDSA-N 1 3 341.927 2.735 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926858 1312705593 /nfs/dbraw/zinc/70/55/93/1312705593.db2.gz GZBZTTWZCAVCDG-MRXNPFEDSA-N 1 3 341.927 2.735 20 30 EFEDHO CC#CC[NH2+]CCCCCCNC(=O)c1ccccc1CN(C)C ZINC001180365991 1289514058 /nfs/dbraw/zinc/51/40/58/1289514058.db2.gz SOZJXCKJVVJGEU-UHFFFAOYSA-N 1 3 329.488 2.651 20 30 EFEDHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001180369784 1289516786 /nfs/dbraw/zinc/51/67/86/1289516786.db2.gz XKQBEMDAFZYZFF-UHFFFAOYSA-N 1 3 344.503 2.665 20 30 EFEDHO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001181468408 1289799919 /nfs/dbraw/zinc/79/99/19/1289799919.db2.gz XLCJBCRRVNFVCA-YLJYHZDGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441143 1289807694 /nfs/dbraw/zinc/80/76/94/1289807694.db2.gz MJDGMKAMSHHHHP-QWFCFKBJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2CCC)C[C@H]1C ZINC001181671857 1289899113 /nfs/dbraw/zinc/89/91/13/1289899113.db2.gz RKMNXSDXNGCDNA-WSTZPKSXSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736295 1289938866 /nfs/dbraw/zinc/93/88/66/1289938866.db2.gz KITJDSFUUDOLTA-MBOZVWFJSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001183517178 1290352717 /nfs/dbraw/zinc/35/27/17/1290352717.db2.gz SWVBKQPZGFOTMG-QWFCFKBJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001183516890 1290353349 /nfs/dbraw/zinc/35/33/49/1290353349.db2.gz DDZHDJHPGWDTDA-WSTZPKSXSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001183509474 1290358439 /nfs/dbraw/zinc/35/84/39/1290358439.db2.gz IDVPIYVZQQWVOX-OXQOHEQNSA-N 1 3 329.488 2.622 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185167814 1290607603 /nfs/dbraw/zinc/60/76/03/1290607603.db2.gz FJGYSFXDTOEMTO-ZWKOTPCHSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185167811 1290607921 /nfs/dbraw/zinc/60/79/21/1290607921.db2.gz FJGYSFXDTOEMTO-QZTJIDSGSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185171168 1290608959 /nfs/dbraw/zinc/60/89/59/1290608959.db2.gz URRUGMYBWVEPTA-GDBMZVCRSA-N 1 3 343.943 2.791 20 30 EFEDHO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185170806 1290609439 /nfs/dbraw/zinc/60/94/39/1290609439.db2.gz RZKFQAZMJHOSFO-MSOLQXFVSA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185360966 1290651119 /nfs/dbraw/zinc/65/11/19/1290651119.db2.gz RHRNADYIPIROJC-OALUTQOASA-N 1 3 335.536 2.759 20 30 EFEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000876736968 1290995020 /nfs/dbraw/zinc/99/50/20/1290995020.db2.gz YNKGRGYYXZIECI-IRXDYDNUSA-N 1 3 335.879 2.627 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957561531 1291769086 /nfs/dbraw/zinc/76/90/86/1291769086.db2.gz SFAGSZZRODUKCS-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016611746 1312881217 /nfs/dbraw/zinc/88/12/17/1312881217.db2.gz FSRBFKLECKKBRD-ZWKOTPCHSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475746 1312903023 /nfs/dbraw/zinc/90/30/23/1312903023.db2.gz ARHOODDAGLKMOS-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049475746 1312903027 /nfs/dbraw/zinc/90/30/27/1312903027.db2.gz ARHOODDAGLKMOS-QZTJIDSGSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001016652334 1312904785 /nfs/dbraw/zinc/90/47/85/1312904785.db2.gz RWXJXOPWRNQTJR-MSOLQXFVSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479050 1312908178 /nfs/dbraw/zinc/90/81/78/1312908178.db2.gz XHONWSADRQKUNU-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049479050 1312908179 /nfs/dbraw/zinc/90/81/79/1312908179.db2.gz XHONWSADRQKUNU-ROUUACIJSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428328 1312922584 /nfs/dbraw/zinc/92/25/84/1312922584.db2.gz XXVGGYHKVAJPGE-IRXDYDNUSA-N 1 3 335.536 2.948 20 30 EFEDHO CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508570 1312941929 /nfs/dbraw/zinc/94/19/29/1312941929.db2.gz ZDYGIRCZLNVWAB-MSOLQXFVSA-N 1 3 333.520 2.539 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513945 1312949152 /nfs/dbraw/zinc/94/91/52/1312949152.db2.gz XWWAFOCUNKIGHS-DLBZAZTESA-N 1 3 345.512 2.512 20 30 EFEDHO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1CN(C)C ZINC001049513945 1312949156 /nfs/dbraw/zinc/94/91/56/1312949156.db2.gz XWWAFOCUNKIGHS-DLBZAZTESA-N 1 3 345.512 2.512 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C12CCC2 ZINC001203770238 1313010338 /nfs/dbraw/zinc/01/03/38/1313010338.db2.gz FKGBMCXROMYWNX-JKSUJKDBSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226863 1293560558 /nfs/dbraw/zinc/56/05/58/1293560558.db2.gz HCACYXVUGGRJFO-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194226863 1293560567 /nfs/dbraw/zinc/56/05/67/1293560567.db2.gz HCACYXVUGGRJFO-LJQANCHMSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C12CCC2 ZINC001203782301 1313013510 /nfs/dbraw/zinc/01/35/10/1313013510.db2.gz MZNKGZRGIOYUFH-CVEARBPZSA-N 1 3 339.911 2.632 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862016 1313015460 /nfs/dbraw/zinc/01/54/60/1313015460.db2.gz RQFNWKIYXGZAHC-QZTJIDSGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001049568776 1313030875 /nfs/dbraw/zinc/03/08/75/1313030875.db2.gz WKFKKJMFFYSJNM-OTWHNJEPSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568776 1313030877 /nfs/dbraw/zinc/03/08/77/1313030877.db2.gz WKFKKJMFFYSJNM-OTWHNJEPSA-N 1 3 333.520 2.748 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc2ccccc21 ZINC000303871588 1294592890 /nfs/dbraw/zinc/59/28/90/1294592890.db2.gz FYBOFCFZGDJBIQ-QGZVFWFLSA-N 1 3 340.471 2.607 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc2ccccc21 ZINC000303871581 1294593791 /nfs/dbraw/zinc/59/37/91/1294593791.db2.gz FYBOFCFZGDJBIQ-KRWDZBQOSA-N 1 3 340.471 2.607 20 30 EFEDHO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCCCO2)cc1C#N ZINC001276443388 1313087826 /nfs/dbraw/zinc/08/78/26/1313087826.db2.gz KLGCHYHIBTWWOE-AQDPXUSMSA-N 1 3 342.487 2.551 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CC1 ZINC000303988121 1294615752 /nfs/dbraw/zinc/61/57/52/1294615752.db2.gz WGBDBDKTSVGWPC-MRXNPFEDSA-N 1 3 334.895 2.760 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(Cl)cc2)CC1 ZINC000303988120 1294615994 /nfs/dbraw/zinc/61/59/94/1294615994.db2.gz WGBDBDKTSVGWPC-INIZCTEOSA-N 1 3 334.895 2.760 20 30 EFEDHO CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345901 1313109434 /nfs/dbraw/zinc/10/94/34/1313109434.db2.gz NRXZZJPHKRLPEE-RTBURBONSA-N 1 3 335.536 2.831 20 30 EFEDHO C=CCCN[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccccc1OC ZINC001198766749 1295240451 /nfs/dbraw/zinc/24/04/51/1295240451.db2.gz HCDPDSWMPWSETQ-HKUYNNGSSA-N 1 3 347.503 2.604 20 30 EFEDHO C=CCC[NH2+][C@@H](CNC(=O)CN1CCC[C@@H]1C)c1ccccc1OC ZINC001198902862 1295304667 /nfs/dbraw/zinc/30/46/67/1295304667.db2.gz QWCKFDSFBWVYON-WMZOPIPTSA-N 1 3 345.487 2.503 20 30 EFEDHO C=CCCN[C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968540 1295365759 /nfs/dbraw/zinc/36/57/59/1295365759.db2.gz NLNPXVQCODIDLD-SFHVURJKSA-N 1 3 347.503 2.750 20 30 EFEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717933 1313219635 /nfs/dbraw/zinc/21/96/35/1313219635.db2.gz HQKJUKSDZGIJBY-PMACEKPBSA-N 1 3 341.499 2.656 20 30 EFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318757 1313269089 /nfs/dbraw/zinc/26/90/89/1313269089.db2.gz QDFVKWGNNAUQKG-RBUKOAKNSA-N 1 3 347.478 2.628 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049766758 1313277109 /nfs/dbraw/zinc/27/71/09/1313277109.db2.gz MXSGZQZNRLHZFS-CEXWTWQISA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049766758 1313277112 /nfs/dbraw/zinc/27/71/12/1313277112.db2.gz MXSGZQZNRLHZFS-CEXWTWQISA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049768218 1313278672 /nfs/dbraw/zinc/27/86/72/1313278672.db2.gz UVEHFJPSHGGSTM-OTWHNJEPSA-N 1 3 333.520 2.891 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001049768218 1313278675 /nfs/dbraw/zinc/27/86/75/1313278675.db2.gz UVEHFJPSHGGSTM-OTWHNJEPSA-N 1 3 333.520 2.891 20 30 EFEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001235339013 1313296278 /nfs/dbraw/zinc/29/62/78/1313296278.db2.gz WKQYDMPBCRWYMT-RBUKOAKNSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001235339013 1313296282 /nfs/dbraw/zinc/29/62/82/1313296282.db2.gz WKQYDMPBCRWYMT-RBUKOAKNSA-N 1 3 333.520 2.892 20 30 EFEDHO CN(C)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1C#N ZINC001235428173 1313319461 /nfs/dbraw/zinc/31/94/61/1313319461.db2.gz PGQRFWPMKSPSOI-HOTGVXAUSA-N 1 3 344.478 2.975 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1F ZINC001205674172 1313334973 /nfs/dbraw/zinc/33/49/73/1313334973.db2.gz CDHLVJAQQWTGGA-PKOBYXMFSA-N 1 3 347.478 2.628 20 30 EFEDHO CCCCCCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201762412 1297060211 /nfs/dbraw/zinc/06/02/11/1297060211.db2.gz KGDXTYAUJNUDLX-UHFFFAOYSA-N 1 3 333.520 2.781 20 30 EFEDHO CCCCCCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001201762412 1297060225 /nfs/dbraw/zinc/06/02/25/1297060225.db2.gz KGDXTYAUJNUDLX-UHFFFAOYSA-N 1 3 333.520 2.781 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913486 1313475340 /nfs/dbraw/zinc/47/53/40/1313475340.db2.gz YKFWJEBVOROSSN-RBUKOAKNSA-N 1 3 327.472 2.613 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913486 1313475342 /nfs/dbraw/zinc/47/53/42/1313475342.db2.gz YKFWJEBVOROSSN-RBUKOAKNSA-N 1 3 327.472 2.613 20 30 EFEDHO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913484 1313475668 /nfs/dbraw/zinc/47/56/68/1313475668.db2.gz YKFWJEBVOROSSN-MOPGFXCFSA-N 1 3 327.472 2.613 20 30 EFEDHO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049913484 1313475672 /nfs/dbraw/zinc/47/56/72/1313475672.db2.gz YKFWJEBVOROSSN-MOPGFXCFSA-N 1 3 327.472 2.613 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180412 1298257387 /nfs/dbraw/zinc/25/73/87/1298257387.db2.gz GVZUDQUVGBTLKN-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180412 1298257393 /nfs/dbraw/zinc/25/73/93/1298257393.db2.gz GVZUDQUVGBTLKN-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961184739 1298268586 /nfs/dbraw/zinc/26/85/86/1298268586.db2.gz OEPUKUDTZHAHDG-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961184739 1298268591 /nfs/dbraw/zinc/26/85/91/1298268591.db2.gz OEPUKUDTZHAHDG-OALUTQOASA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259608 1298431595 /nfs/dbraw/zinc/43/15/95/1298431595.db2.gz ISFUWHYTDIBVRU-VQTJNVASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961259608 1298431601 /nfs/dbraw/zinc/43/16/01/1298431601.db2.gz ISFUWHYTDIBVRU-VQTJNVASSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961372945 1298635573 /nfs/dbraw/zinc/63/55/73/1298635573.db2.gz FDXZHQUNJQBFFT-UXHICEINSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961372945 1298635584 /nfs/dbraw/zinc/63/55/84/1298635584.db2.gz FDXZHQUNJQBFFT-UXHICEINSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961372296 1298635735 /nfs/dbraw/zinc/63/57/35/1298635735.db2.gz AVKAZQMIWOTQNL-WOJBJXKFSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961372296 1298635744 /nfs/dbraw/zinc/63/57/44/1298635744.db2.gz AVKAZQMIWOTQNL-WOJBJXKFSA-N 1 3 347.547 2.853 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961377992 1298648252 /nfs/dbraw/zinc/64/82/52/1298648252.db2.gz JSUUZIVIBWVNPX-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961377992 1298648263 /nfs/dbraw/zinc/64/82/63/1298648263.db2.gz JSUUZIVIBWVNPX-RTBURBONSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961401308 1298692868 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347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961417678 1298720676 /nfs/dbraw/zinc/72/06/76/1298720676.db2.gz ZUQXALYVZONWBP-GOSISDBHSA-N 1 3 344.503 2.869 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961417678 1298720679 /nfs/dbraw/zinc/72/06/79/1298720679.db2.gz ZUQXALYVZONWBP-GOSISDBHSA-N 1 3 344.503 2.869 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC000961435354 1298744278 /nfs/dbraw/zinc/74/42/78/1298744278.db2.gz MIPGKKOHZSBISV-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC000961435354 1298744289 /nfs/dbraw/zinc/74/42/89/1298744289.db2.gz MIPGKKOHZSBISV-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961439237 1298748995 /nfs/dbraw/zinc/74/89/95/1298748995.db2.gz GLPASNVTSGNJMW-IBGZPJMESA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961439237 1298749008 /nfs/dbraw/zinc/74/90/08/1298749008.db2.gz GLPASNVTSGNJMW-IBGZPJMESA-N 1 3 333.520 2.609 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000305793247 1298868795 /nfs/dbraw/zinc/86/87/95/1298868795.db2.gz MHEGAJJRCSTSTQ-IRXDYDNUSA-N 1 3 344.503 2.504 20 30 EFEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951449 1313568781 /nfs/dbraw/zinc/56/87/81/1313568781.db2.gz RKIYUHGAOPTPAF-UHFFFAOYSA-N 1 3 349.906 2.943 20 30 EFEDHO C#C[C@@](C)(CC)N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000852101780 1299546892 /nfs/dbraw/zinc/54/68/92/1299546892.db2.gz SQWLHDSZOOIDGP-UWJYYQICSA-N 1 3 341.499 2.547 20 30 EFEDHO COc1cc(C#N)ccc1OC1CC[NH+](CC(C)(C)CN(C)C)CC1 ZINC001207283140 1313651754 /nfs/dbraw/zinc/65/17/54/1313651754.db2.gz TUVPGBWDHPZDPX-UHFFFAOYSA-N 1 3 345.487 2.998 20 30 EFEDHO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963307036 1300557585 /nfs/dbraw/zinc/55/75/85/1300557585.db2.gz VWIWNHVFTFSXQZ-MOPGFXCFSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963307036 1300557595 /nfs/dbraw/zinc/55/75/95/1300557595.db2.gz VWIWNHVFTFSXQZ-MOPGFXCFSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963307037 1300557610 /nfs/dbraw/zinc/55/76/10/1300557610.db2.gz VWIWNHVFTFSXQZ-OALUTQOASA-N 1 3 345.531 2.587 20 30 EFEDHO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963307037 1300557614 /nfs/dbraw/zinc/55/76/14/1300557614.db2.gz VWIWNHVFTFSXQZ-OALUTQOASA-N 1 3 345.531 2.587 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313542 1300574398 /nfs/dbraw/zinc/57/43/98/1300574398.db2.gz GCUIHVRUMCYGAZ-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313542 1300574404 /nfs/dbraw/zinc/57/44/04/1300574404.db2.gz GCUIHVRUMCYGAZ-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384211 1300741066 /nfs/dbraw/zinc/74/10/66/1300741066.db2.gz RRAMCYVQPSZKLS-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384211 1300741072 /nfs/dbraw/zinc/74/10/72/1300741072.db2.gz RRAMCYVQPSZKLS-PMACEKPBSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000963808655 1301334771 /nfs/dbraw/zinc/33/47/71/1301334771.db2.gz NFJGFUKFZJJAHL-UHFFFAOYSA-N 1 3 333.520 2.844 20 30 EFEDHO C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1CC ZINC001037983141 1305589697 /nfs/dbraw/zinc/58/96/97/1305589697.db2.gz MBPWSKFMVQINHK-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCCCCCC[C@@H](O)C[N@@H+](CCCOC)C1CCNCC1 ZINC001246046434 1314573481 /nfs/dbraw/zinc/57/34/81/1314573481.db2.gz QBDMVQFFZCZVPO-LJQANCHMSA-N 1 3 326.525 2.964 20 30 EFEDHO C=CCCCCCC[C@@H](O)C[N@H+](CCCOC)C1CCNCC1 ZINC001246046434 1314573486 /nfs/dbraw/zinc/57/34/86/1314573486.db2.gz QBDMVQFFZCZVPO-LJQANCHMSA-N 1 3 326.525 2.964 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326775 1306136616 /nfs/dbraw/zinc/13/66/16/1306136616.db2.gz IUHWRRVCTUMYQH-PXNSSMCTSA-N 1 3 343.515 2.807 20 30 EFEDHO C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681088 1306563411 /nfs/dbraw/zinc/56/34/11/1306563411.db2.gz GQERGRDZTSLJJV-LPHOPBHVSA-N 1 3 329.488 2.765 20 30 EFEDHO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC000968877318 1306749976 /nfs/dbraw/zinc/74/99/76/1306749976.db2.gz UARUYQGTROXCCA-QGZVFWFLSA-N 1 3 347.528 2.807 20 30 EFEDHO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1CN(C)C ZINC000968877318 1306749981 /nfs/dbraw/zinc/74/99/81/1306749981.db2.gz UARUYQGTROXCCA-QGZVFWFLSA-N 1 3 347.528 2.807 20 30 EFEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044861225 1306871498 /nfs/dbraw/zinc/87/14/98/1306871498.db2.gz AQOXICJKFIVCDZ-LPHOPBHVSA-N 1 3 329.488 2.907 20 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ZINC001045942468 1307953838 /nfs/dbraw/zinc/95/38/38/1307953838.db2.gz YBKAMRIFOSZTKM-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943347 1307956905 /nfs/dbraw/zinc/95/69/05/1307956905.db2.gz IKGKPEPLNIYXCW-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045943347 1307956910 /nfs/dbraw/zinc/95/69/10/1307956910.db2.gz IKGKPEPLNIYXCW-IBGZPJMESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943738 1307959083 /nfs/dbraw/zinc/95/90/83/1307959083.db2.gz NSZWSOQDIPHSRA-CTNGQTDRSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943738 1307959088 /nfs/dbraw/zinc/95/90/88/1307959088.db2.gz NSZWSOQDIPHSRA-CTNGQTDRSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046996813 1309886767 /nfs/dbraw/zinc/88/67/67/1309886767.db2.gz XQUPSRTXIRKSOW-HOTGVXAUSA-N 1 3 343.462 2.510 20 30 EFEDHO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046996813 1309886780 /nfs/dbraw/zinc/88/67/80/1309886780.db2.gz XQUPSRTXIRKSOW-HOTGVXAUSA-N 1 3 343.462 2.510 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047243604 1310397391 /nfs/dbraw/zinc/39/73/91/1310397391.db2.gz LTEGUZWEPBIOOC-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047244143 1310400326 /nfs/dbraw/zinc/40/03/26/1310400326.db2.gz QGOOKTRPVVXRLK-LJQANCHMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244667 1310401686 /nfs/dbraw/zinc/40/16/86/1310401686.db2.gz UIMJHWGPXNHSGX-VQTJNVASSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256063 1310429338 /nfs/dbraw/zinc/42/93/38/1310429338.db2.gz GATDAUIUIPCVES-ICSRJNTNSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256810 1310431885 /nfs/dbraw/zinc/43/18/85/1310431885.db2.gz OCSGCAXJMLLAOZ-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047258273 1310435759 /nfs/dbraw/zinc/43/57/59/1310435759.db2.gz YXUMZCRMOHIEBG-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001047266214 1310460845 /nfs/dbraw/zinc/46/08/45/1310460845.db2.gz TUCWCMIHYDVHSR-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCCCCCCCC[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521350 1311146154 /nfs/dbraw/zinc/14/61/54/1311146154.db2.gz REPNOZXSMYAKJW-HXUWFJFHSA-N 1 3 333.520 2.705 20 30 EFEDHO C=CCCCCCCCCC[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001222521350 1311146156 /nfs/dbraw/zinc/14/61/56/1311146156.db2.gz REPNOZXSMYAKJW-HXUWFJFHSA-N 1 3 333.520 2.705 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430483 1311309325 /nfs/dbraw/zinc/30/93/25/1311309325.db2.gz RZKDIZUCIGIFBO-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)N2CCCCCC2)[C@H](C)C1 ZINC001102430483 1311309329 /nfs/dbraw/zinc/30/93/29/1311309329.db2.gz RZKDIZUCIGIFBO-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C#CCN1CCC(C(=O)NCC2CC[NH+]([C@H](C)CCC=C)CC2)CC1 ZINC001225557915 1311542349 /nfs/dbraw/zinc/54/23/49/1311542349.db2.gz WFYFAALVNYKSKH-GOSISDBHSA-N 1 3 345.531 2.515 20 30 EFEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001160142714 1311653699 /nfs/dbraw/zinc/65/36/99/1311653699.db2.gz UHSACFFXKAHBAE-LJQANCHMSA-N 1 3 345.531 2.965 20 30 EFEDHO C=CCN1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001160142714 1311653701 /nfs/dbraw/zinc/65/37/01/1311653701.db2.gz UHSACFFXKAHBAE-LJQANCHMSA-N 1 3 345.531 2.965 20 30 EFEDHO C[C@@H](CS)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165228 1311770950 /nfs/dbraw/zinc/77/09/50/1311770950.db2.gz QEDQLHKJQGNZQI-AWEZNQCLSA-N 1 3 339.549 2.569 20 30 EFEDHO N#Cc1ccc(CN2CCC(NC[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902481606 1311781686 /nfs/dbraw/zinc/78/16/86/1311781686.db2.gz FNOGGAAAANSDDK-FQEVSTJZSA-N 1 3 326.488 2.644 20 30 EFEDHO CC#CCCCCCCCC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445058 1311891747 /nfs/dbraw/zinc/89/17/47/1311891747.db2.gz MSTRYRSCMWJXDX-LJQANCHMSA-N 1 3 335.536 2.883 20 30 EFEDHO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572625 1311921075 /nfs/dbraw/zinc/92/10/75/1311921075.db2.gz PCPMPQZZEHFGRV-IYWMVGAKSA-N 1 3 345.531 2.632 20 30 EFEDHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001048572625 1311921077 /nfs/dbraw/zinc/92/10/77/1311921077.db2.gz PCPMPQZZEHFGRV-IYWMVGAKSA-N 1 3 345.531 2.632 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836975 1312187280 /nfs/dbraw/zinc/18/72/80/1312187280.db2.gz YTCBNVOSBBMWML-FQEVSTJZSA-N 1 3 345.531 2.810 20 30 EFEDHO C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960218 1312212380 /nfs/dbraw/zinc/21/23/80/1312212380.db2.gz PVKMWVUBJDBEIX-UHFFFAOYSA-N 1 3 331.504 2.565 20 30 EFEDHO C=CCCC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001230342345 1312225711 /nfs/dbraw/zinc/22/57/11/1312225711.db2.gz JXUVYOLGIBOIOP-UHFFFAOYSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230606744 1312281512 /nfs/dbraw/zinc/28/15/12/1312281512.db2.gz ZKOJTYZSOWEZKX-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230606744 1312281514 /nfs/dbraw/zinc/28/15/14/1312281514.db2.gz ZKOJTYZSOWEZKX-SFHVURJKSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618444 1312285472 /nfs/dbraw/zinc/28/54/72/1312285472.db2.gz ORHAHYVHLZNVFA-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230618444 1312285475 /nfs/dbraw/zinc/28/54/75/1312285475.db2.gz ORHAHYVHLZNVFA-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230617926 1312285974 /nfs/dbraw/zinc/28/59/74/1312285974.db2.gz IIBLCOMUXILAGZ-QGZVFWFLSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001230617926 1312285975 /nfs/dbraw/zinc/28/59/75/1312285975.db2.gz IIBLCOMUXILAGZ-QGZVFWFLSA-N 1 3 341.927 2.784 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628015 1312289992 /nfs/dbraw/zinc/28/99/92/1312289992.db2.gz FLRCEUBDVUWTFV-QGZVFWFLSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628015 1312289996 /nfs/dbraw/zinc/28/99/96/1312289996.db2.gz FLRCEUBDVUWTFV-QGZVFWFLSA-N 1 3 341.927 2.782 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628131 1312290038 /nfs/dbraw/zinc/29/00/38/1312290038.db2.gz HHAHTYSRDCGDHJ-LJQANCHMSA-N 1 3 335.536 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628131 1312290042 /nfs/dbraw/zinc/29/00/42/1312290042.db2.gz HHAHTYSRDCGDHJ-LJQANCHMSA-N 1 3 335.536 2.996 20 30 EFEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1cc(Cl)nc2c1CCNC2 ZINC001163473182 1312320772 /nfs/dbraw/zinc/32/07/72/1312320772.db2.gz LEMPNZJJEAHAOR-UHFFFAOYSA-N 1 3 343.862 2.870 20 30 EFEDHO C=C(C)CN(CCCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccnc1 ZINC001230781757 1312340946 /nfs/dbraw/zinc/34/09/46/1312340946.db2.gz VSIZGZIPUVODHH-IBGZPJMESA-N 1 3 346.519 2.552 20 30 EFEDHO C#CC[N@@H+](C)CCCNCc1ccc(OC)c(Br)c1 ZINC000381367054 1312458435 /nfs/dbraw/zinc/45/84/35/1312458435.db2.gz HUUOGOYUNMVFNC-UHFFFAOYSA-N 1 3 325.250 2.502 20 30 EFEDHO C#CC[N@H+](C)CCCNCc1ccc(OC)c(Br)c1 ZINC000381367054 1312458436 /nfs/dbraw/zinc/45/84/36/1312458436.db2.gz HUUOGOYUNMVFNC-UHFFFAOYSA-N 1 3 325.250 2.502 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232786 1312607638 /nfs/dbraw/zinc/60/76/38/1312607638.db2.gz ZOJTUCGRCPAMIS-BGYRXZFFSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232786 1312607642 /nfs/dbraw/zinc/60/76/42/1312607642.db2.gz ZOJTUCGRCPAMIS-BGYRXZFFSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234640 1312609663 /nfs/dbraw/zinc/60/96/63/1312609663.db2.gz GXFUFJCYXVSXAZ-KDURUIRLSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234640 1312609667 /nfs/dbraw/zinc/60/96/67/1312609667.db2.gz GXFUFJCYXVSXAZ-KDURUIRLSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484478 1312636519 /nfs/dbraw/zinc/63/65/19/1312636519.db2.gz FEWJDMAQFIMQBE-SFHVURJKSA-N 1 3 335.536 2.949 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858190 1314425898 /nfs/dbraw/zinc/42/58/98/1314425898.db2.gz AAKQLBFTFSBWMH-MOPGFXCFSA-N 1 3 333.520 2.635 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001052858190 1314425901 /nfs/dbraw/zinc/42/59/01/1314425901.db2.gz AAKQLBFTFSBWMH-MOPGFXCFSA-N 1 3 333.520 2.635 20 30 EFEDHO C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233470 1314460994 /nfs/dbraw/zinc/46/09/94/1314460994.db2.gz GCZYJDUTBDFUTJ-IBGZPJMESA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250933 1314463554 /nfs/dbraw/zinc/46/35/54/1314463554.db2.gz YPLGRJIWWJVOHT-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)CC2)CC1 ZINC001052953732 1314513462 /nfs/dbraw/zinc/51/34/62/1314513462.db2.gz GYLMBDNOWQKPRB-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)CC2)CC1 ZINC001052953732 1314513467 /nfs/dbraw/zinc/51/34/67/1314513467.db2.gz GYLMBDNOWQKPRB-FQEVSTJZSA-N 1 3 347.547 2.739 20 30 EFEDHO CCCCCCCC[C@@H](O)CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246025198 1314568656 /nfs/dbraw/zinc/56/86/56/1314568656.db2.gz GLTFQCTZMGEKLW-RTBURBONSA-N 1 3 325.541 2.515 20 30 EFEDHO CCCCCCCCCC[C@H](O)CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246048312 1314574458 /nfs/dbraw/zinc/57/44/58/1314574458.db2.gz WQXQMKXGDNTYPJ-TUVJXNFZSA-N 1 3 326.525 2.784 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027826 1314598138 /nfs/dbraw/zinc/59/81/38/1314598138.db2.gz HRTZISNJLYXZFQ-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027826 1314598143 /nfs/dbraw/zinc/59/81/43/1314598143.db2.gz HRTZISNJLYXZFQ-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028341 1314599288 /nfs/dbraw/zinc/59/92/88/1314599288.db2.gz LEVFQFPPFZEBMQ-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028341 1314599292 /nfs/dbraw/zinc/59/92/92/1314599292.db2.gz LEVFQFPPFZEBMQ-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030019 1314604491 /nfs/dbraw/zinc/60/44/91/1314604491.db2.gz ZYAZJLJZUVRVFC-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053030019 1314604495 /nfs/dbraw/zinc/60/44/95/1314604495.db2.gz ZYAZJLJZUVRVFC-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042434 1314623145 /nfs/dbraw/zinc/62/31/45/1314623145.db2.gz PWEQNNYZKVNQTD-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042434 1314623149 /nfs/dbraw/zinc/62/31/49/1314623149.db2.gz PWEQNNYZKVNQTD-RTBURBONSA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042429 1314623349 /nfs/dbraw/zinc/62/33/49/1314623349.db2.gz PWEQNNYZKVNQTD-OALUTQOASA-N 1 3 347.547 2.855 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042429 1314623355 /nfs/dbraw/zinc/62/33/55/1314623355.db2.gz PWEQNNYZKVNQTD-OALUTQOASA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@@H](C)C3)C2)CC1 ZINC001246528717 1314642027 /nfs/dbraw/zinc/64/20/27/1314642027.db2.gz ZYHPRWOOIBMGFP-IRXDYDNUSA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCN[C@@H](C)C3)C2)CC1 ZINC001246528717 1314642030 /nfs/dbraw/zinc/64/20/30/1314642030.db2.gz ZYHPRWOOIBMGFP-IRXDYDNUSA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@@H](C)C3)C2)CC1 ZINC001246528715 1314642366 /nfs/dbraw/zinc/64/23/66/1314642366.db2.gz ZYHPRWOOIBMGFP-DLBZAZTESA-N 1 3 335.492 2.628 20 30 EFEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCN[C@@H](C)C3)C2)CC1 ZINC001246528715 1314642369 /nfs/dbraw/zinc/64/23/69/1314642369.db2.gz ZYHPRWOOIBMGFP-DLBZAZTESA-N 1 3 335.492 2.628 20 30 EFEDHO CCCCCCCCC[C@@H](C)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630085 1314660344 /nfs/dbraw/zinc/66/03/44/1314660344.db2.gz RLBSAMJYSRQJQR-XLIONFOSSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCCC[C@@H](C)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246630085 1314660347 /nfs/dbraw/zinc/66/03/47/1314660347.db2.gz RLBSAMJYSRQJQR-XLIONFOSSA-N 1 3 335.536 2.927 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088425 1314695456 /nfs/dbraw/zinc/69/54/56/1314695456.db2.gz VCDTVPTVAYJBGB-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088425 1314695463 /nfs/dbraw/zinc/69/54/63/1314695463.db2.gz VCDTVPTVAYJBGB-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088424 1314696434 /nfs/dbraw/zinc/69/64/34/1314696434.db2.gz VCDTVPTVAYJBGB-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088424 1314696437 /nfs/dbraw/zinc/69/64/37/1314696437.db2.gz VCDTVPTVAYJBGB-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO N#Cc1ccc(N2CCN([C@@H]3CCC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC001246863900 1314698900 /nfs/dbraw/zinc/69/89/00/1314698900.db2.gz GUMLMTRXLMEIRS-QGZVFWFLSA-N 1 3 342.462 2.742 20 30 EFEDHO N#Cc1ccc(N2CCN(C3CCC4(CC[NH2+]C4)CC3)CC2)c(F)c1 ZINC001246868256 1314699318 /nfs/dbraw/zinc/69/93/18/1314699318.db2.gz ROGWIQJBQBNAQS-UHFFFAOYSA-N 1 3 342.462 2.742 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098372 1314712774 /nfs/dbraw/zinc/71/27/74/1314712774.db2.gz MWPLYZIXIMBQOX-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098372 1314712779 /nfs/dbraw/zinc/71/27/79/1314712779.db2.gz MWPLYZIXIMBQOX-WMZOPIPTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098955 1314713737 /nfs/dbraw/zinc/71/37/37/1314713737.db2.gz RILRMXBAXYXARF-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098955 1314713741 /nfs/dbraw/zinc/71/37/41/1314713741.db2.gz RILRMXBAXYXARF-RBUKOAKNSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053103961 1314723523 /nfs/dbraw/zinc/72/35/23/1314723523.db2.gz BEBKUOXNBRXBHX-UXHICEINSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828957 1315013210 /nfs/dbraw/zinc/01/32/10/1315013210.db2.gz QUWPBEAONLCTSJ-VQIMIIECSA-N 1 3 329.488 2.765 20 30 EFEDHO c1ccc([S+](CCOC[C@H]2CNCCO2)c2ccccc2)cc1 ZINC001217821329 1315114600 /nfs/dbraw/zinc/11/46/00/1315114600.db2.gz ISTANVZLHIQPPE-QGZVFWFLSA-N 1 3 330.473 2.728 20 30 EFEDHO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001218457048 1315199581 /nfs/dbraw/zinc/19/95/81/1315199581.db2.gz BQCOEIDUSASKPL-WOJBJXKFSA-N 1 3 329.488 2.904 20 30 EFEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2ccc(C3([NH3+])CCC3)cc2)cc1 ZINC001218973229 1315266731 /nfs/dbraw/zinc/26/67/31/1315266731.db2.gz XTRFBTGVLXMENM-GOSISDBHSA-N 1 3 334.423 2.925 20 30 EFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001218996513 1315271241 /nfs/dbraw/zinc/27/12/41/1315271241.db2.gz YCZNZDQGSBKLHH-AWEZNQCLSA-N 1 3 340.830 2.785 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141386 1315356282 /nfs/dbraw/zinc/35/62/82/1315356282.db2.gz KGXTXOINKDNIFJ-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054141386 1315356285 /nfs/dbraw/zinc/35/62/85/1315356285.db2.gz KGXTXOINKDNIFJ-QUCCMNQESA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145234 1315363961 /nfs/dbraw/zinc/36/39/61/1315363961.db2.gz NKBUBHZQCDDBMR-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145234 1315363965 /nfs/dbraw/zinc/36/39/65/1315363965.db2.gz NKBUBHZQCDDBMR-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191839 1315433332 /nfs/dbraw/zinc/43/33/32/1315433332.db2.gz NERDZRCXLKHZGS-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054191839 1315433335 /nfs/dbraw/zinc/43/33/35/1315433335.db2.gz NERDZRCXLKHZGS-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCOC[C@@H](O)C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001252460528 1315452359 /nfs/dbraw/zinc/45/23/59/1315452359.db2.gz CPCNZBKGKKOOPE-PKOBYXMFSA-N 1 3 348.487 2.520 20 30 EFEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209882 1315461572 /nfs/dbraw/zinc/46/15/72/1315461572.db2.gz ZVIPDBSEJOWCIS-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209882 1315461578 /nfs/dbraw/zinc/46/15/78/1315461578.db2.gz ZVIPDBSEJOWCIS-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C[C@](C)(O)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001252552192 1315466848 /nfs/dbraw/zinc/46/68/48/1315466848.db2.gz HQTFTIHCZWMKRU-UXHICEINSA-N 1 3 344.499 2.679 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182495 1315589988 /nfs/dbraw/zinc/58/99/88/1315589988.db2.gz PBURGQDMGQHXBE-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182495 1315589991 /nfs/dbraw/zinc/58/99/91/1315589991.db2.gz PBURGQDMGQHXBE-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039183135 1315591483 /nfs/dbraw/zinc/59/14/83/1315591483.db2.gz WSGCRRLZGJFNDF-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039183135 1315591486 /nfs/dbraw/zinc/59/14/86/1315591486.db2.gz WSGCRRLZGJFNDF-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234160 1315657188 /nfs/dbraw/zinc/65/71/88/1315657188.db2.gz PRCWGAXSIYMTPM-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039234160 1315657190 /nfs/dbraw/zinc/65/71/90/1315657190.db2.gz PRCWGAXSIYMTPM-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235510 1315659761 /nfs/dbraw/zinc/65/97/61/1315659761.db2.gz XZMHZBNXGWHYDQ-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235510 1315659764 /nfs/dbraw/zinc/65/97/64/1315659764.db2.gz XZMHZBNXGWHYDQ-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO N#CC[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038660 1315667862 /nfs/dbraw/zinc/66/78/62/1315667862.db2.gz MUHCDXCTUWMESL-IBGZPJMESA-N 1 3 327.472 2.639 20 30 EFEDHO N#CC[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038660 1315667864 /nfs/dbraw/zinc/66/78/64/1315667864.db2.gz MUHCDXCTUWMESL-IBGZPJMESA-N 1 3 327.472 2.639 20 30 EFEDHO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)(C)C1 ZINC001039297806 1315706857 /nfs/dbraw/zinc/70/68/57/1315706857.db2.gz ARVXSVBCXODCDQ-AYHJJNSGSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001039298227 1315707263 /nfs/dbraw/zinc/70/72/63/1315707263.db2.gz QLNVNKYCUXFVIQ-LNRIEFBSSA-N 1 3 339.911 2.582 20 30 EFEDHO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCCN(C)CC1)CC2 ZINC001254516202 1315713361 /nfs/dbraw/zinc/71/33/61/1315713361.db2.gz KGVJNEKMDZTZEX-GOSISDBHSA-N 1 3 349.519 2.971 20 30 EFEDHO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@H]1CC[C@H](C#N)C1 ZINC001254646888 1315734574 /nfs/dbraw/zinc/73/45/74/1315734574.db2.gz PSEDQFTUQBRKBD-HOTGVXAUSA-N 1 3 338.496 2.505 20 30 EFEDHO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@H]1CC[C@H](C#N)C1 ZINC001254646888 1315734577 /nfs/dbraw/zinc/73/45/77/1315734577.db2.gz PSEDQFTUQBRKBD-HOTGVXAUSA-N 1 3 338.496 2.505 20 30 EFEDHO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@@H]1CC[C@@H](C#N)C1 ZINC001254646889 1315734970 /nfs/dbraw/zinc/73/49/70/1315734970.db2.gz PSEDQFTUQBRKBD-HZPDHXFCSA-N 1 3 338.496 2.505 20 30 EFEDHO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCN[C@@H]1CC[C@@H](C#N)C1 ZINC001254646889 1315734972 /nfs/dbraw/zinc/73/49/72/1315734972.db2.gz PSEDQFTUQBRKBD-HZPDHXFCSA-N 1 3 338.496 2.505 20 30 EFEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048846 1315740914 /nfs/dbraw/zinc/74/09/14/1315740914.db2.gz ORERTOZCLUBOBG-NLWGTHIKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001050048846 1315740915 /nfs/dbraw/zinc/74/09/15/1315740915.db2.gz ORERTOZCLUBOBG-NLWGTHIKSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCCCC1 ZINC001039447812 1315797623 /nfs/dbraw/zinc/79/76/23/1315797623.db2.gz KYXUEVYUNHLWJG-QRVBRYPASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCCCC1 ZINC001039447812 1315797625 /nfs/dbraw/zinc/79/76/25/1315797625.db2.gz KYXUEVYUNHLWJG-QRVBRYPASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3CCC)cccc2C1 ZINC001051290005 1315843831 /nfs/dbraw/zinc/84/38/31/1315843831.db2.gz QGJPNFSLXXMMOL-FQEVSTJZSA-N 1 3 341.499 2.721 20 30 EFEDHO C=CCN1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)cccc2C1 ZINC001051290005 1315843833 /nfs/dbraw/zinc/84/38/33/1315843833.db2.gz QGJPNFSLXXMMOL-FQEVSTJZSA-N 1 3 341.499 2.721 20 30 EFEDHO C=CCN1CCc2c(CNC(=O)[C@H]3CCC[N@H+]3CCC)cccc2C1 ZINC001051290006 1315843862 /nfs/dbraw/zinc/84/38/62/1315843862.db2.gz QGJPNFSLXXMMOL-HXUWFJFHSA-N 1 3 341.499 2.721 20 30 EFEDHO C=CCN1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cccc2C1 ZINC001051290006 1315843864 /nfs/dbraw/zinc/84/38/64/1315843864.db2.gz QGJPNFSLXXMMOL-HXUWFJFHSA-N 1 3 341.499 2.721 20 30 EFEDHO C=CCN(CC=C)CCN1CCN(C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256576905 1315963257 /nfs/dbraw/zinc/96/32/57/1315963257.db2.gz VHTSRFGQAYDQHQ-UHFFFAOYSA-N 1 3 348.579 2.541 20 30 EFEDHO N#Cc1ccccc1OCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683956 1315981535 /nfs/dbraw/zinc/98/15/35/1315981535.db2.gz JCFGXYJGIPLVFE-UHFFFAOYSA-N 1 3 343.471 2.560 20 30 EFEDHO N#Cc1ccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256861123 1316000554 /nfs/dbraw/zinc/00/05/54/1316000554.db2.gz PHGCAOXZEPMMNL-UHFFFAOYSA-N 1 3 347.466 2.744 20 30 EFEDHO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014119 1316110406 /nfs/dbraw/zinc/11/04/06/1316110406.db2.gz CJOXUBICOOJFDK-WOJBJXKFSA-N 1 3 336.520 2.933 20 30 EFEDHO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCN(CC(C)C)CC1)C2 ZINC001258014119 1316110407 /nfs/dbraw/zinc/11/04/07/1316110407.db2.gz CJOXUBICOOJFDK-WOJBJXKFSA-N 1 3 336.520 2.933 20 30 EFEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433248 1316263532 /nfs/dbraw/zinc/26/35/32/1316263532.db2.gz VCCJJENGBATMEM-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040543286 1316315186 /nfs/dbraw/zinc/31/51/86/1316315186.db2.gz NNGAJKNSBVNCDW-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040543286 1316315189 /nfs/dbraw/zinc/31/51/89/1316315189.db2.gz NNGAJKNSBVNCDW-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040848255 1316389071 /nfs/dbraw/zinc/38/90/71/1316389071.db2.gz GYIGCGOUYUMQET-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286617 1316503550 /nfs/dbraw/zinc/50/35/50/1316503550.db2.gz LSBNBPPBSARMHT-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041286617 1316503552 /nfs/dbraw/zinc/50/35/52/1316503552.db2.gz LSBNBPPBSARMHT-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041667407 1316642091 /nfs/dbraw/zinc/64/20/91/1316642091.db2.gz DLRRJNLLJZEJCW-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041667407 1316642095 /nfs/dbraw/zinc/64/20/95/1316642095.db2.gz DLRRJNLLJZEJCW-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757215 1316683546 /nfs/dbraw/zinc/68/35/46/1316683546.db2.gz QYTWUTDLDSNSHV-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757215 1316683548 /nfs/dbraw/zinc/68/35/48/1316683548.db2.gz QYTWUTDLDSNSHV-FQEVSTJZSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844581 1316730523 /nfs/dbraw/zinc/73/05/23/1316730523.db2.gz LLGQPMZEJCYCAR-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844581 1316730526 /nfs/dbraw/zinc/73/05/26/1316730526.db2.gz LLGQPMZEJCYCAR-NRFANRHFSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062889 1316852786 /nfs/dbraw/zinc/85/27/86/1316852786.db2.gz PCJJOGMYQNGHTN-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062889 1316852788 /nfs/dbraw/zinc/85/27/88/1316852788.db2.gz PCJJOGMYQNGHTN-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062761 1316852941 /nfs/dbraw/zinc/85/29/41/1316852941.db2.gz OPPSJOKOMUDXAF-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062761 1316852943 /nfs/dbraw/zinc/85/29/43/1316852943.db2.gz OPPSJOKOMUDXAF-ROUUACIJSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122639 1316894195 /nfs/dbraw/zinc/89/41/95/1316894195.db2.gz ACPWCVRWUNDVJU-AEFFLSMTSA-N 1 3 333.520 2.748 20 30 EFEDHO C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042122639 1316894199 /nfs/dbraw/zinc/89/41/99/1316894199.db2.gz ACPWCVRWUNDVJU-AEFFLSMTSA-N 1 3 333.520 2.748 20 30 EFEDHO CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125501 1316896988 /nfs/dbraw/zinc/89/69/88/1316896988.db2.gz UZYNDCSGNXVXRB-HKUYNNGSSA-N 1 3 345.531 2.586 20 30 EFEDHO CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125501 1316896990 /nfs/dbraw/zinc/89/69/90/1316896990.db2.gz UZYNDCSGNXVXRB-HKUYNNGSSA-N 1 3 345.531 2.586 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186185 1316939921 /nfs/dbraw/zinc/93/99/21/1316939921.db2.gz DRYMYKSFZBRYNY-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186185 1316939925 /nfs/dbraw/zinc/93/99/25/1316939925.db2.gz DRYMYKSFZBRYNY-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042315025 1317138204 /nfs/dbraw/zinc/13/82/04/1317138204.db2.gz YRAVAEOOMNNAEN-HZPDHXFCSA-N 1 3 330.476 2.576 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042315025 1317138205 /nfs/dbraw/zinc/13/82/05/1317138205.db2.gz YRAVAEOOMNNAEN-HZPDHXFCSA-N 1 3 330.476 2.576 20 30 EFEDHO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042363985 1317216957 /nfs/dbraw/zinc/21/69/57/1317216957.db2.gz BBLYKUCOBPVDMC-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042363985 1317216965 /nfs/dbraw/zinc/21/69/65/1317216965.db2.gz BBLYKUCOBPVDMC-ICSRJNTNSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368125 1317223192 /nfs/dbraw/zinc/22/31/92/1317223192.db2.gz ODHCINKOBPYDJU-PXNSSMCTSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368125 1317223200 /nfs/dbraw/zinc/22/32/00/1317223200.db2.gz ODHCINKOBPYDJU-PXNSSMCTSA-N 1 3 341.499 2.861 20 30 EFEDHO Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2cccc(N)c2)cc1C#N ZINC001279700315 1317366191 /nfs/dbraw/zinc/36/61/91/1317366191.db2.gz ZDXYRQBQGGZTQF-IHWFROFDSA-N 1 3 349.482 2.764 20 30 EFEDHO CCCCCCCC[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001340296906 1332169419 /nfs/dbraw/zinc/16/94/19/1332169419.db2.gz KOGQBZQXNGVTQY-QWHCGFSZSA-N 1 3 338.521 2.976 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616451 1332271494 /nfs/dbraw/zinc/27/14/94/1332271494.db2.gz YTTUIMMSEKGXRG-WDSOQIARSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001341616451 1332271497 /nfs/dbraw/zinc/27/14/97/1332271497.db2.gz YTTUIMMSEKGXRG-WDSOQIARSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001344584736 1332464745 /nfs/dbraw/zinc/46/47/45/1332464745.db2.gz VEJMRIJZNOSEPG-XUVXKRRUSA-N 1 3 341.499 2.651 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001344584736 1332464748 /nfs/dbraw/zinc/46/47/48/1332464748.db2.gz VEJMRIJZNOSEPG-XUVXKRRUSA-N 1 3 341.499 2.651 20 30 EFEDHO CC(C)C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972229 1332891084 /nfs/dbraw/zinc/89/10/84/1332891084.db2.gz IAIIUQDJIRUWKI-GOSISDBHSA-N 1 3 342.487 2.844 20 30 EFEDHO CC(C)C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001348972229 1332891089 /nfs/dbraw/zinc/89/10/89/1332891089.db2.gz IAIIUQDJIRUWKI-GOSISDBHSA-N 1 3 342.487 2.844 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357570790 1335317031 /nfs/dbraw/zinc/31/70/31/1335317031.db2.gz OZFKADNGEMVWAX-WDSOQIARSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357570790 1335317034 /nfs/dbraw/zinc/31/70/34/1335317034.db2.gz OZFKADNGEMVWAX-WDSOQIARSA-N 1 3 329.488 2.697 20 30 EFEDHO COC1CCN(C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)CC1 ZINC000849101984 1335551837 /nfs/dbraw/zinc/55/18/37/1335551837.db2.gz HLEFHNGWBXFFSZ-UHFFFAOYSA-N 1 3 346.519 2.583 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001375174549 1342490282 /nfs/dbraw/zinc/49/02/82/1342490282.db2.gz FVFTYYPHCMTLML-HOTGVXAUSA-N 1 3 343.943 2.981 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001376954844 1343984613 /nfs/dbraw/zinc/98/46/13/1343984613.db2.gz JYAQHKAILYEIME-INIZCTEOSA-N 1 3 335.879 2.552 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001379167885 1345638394 /nfs/dbraw/zinc/63/83/94/1345638394.db2.gz KFPWMFQOEVYMAW-CABCVRRESA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(NC(=O)CN(C)CCC)CCCC[C@H]1C ZINC001391808385 1355551173 /nfs/dbraw/zinc/55/11/73/1355551173.db2.gz LFITXYCIFCKUTI-RHSMWYFYSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001397142682 1359702374 /nfs/dbraw/zinc/70/23/74/1359702374.db2.gz YHBWWVAUFJLKRX-BRWVUGGUSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001407174327 1368541827 /nfs/dbraw/zinc/54/18/27/1368541827.db2.gz QWPAHXHMWJNMDN-CVEARBPZSA-N 1 3 329.916 2.590 20 30 EFEDHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001422996267 1381179270 /nfs/dbraw/zinc/17/92/70/1381179270.db2.gz HHHGAFLOSDMULY-HNNXBMFYSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001422996267 1381179280 /nfs/dbraw/zinc/17/92/80/1381179280.db2.gz HHHGAFLOSDMULY-HNNXBMFYSA-N 1 3 329.916 2.543 20 30 EFEDHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001497213694 1401222300 /nfs/dbraw/zinc/22/23/00/1401222300.db2.gz DOAUSKTWJGJBMX-MAUKXSAKSA-N 1 3 349.906 2.516 20 30 EFEDHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001505416535 1404576436 /nfs/dbraw/zinc/57/64/36/1404576436.db2.gz NCRIYYUFTGSESH-GUDVDZBRSA-N 1 3 329.488 2.521 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969679598 713214359 /nfs/dbraw/zinc/21/43/59/713214359.db2.gz HAJHYDBRRAJEIF-IRXDYDNUSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969679598 713214361 /nfs/dbraw/zinc/21/43/61/713214361.db2.gz HAJHYDBRRAJEIF-IRXDYDNUSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970325999 713636142 /nfs/dbraw/zinc/63/61/42/713636142.db2.gz LWQXDMSEVXYMOU-QFBILLFUSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970325999 713636145 /nfs/dbraw/zinc/63/61/45/713636145.db2.gz LWQXDMSEVXYMOU-QFBILLFUSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173505 713703577 /nfs/dbraw/zinc/70/35/77/713703577.db2.gz XZQAGAVNIPWCAW-LJQANCHMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173505 713703579 /nfs/dbraw/zinc/70/35/79/713703579.db2.gz XZQAGAVNIPWCAW-LJQANCHMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604039 714164844 /nfs/dbraw/zinc/16/48/44/714164844.db2.gz AFJSPBKQYANXCF-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604039 714164848 /nfs/dbraw/zinc/16/48/48/714164848.db2.gz AFJSPBKQYANXCF-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024569501 717960966 /nfs/dbraw/zinc/96/09/66/717960966.db2.gz CSJPIXPZMQENCA-LJQANCHMSA-N 1 3 343.515 2.951 20 30 EFEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)N(C)C ZINC001039281515 714249934 /nfs/dbraw/zinc/24/99/34/714249934.db2.gz ROGJNCKBIDQCLJ-HMQMGEFJSA-N 1 3 341.927 2.827 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669942 714271746 /nfs/dbraw/zinc/27/17/46/714271746.db2.gz IPXYXTSLJJMWIO-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021669942 714271747 /nfs/dbraw/zinc/27/17/47/714271747.db2.gz IPXYXTSLJJMWIO-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671917 714275543 /nfs/dbraw/zinc/27/55/43/714275543.db2.gz XHFJZHZQESQBAS-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671917 714275544 /nfs/dbraw/zinc/27/55/44/714275544.db2.gz XHFJZHZQESQBAS-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C#CCCN1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947185 715369823 /nfs/dbraw/zinc/36/98/23/715369823.db2.gz NRAZBWQICYSRHZ-OALUTQOASA-N 1 3 345.531 2.633 20 30 EFEDHO C#CCCN1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974947185 715369829 /nfs/dbraw/zinc/36/98/29/715369829.db2.gz NRAZBWQICYSRHZ-OALUTQOASA-N 1 3 345.531 2.633 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C(F)(F)F)cc1 ZINC000303712244 724417482 /nfs/dbraw/zinc/41/74/82/724417482.db2.gz PVEBGLDNSUJEFG-OAHLLOKOSA-N 1 3 342.409 2.637 20 30 EFEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553259 716618158 /nfs/dbraw/zinc/61/81/58/716618158.db2.gz YKRYGWCDRFQAGX-QUCCMNQESA-N 1 3 345.531 2.635 20 30 EFEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023553259 716618161 /nfs/dbraw/zinc/61/81/61/716618161.db2.gz YKRYGWCDRFQAGX-QUCCMNQESA-N 1 3 345.531 2.635 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761512 716974636 /nfs/dbraw/zinc/97/46/36/716974636.db2.gz BNWPNGXIEUBZIQ-SFHVURJKSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761512 716974638 /nfs/dbraw/zinc/97/46/38/716974638.db2.gz BNWPNGXIEUBZIQ-SFHVURJKSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885585 717832431 /nfs/dbraw/zinc/83/24/31/717832431.db2.gz HKOVTUUONBSTAT-HKUYNNGSSA-N 1 3 333.520 2.798 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885585 717832434 /nfs/dbraw/zinc/83/24/34/717832434.db2.gz HKOVTUUONBSTAT-HKUYNNGSSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260708 718488596 /nfs/dbraw/zinc/48/85/96/718488596.db2.gz YWJBBGAZVWISGM-MOPGFXCFSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025260708 718488598 /nfs/dbraw/zinc/48/85/98/718488598.db2.gz YWJBBGAZVWISGM-MOPGFXCFSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025289361 718527981 /nfs/dbraw/zinc/52/79/81/718527981.db2.gz ZHBZGZKEJZCNDK-UXHICEINSA-N 1 3 345.531 2.586 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292489 719822765 /nfs/dbraw/zinc/82/27/65/719822765.db2.gz LTEOXFNFOJDHOG-YSIASYRMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292489 719822770 /nfs/dbraw/zinc/82/27/70/719822770.db2.gz LTEOXFNFOJDHOG-YSIASYRMSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297891 719845477 /nfs/dbraw/zinc/84/54/77/719845477.db2.gz RSOMTCAHOXUJLU-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297891 719845480 /nfs/dbraw/zinc/84/54/80/719845480.db2.gz RSOMTCAHOXUJLU-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001026427871 720559963 /nfs/dbraw/zinc/55/99/63/720559963.db2.gz VHZZDRSICGNLGQ-XUVXKRRUSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001026427869 720560108 /nfs/dbraw/zinc/56/01/08/720560108.db2.gz VHZZDRSICGNLGQ-SLFFLAALSA-N 1 3 341.499 2.765 20 30 EFEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623391 720958901 /nfs/dbraw/zinc/95/89/01/720958901.db2.gz GUGVEZSFSSIFNO-YSIASYRMSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623391 720958903 /nfs/dbraw/zinc/95/89/03/720958903.db2.gz GUGVEZSFSSIFNO-YSIASYRMSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677662 721270633 /nfs/dbraw/zinc/27/06/33/721270633.db2.gz FTWUFXFRTGOPQD-ZWKOTPCHSA-N 1 3 333.520 2.796 20 30 EFEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974677662 721270637 /nfs/dbraw/zinc/27/06/37/721270637.db2.gz FTWUFXFRTGOPQD-ZWKOTPCHSA-N 1 3 333.520 2.796 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982830845 721301867 /nfs/dbraw/zinc/30/18/67/721301867.db2.gz BCBFCAHOEVPXJB-LFGUQSLTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982830845 721301871 /nfs/dbraw/zinc/30/18/71/721301871.db2.gz BCBFCAHOEVPXJB-LFGUQSLTSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645671 724750234 /nfs/dbraw/zinc/75/02/34/724750234.db2.gz BLGPDESOTFTUNN-IBGZPJMESA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645671 724750235 /nfs/dbraw/zinc/75/02/35/724750235.db2.gz BLGPDESOTFTUNN-IBGZPJMESA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000340 722616708 /nfs/dbraw/zinc/61/67/08/722616708.db2.gz BOMBQFLSXZKSRD-QGZVFWFLSA-N 1 3 329.488 2.766 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000340 722616710 /nfs/dbraw/zinc/61/67/10/722616710.db2.gz BOMBQFLSXZKSRD-QGZVFWFLSA-N 1 3 329.488 2.766 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009018 725459893 /nfs/dbraw/zinc/45/98/93/725459893.db2.gz FIOLDUJAUATEAY-NLWGTHIKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009018 725459895 /nfs/dbraw/zinc/45/98/95/725459895.db2.gz FIOLDUJAUATEAY-NLWGTHIKSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CCN1CC[C@]2(NC(=O)c3ccc(CC[NH+](C)C)cc3)CCC[C@H]12 ZINC000992171904 725587083 /nfs/dbraw/zinc/58/70/83/725587083.db2.gz ZCYXUBPROCQXJC-PZJWPPBQSA-N 1 3 341.499 2.704 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992929050 726344695 /nfs/dbraw/zinc/34/46/95/726344695.db2.gz DPQVKIGZOHMYHB-DFQSSKMNSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993630190 727348295 /nfs/dbraw/zinc/34/82/95/727348295.db2.gz KNSXLVKKULWFSV-PXNSSMCTSA-N 1 3 343.515 2.950 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001040951082 728360142 /nfs/dbraw/zinc/36/01/42/728360142.db2.gz DEVVXWQEEPYFJC-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948887300 728630435 /nfs/dbraw/zinc/63/04/35/728630435.db2.gz WYKBWNKRAUHFCV-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 ZINC000948887300 728630437 /nfs/dbraw/zinc/63/04/37/728630437.db2.gz WYKBWNKRAUHFCV-LJQANCHMSA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(Cl)CN[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000939806960 729130069 /nfs/dbraw/zinc/13/00/69/729130069.db2.gz PWHFUZUAOVQTBH-SUMWQHHRSA-N 1 3 335.879 2.551 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001574902022 1088144539 /nfs/dbraw/zinc/14/45/39/1088144539.db2.gz ZDEPVUHIQVSMBJ-MOPGFXCFSA-N 1 3 329.488 2.793 20 30 EFEDHO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](N)CCCCC#N ZINC001579691841 1090663224 /nfs/dbraw/zinc/66/32/24/1090663224.db2.gz JHYKKRUOZQMBJT-QGZVFWFLSA-N 1 3 328.460 2.941 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448071 1092755448 /nfs/dbraw/zinc/75/54/48/1092755448.db2.gz NCWKKLDOJILZKH-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448071 1092755462 /nfs/dbraw/zinc/75/54/62/1092755462.db2.gz NCWKKLDOJILZKH-AZUAARDMSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454146 1093042707 /nfs/dbraw/zinc/04/27/07/1093042707.db2.gz MBULYVSYJFHCDO-PXNSSMCTSA-N 1 3 347.547 2.853 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454146 1093042714 /nfs/dbraw/zinc/04/27/14/1093042714.db2.gz MBULYVSYJFHCDO-PXNSSMCTSA-N 1 3 347.547 2.853 20 30 EFEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458874 1093237073 /nfs/dbraw/zinc/23/70/73/1093237073.db2.gz RPNDMYBNUDDOMH-UYAOXDASSA-N 1 3 347.547 2.547 20 30 EFEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458874 1093237079 /nfs/dbraw/zinc/23/70/79/1093237079.db2.gz RPNDMYBNUDDOMH-UYAOXDASSA-N 1 3 347.547 2.547 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461922 1093335394 /nfs/dbraw/zinc/33/53/94/1093335394.db2.gz WTZCBOWNLCCILY-IBGZPJMESA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461922 1093335402 /nfs/dbraw/zinc/33/54/02/1093335402.db2.gz WTZCBOWNLCCILY-IBGZPJMESA-N 1 3 347.547 2.999 20 30 EFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001211623329 1094391527 /nfs/dbraw/zinc/39/15/27/1094391527.db2.gz BAYXRBDTAUHCGP-XUVXKRRUSA-N 1 3 343.515 2.877 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529926 1094765405 /nfs/dbraw/zinc/76/54/05/1094765405.db2.gz VUJZONRLGMRXIN-BJLQDIEVSA-N 1 3 333.520 2.513 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203421012 1095119037 /nfs/dbraw/zinc/11/90/37/1095119037.db2.gz YSTNHPOYDSPNCW-CABCVRRESA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316935 1095301909 /nfs/dbraw/zinc/30/19/09/1095301909.db2.gz ZOEIWHIAHUGFQQ-LZQZEXGQSA-N 1 3 344.503 2.832 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316935 1095301924 /nfs/dbraw/zinc/30/19/24/1095301924.db2.gz ZOEIWHIAHUGFQQ-LZQZEXGQSA-N 1 3 344.503 2.832 20 30 EFEDHO N#Cc1c(Cl)cc(Br)cc1NC(=N)NCCCC[NH3+] ZINC001167878961 1096132854 /nfs/dbraw/zinc/13/28/54/1096132854.db2.gz PTXBFLDCHXTLHE-UHFFFAOYSA-N 1 3 344.644 2.649 20 30 EFEDHO C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524218 1099231635 /nfs/dbraw/zinc/23/16/35/1099231635.db2.gz BPNICVVAHHFIGM-NSHGMRRFSA-N 1 3 335.536 2.757 20 30 EFEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105067190 1099542025 /nfs/dbraw/zinc/54/20/25/1099542025.db2.gz QZPSAVWVLYPYEM-GUDVDZBRSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001105067191 1099542590 /nfs/dbraw/zinc/54/25/90/1099542590.db2.gz QZPSAVWVLYPYEM-QRVBRYPASA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673576 1099632729 /nfs/dbraw/zinc/63/27/29/1099632729.db2.gz QRDFXIOCHVRNMW-YSIASYRMSA-N 1 3 341.499 2.631 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396824 1100611022 /nfs/dbraw/zinc/61/10/22/1100611022.db2.gz WYICBFMDNBPKMJ-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396824 1100611024 /nfs/dbraw/zinc/61/10/24/1100611024.db2.gz WYICBFMDNBPKMJ-FQEVSTJZSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396825 1100611263 /nfs/dbraw/zinc/61/12/63/1100611263.db2.gz WYICBFMDNBPKMJ-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396825 1100611268 /nfs/dbraw/zinc/61/12/68/1100611268.db2.gz WYICBFMDNBPKMJ-HXUWFJFHSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087698404 1100677621 /nfs/dbraw/zinc/67/76/21/1100677621.db2.gz VYBRYELYPXTEBE-OTWHNJEPSA-N 1 3 333.520 2.939 20 30 EFEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087698404 1100677623 /nfs/dbraw/zinc/67/76/23/1100677623.db2.gz VYBRYELYPXTEBE-OTWHNJEPSA-N 1 3 333.520 2.939 20 30 EFEDHO C#CCOCCOCCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168031525 1100935092 /nfs/dbraw/zinc/93/50/92/1100935092.db2.gz ZPSYHDASXNKDRS-RTBURBONSA-N 1 3 344.499 2.684 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039128330 1102046830 /nfs/dbraw/zinc/04/68/30/1102046830.db2.gz WKYXVBXYJFAGJC-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039128330 1102046844 /nfs/dbraw/zinc/04/68/44/1102046844.db2.gz WKYXVBXYJFAGJC-RTBURBONSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232736 1102101032 /nfs/dbraw/zinc/10/10/32/1102101032.db2.gz OMLWHFAGUBAFNJ-GOSISDBHSA-N 1 3 335.536 2.951 20 30 EFEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001167476823 1102230093 /nfs/dbraw/zinc/23/00/93/1102230093.db2.gz OVAVVPNPZMFUHL-INIZCTEOSA-N 1 3 343.943 2.981 20 30 EFEDHO C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001088430001 1103575458 /nfs/dbraw/zinc/57/54/58/1103575458.db2.gz FWVAOKYJOUJNIP-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)CCC)C1 ZINC001105446332 1104205583 /nfs/dbraw/zinc/20/55/83/1104205583.db2.gz HHGXNIACQTYYKJ-TYKWCNGQSA-N 1 3 343.515 2.711 20 30 EFEDHO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105542591 1105900792 /nfs/dbraw/zinc/90/07/92/1105900792.db2.gz YEVMBGBDZVGEAO-IBGZPJMESA-N 1 3 345.531 2.635 20 30 EFEDHO C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105565823 1105954776 /nfs/dbraw/zinc/95/47/76/1105954776.db2.gz BSHWMOQLDOTIJF-QGZVFWFLSA-N 1 3 330.476 2.669 20 30 EFEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302340 1106436853 /nfs/dbraw/zinc/43/68/53/1106436853.db2.gz ONAGMHVBTJPTTC-UHFFFAOYSA-N 1 3 349.906 2.990 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+][C@@H](C)CCC=C)CC2)CC1 ZINC001168308436 1106528384 /nfs/dbraw/zinc/52/83/84/1106528384.db2.gz REYHKLHKSCXCQU-SFHVURJKSA-N 1 3 345.531 2.562 20 30 EFEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076244724 1109727699 /nfs/dbraw/zinc/72/76/99/1109727699.db2.gz WOWYWYXLBHYOBS-VQTJNVASSA-N 1 3 341.499 2.513 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323792 1109767193 /nfs/dbraw/zinc/76/71/93/1109767193.db2.gz GWCLRBZDDCXTNQ-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076323792 1109767197 /nfs/dbraw/zinc/76/71/97/1109767197.db2.gz GWCLRBZDDCXTNQ-GBESFXJTSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229250 1111563767 /nfs/dbraw/zinc/56/37/67/1111563767.db2.gz ICMLIISLKLXSAO-MSOLQXFVSA-N 1 3 335.536 2.737 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106730556 1111775609 /nfs/dbraw/zinc/77/56/09/1111775609.db2.gz FAQGZEPJYGPOCD-OIISXLGYSA-N 1 3 341.927 2.686 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)CC(C)(C)C2)CC1 ZINC001089560768 1112309333 /nfs/dbraw/zinc/30/93/33/1112309333.db2.gz GWZKDCXEAORKGX-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)CC(C)(C)C2)CC1 ZINC001089560768 1112309339 /nfs/dbraw/zinc/30/93/39/1112309339.db2.gz GWZKDCXEAORKGX-LJQANCHMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561167 1112310266 /nfs/dbraw/zinc/31/02/66/1112310266.db2.gz NRFFDNLXGVZKBY-IBGZPJMESA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)CC(C)(C)C2)CC1 ZINC001089561167 1112310271 /nfs/dbraw/zinc/31/02/71/1112310271.db2.gz NRFFDNLXGVZKBY-IBGZPJMESA-N 1 3 347.547 2.594 20 30 EFEDHO C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565631 1112318055 /nfs/dbraw/zinc/31/80/55/1112318055.db2.gz UYQKNXPUGFSHGK-SFHVURJKSA-N 1 3 341.499 2.602 20 30 EFEDHO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565631 1112318058 /nfs/dbraw/zinc/31/80/58/1112318058.db2.gz UYQKNXPUGFSHGK-SFHVURJKSA-N 1 3 341.499 2.602 20 30 EFEDHO C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664894 1112618350 /nfs/dbraw/zinc/61/83/50/1112618350.db2.gz QBEVKHGYSMJOQR-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106908016 1112867981 /nfs/dbraw/zinc/86/79/81/1112867981.db2.gz MAEKNMXUGIUPIL-QZTJIDSGSA-N 1 3 325.541 2.983 20 30 EFEDHO C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089806633 1113060698 /nfs/dbraw/zinc/06/06/98/1113060698.db2.gz RIPNZEHWZDPTAV-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089806633 1113060701 /nfs/dbraw/zinc/06/07/01/1113060701.db2.gz RIPNZEHWZDPTAV-RDGPPVDQSA-N 1 3 345.531 2.606 20 30 EFEDHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001272691768 1117784291 /nfs/dbraw/zinc/78/42/91/1117784291.db2.gz NMCYAEAHRPZQLA-APWZRJJASA-N 1 3 329.488 2.563 20 30 EFEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845165 1118241349 /nfs/dbraw/zinc/24/13/49/1118241349.db2.gz DCBUILSMDYTHBU-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845165 1118241350 /nfs/dbraw/zinc/24/13/50/1118241350.db2.gz DCBUILSMDYTHBU-OKYOBFRVSA-N 1 3 345.531 2.606 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029124 1120520944 /nfs/dbraw/zinc/52/09/44/1120520944.db2.gz QQMDVHAQGOUGQA-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029124 1120520945 /nfs/dbraw/zinc/52/09/45/1120520945.db2.gz QQMDVHAQGOUGQA-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945089880 1120560358 /nfs/dbraw/zinc/56/03/58/1120560358.db2.gz IRJVJIJWIMNDJX-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945089880 1120560362 /nfs/dbraw/zinc/56/03/62/1120560362.db2.gz IRJVJIJWIMNDJX-APWZRJJASA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180109 1120648964 /nfs/dbraw/zinc/64/89/64/1120648964.db2.gz KOIGVJIHCICAFQ-HKUYNNGSSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C[C@@H]2C)CC1 ZINC000945180109 1120648965 /nfs/dbraw/zinc/64/89/65/1120648965.db2.gz KOIGVJIHCICAFQ-HKUYNNGSSA-N 1 3 347.547 2.594 20 30 EFEDHO CN(C)CC(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181387251 234171170 /nfs/dbraw/zinc/17/11/70/234171170.db2.gz HLJZLDXLNBVJSI-UHFFFAOYSA-N 1 3 328.504 2.700 20 30 EFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181859797 234356876 /nfs/dbraw/zinc/35/68/76/234356876.db2.gz VSURJESLWGEGBG-RTWAWAEBSA-N 1 3 340.515 2.985 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3CN)C2)c(F)c1 ZINC000422972903 283159955 /nfs/dbraw/zinc/15/99/55/283159955.db2.gz AVUJIUMBPKSWDX-XYJFISCASA-N 1 3 330.451 2.773 20 30 EFEDHO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCC[C@H]3C[NH3+])C2)c(F)c1 ZINC000422972903 283159956 /nfs/dbraw/zinc/15/99/56/283159956.db2.gz AVUJIUMBPKSWDX-XYJFISCASA-N 1 3 330.451 2.773 20 30 EFEDHO CN1CC=C(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000262358557 240349715 /nfs/dbraw/zinc/34/97/15/240349715.db2.gz ICOKQKINKQMJID-UHFFFAOYSA-N 1 3 328.338 2.574 20 30 EFEDHO C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000262428717 240350852 /nfs/dbraw/zinc/35/08/52/240350852.db2.gz SCTKZVAZPLHCMZ-SLFFLAALSA-N 1 3 340.515 2.753 20 30 EFEDHO CC/[NH+]=C(/N(C)C)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000262483524 240355865 /nfs/dbraw/zinc/35/58/65/240355865.db2.gz SBAYHOUULVGOAT-LCPUNJGISA-N 1 3 328.504 2.912 20 30 EFEDHO C[NH+]=C(NCc1c(C)noc1C)NCC1(N(C)C)CCCCCC1 ZINC000261977947 240335263 /nfs/dbraw/zinc/33/52/63/240335263.db2.gz QXKNSTUGVAKHOF-UHFFFAOYSA-N 1 3 335.496 2.611 20 30 EFEDHO Cc1ncsc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000262023925 240342813 /nfs/dbraw/zinc/34/28/13/240342813.db2.gz YWICVBSHGJACLJ-UHFFFAOYSA-N 1 3 343.500 2.520 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358161391 242114534 /nfs/dbraw/zinc/11/45/34/242114534.db2.gz XKWIXNVRQXFCAE-IRXDYDNUSA-N 1 3 336.524 2.589 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358161391 242114538 /nfs/dbraw/zinc/11/45/38/242114538.db2.gz XKWIXNVRQXFCAE-IRXDYDNUSA-N 1 3 336.524 2.589 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000417067440 245003566 /nfs/dbraw/zinc/00/35/66/245003566.db2.gz ROONLZPYFMFBDC-FGTMMUONSA-N 1 3 336.524 2.596 20 30 EFEDHO C=CCN(CC=C)[C@@H](CNCc1cc(C2CC[NH2+]CC2)no1)C(C)C ZINC000425899733 247210419 /nfs/dbraw/zinc/21/04/19/247210419.db2.gz MCDJUHZNYSDXCL-FQEVSTJZSA-N 1 3 346.519 2.930 20 30 EFEDHO CC(C)C[NH+]1CCC(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433344593 248048268 /nfs/dbraw/zinc/04/82/68/248048268.db2.gz SOQRYAOHVLQPDR-SFHVURJKSA-N 1 3 327.472 2.996 20 30 EFEDHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000441350664 250023030 /nfs/dbraw/zinc/02/30/30/250023030.db2.gz CBECQLORRRHUOH-HNNXBMFYSA-N 1 3 334.489 2.755 20 30 EFEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000441350664 250023033 /nfs/dbraw/zinc/02/30/33/250023033.db2.gz CBECQLORRRHUOH-HNNXBMFYSA-N 1 3 334.489 2.755 20 30 EFEDHO N#C[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000442708340 250104035 /nfs/dbraw/zinc/10/40/35/250104035.db2.gz FYQUBVVILRTBKB-NHCUHLMSSA-N 1 3 340.515 2.866 20 30 EFEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442711195 250106245 /nfs/dbraw/zinc/10/62/45/250106245.db2.gz RPTPAWGPWUUQQV-UXHICEINSA-N 1 3 326.488 2.606 20 30 EFEDHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C#N ZINC000443998525 250246785 /nfs/dbraw/zinc/24/67/85/250246785.db2.gz VEVXSNAGTUIANU-NRFANRHFSA-N 1 3 335.451 2.723 20 30 EFEDHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C#N ZINC000443998525 250246788 /nfs/dbraw/zinc/24/67/88/250246788.db2.gz VEVXSNAGTUIANU-NRFANRHFSA-N 1 3 335.451 2.723 20 30 EFEDHO CCN1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000344071645 145361628 /nfs/dbraw/zinc/36/16/28/145361628.db2.gz KIEIFIUJBARHAT-HXUWFJFHSA-N 1 3 340.515 2.844 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(F)c(C#N)c1 ZINC000344155134 145381140 /nfs/dbraw/zinc/38/11/40/145381140.db2.gz JWRQNZLEGMDDNL-UHFFFAOYSA-N 1 3 332.467 2.547 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(F)c(C#N)c1 ZINC000344155134 145381142 /nfs/dbraw/zinc/38/11/42/145381142.db2.gz JWRQNZLEGMDDNL-UHFFFAOYSA-N 1 3 332.467 2.547 20 30 EFEDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@@H](C)c1cccc(C#N)c1 ZINC000344160138 145381589 /nfs/dbraw/zinc/38/15/89/145381589.db2.gz DOKAARNTCPZMNY-SFHVURJKSA-N 1 3 328.504 2.969 20 30 EFEDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@@H](C)c1cccc(C#N)c1 ZINC000344160138 145381592 /nfs/dbraw/zinc/38/15/92/145381592.db2.gz DOKAARNTCPZMNY-SFHVURJKSA-N 1 3 328.504 2.969 20 30 EFEDHO CC(C)N(C)CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271871327 266084138 /nfs/dbraw/zinc/08/41/38/266084138.db2.gz MQSWGBRNGPSKEV-UHFFFAOYSA-N 1 3 328.504 2.843 20 30 EFEDHO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000271852936 268065212 /nfs/dbraw/zinc/06/52/12/268065212.db2.gz IYDHKADTXODADK-SFTDATJTSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852936 268065215 /nfs/dbraw/zinc/06/52/15/268065215.db2.gz IYDHKADTXODADK-SFTDATJTSA-N 1 3 338.499 2.739 20 30 EFEDHO N#Cc1ccc(CN2CCC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000271852936 268065217 /nfs/dbraw/zinc/06/52/17/268065217.db2.gz IYDHKADTXODADK-SFTDATJTSA-N 1 3 338.499 2.739 20 30 EFEDHO CCN1CCN(CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360833958 273663013 /nfs/dbraw/zinc/66/30/13/273663013.db2.gz IBIMUMFKIMMUBS-NRFANRHFSA-N 1 3 340.515 2.943 20 30 EFEDHO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCCC[C@H]1C ZINC000262025036 278218216 /nfs/dbraw/zinc/21/82/16/278218216.db2.gz ZFJXPDUCUXVMIJ-CABCVRRESA-N 1 3 346.475 2.837 20 30 EFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360038 279329958 /nfs/dbraw/zinc/32/99/58/279329958.db2.gz YKOFENPWCLRTIZ-SFHVURJKSA-N 1 3 332.467 2.545 20 30 EFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C#N)c(F)c1 ZINC000421360038 279329959 /nfs/dbraw/zinc/32/99/59/279329959.db2.gz YKOFENPWCLRTIZ-SFHVURJKSA-N 1 3 332.467 2.545 20 30 EFEDHO CN1CCN(CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000567163430 319144481 /nfs/dbraw/zinc/14/44/81/319144481.db2.gz ICNDBIBPMKMPIL-NRFANRHFSA-N 1 3 340.515 2.943 20 30 EFEDHO N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000576911147 320059206 /nfs/dbraw/zinc/05/92/06/320059206.db2.gz IHWABEQNUWKZFB-IRLDBZIGSA-N 1 3 347.462 2.902 20 30 EFEDHO N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000576911147 320059208 /nfs/dbraw/zinc/05/92/08/320059208.db2.gz IHWABEQNUWKZFB-IRLDBZIGSA-N 1 3 347.462 2.902 20 30 EFEDHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000069451248 472346116 /nfs/dbraw/zinc/34/61/16/472346116.db2.gz LAENBUABNKSUGE-IAGOWNOFSA-N 1 3 327.472 2.879 20 30 EFEDHO C#CCCOc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000076763202 472399857 /nfs/dbraw/zinc/39/98/57/472399857.db2.gz WGYWXZWJBYDSEC-LJQANCHMSA-N 1 3 342.483 2.679 20 30 EFEDHO C=C(C)COc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000120073665 472626957 /nfs/dbraw/zinc/62/69/57/472626957.db2.gz QZIVBPVNZTYWSR-UHFFFAOYSA-N 1 3 348.491 2.599 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000079492195 472873862 /nfs/dbraw/zinc/87/38/62/472873862.db2.gz HTPJGJXTQMZLOQ-HXUWFJFHSA-N 1 3 346.515 2.819 20 30 EFEDHO CC[N@@H+]1CC[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000160145738 473091225 /nfs/dbraw/zinc/09/12/25/473091225.db2.gz XKYWBRMJUFHXLM-SUMDDJOVSA-N 1 3 344.478 2.986 20 30 EFEDHO CC[N@H+]1CC[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 ZINC000160145738 473091232 /nfs/dbraw/zinc/09/12/32/473091232.db2.gz XKYWBRMJUFHXLM-SUMDDJOVSA-N 1 3 344.478 2.986 20 30 EFEDHO CC[NH+](CC)CCOC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000075007401 473111907 /nfs/dbraw/zinc/11/19/07/473111907.db2.gz VLJVXFHKGWRCHK-UHFFFAOYSA-N 1 3 345.487 2.760 20 30 EFEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192193951 473646442 /nfs/dbraw/zinc/64/64/42/473646442.db2.gz WNNHFEOYNJHMNA-BEFAXECRSA-N 1 3 333.451 2.924 20 30 EFEDHO C=CCN1CC[C@@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938761 473890889 /nfs/dbraw/zinc/89/08/89/473890889.db2.gz IRKGRXFVIPUXFW-HXUWFJFHSA-N 1 3 341.499 2.617 20 30 EFEDHO C=CCN1CC[C@@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000281938761 473890895 /nfs/dbraw/zinc/89/08/95/473890895.db2.gz IRKGRXFVIPUXFW-HXUWFJFHSA-N 1 3 341.499 2.617 20 30 EFEDHO CCN1CCN(CCCCNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264107121 473950505 /nfs/dbraw/zinc/95/05/05/473950505.db2.gz PXVNYQDCJOMCCP-UHFFFAOYSA-N 1 3 345.535 2.954 20 30 EFEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])Nc2cccc(C(C)C)c2)CC1 ZINC000264117836 473952543 /nfs/dbraw/zinc/95/25/43/473952543.db2.gz TYHYYEWNNJYVJN-QGZVFWFLSA-N 1 3 345.535 2.810 20 30 EFEDHO C=CCN(CC=C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000236679494 474279731 /nfs/dbraw/zinc/27/97/31/474279731.db2.gz WYEZIWUIQTWVAX-XVLXNVKGSA-N 1 3 333.520 2.722 20 30 EFEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189996299 474530972 /nfs/dbraw/zinc/53/09/72/474530972.db2.gz DISSSYZJQNNITI-DNVCBOLYSA-N 1 3 333.451 2.924 20 30 EFEDHO CN1CCC(Oc2ccc(CNC(=[NH2+])NC3CCCCC3)cc2)CC1 ZINC000283957140 474535698 /nfs/dbraw/zinc/53/56/98/474535698.db2.gz KKMSZGKJIIWSOV-UHFFFAOYSA-N 1 3 344.503 2.897 20 30 EFEDHO C=CCCN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000276500102 474565328 /nfs/dbraw/zinc/56/53/28/474565328.db2.gz WCWQASHCCOXLCS-KRWDZBQOSA-N 1 3 329.488 2.664 20 30 EFEDHO C#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000290384619 474569252 /nfs/dbraw/zinc/56/92/52/474569252.db2.gz OFPIAXIGUAKJCC-JOCHJYFZSA-N 1 3 334.463 2.914 20 30 EFEDHO C#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000290384619 474569258 /nfs/dbraw/zinc/56/92/58/474569258.db2.gz OFPIAXIGUAKJCC-JOCHJYFZSA-N 1 3 334.463 2.914 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290563706 474577713 /nfs/dbraw/zinc/57/77/13/474577713.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290563706 474577716 /nfs/dbraw/zinc/57/77/16/474577716.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290563706 474577722 /nfs/dbraw/zinc/57/77/22/474577722.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290563706 474577723 /nfs/dbraw/zinc/57/77/23/474577723.db2.gz SNKGCLHOJRRSLO-AZUAARDMSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290563717 474577802 /nfs/dbraw/zinc/57/78/02/474577802.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290563717 474577804 /nfs/dbraw/zinc/57/78/04/474577804.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290563717 474577806 /nfs/dbraw/zinc/57/78/06/474577806.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 1 3 326.488 2.953 20 30 EFEDHO CN(CCC#N)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290563717 474577809 /nfs/dbraw/zinc/57/78/09/474577809.db2.gz SNKGCLHOJRRSLO-UYAOXDASSA-N 1 3 326.488 2.953 20 30 EFEDHO C[C@@H]1C[N@H+](CCCNCc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746871 474594829 /nfs/dbraw/zinc/59/48/29/474594829.db2.gz KLPGANVMBFCTIJ-GOSISDBHSA-N 1 3 344.503 2.627 20 30 EFEDHO C[C@@H]1C[N@@H+](CCCNCc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000277746871 474594835 /nfs/dbraw/zinc/59/48/35/474594835.db2.gz KLPGANVMBFCTIJ-GOSISDBHSA-N 1 3 344.503 2.627 20 30 EFEDHO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279461740 474976862 /nfs/dbraw/zinc/97/68/62/474976862.db2.gz GTSMOXLEVLHLNK-QFBILLFUSA-N 1 3 340.471 2.867 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000341111042 474984839 /nfs/dbraw/zinc/98/48/39/474984839.db2.gz VRPOSRDFLYFNJA-IBGZPJMESA-N 1 3 348.535 2.591 20 30 EFEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000341111042 474984848 /nfs/dbraw/zinc/98/48/48/474984848.db2.gz VRPOSRDFLYFNJA-IBGZPJMESA-N 1 3 348.535 2.591 20 30 EFEDHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679597 474985558 /nfs/dbraw/zinc/98/55/58/474985558.db2.gz DVUYAEOVPPYCGE-QFBILLFUSA-N 1 3 338.455 2.621 20 30 EFEDHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279679597 474985566 /nfs/dbraw/zinc/98/55/66/474985566.db2.gz DVUYAEOVPPYCGE-QFBILLFUSA-N 1 3 338.455 2.621 20 30 EFEDHO C[NH+](C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000279703406 474988242 /nfs/dbraw/zinc/98/82/42/474988242.db2.gz JWWXGZBTTYZOLS-SFHVURJKSA-N 1 3 338.455 2.621 20 30 EFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286281890 475058860 /nfs/dbraw/zinc/05/88/60/475058860.db2.gz VUNVYGVMSDWOCY-ICSRJNTNSA-N 1 3 326.488 2.989 20 30 EFEDHO C#CCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000268962788 475097776 /nfs/dbraw/zinc/09/77/76/475097776.db2.gz JOEVWJDODWDZNX-SFTDATJTSA-N 1 3 342.483 2.556 20 30 EFEDHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330240708 475216937 /nfs/dbraw/zinc/21/69/37/475216937.db2.gz WBDUFPHXDWJXRE-ATLSCFEFSA-N 1 3 337.508 2.584 20 30 EFEDHO C=CC[N@@H+](CC[C@@H]1CCCN1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055008 475371157 /nfs/dbraw/zinc/37/11/57/475371157.db2.gz XXZDZOJHEVRPDF-AEFFLSMTSA-N 1 3 340.475 2.696 20 30 EFEDHO C=CC[N@H+](CC[C@@H]1CCCN1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000348055008 475371164 /nfs/dbraw/zinc/37/11/64/475371164.db2.gz XXZDZOJHEVRPDF-AEFFLSMTSA-N 1 3 340.475 2.696 20 30 EFEDHO C=CC[NH+]1CCC(NC(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000352873095 475661220 /nfs/dbraw/zinc/66/12/20/475661220.db2.gz HYWYBKWPEKOLOY-WBVHZDCISA-N 1 3 348.491 2.658 20 30 EFEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000352873093 475661400 /nfs/dbraw/zinc/66/14/00/475661400.db2.gz HYWYBKWPEKOLOY-NVXWUHKLSA-N 1 3 348.491 2.658 20 30 EFEDHO C=CCOc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000349333074 475946523 /nfs/dbraw/zinc/94/65/23/475946523.db2.gz PZRDYGQWKJBPBA-GOSISDBHSA-N 1 3 343.515 2.852 20 30 EFEDHO C=CCOc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000349333074 475946530 /nfs/dbraw/zinc/94/65/30/475946530.db2.gz PZRDYGQWKJBPBA-GOSISDBHSA-N 1 3 343.515 2.852 20 30 EFEDHO CC(C#N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000347107167 476099224 /nfs/dbraw/zinc/09/92/24/476099224.db2.gz MNHRCZKEEKFNNA-QGZVFWFLSA-N 1 3 327.472 2.997 20 30 EFEDHO C[C@@H](c1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343891535 476128454 /nfs/dbraw/zinc/12/84/54/476128454.db2.gz YPIQHAQZUNKZPZ-UWVAXJGDSA-N 1 3 326.488 2.577 20 30 EFEDHO N#Cc1ccccc1CSCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422986955 476878927 /nfs/dbraw/zinc/87/89/27/476878927.db2.gz HPVCYVQVVHDLLC-IPMKNSEASA-N 1 3 345.512 2.538 20 30 EFEDHO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCNC1 ZINC000423218983 476967576 /nfs/dbraw/zinc/96/75/76/476967576.db2.gz SWMJMEMSLXDMGV-APWZRJJASA-N 1 3 326.488 2.500 20 30 EFEDHO C[C@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCNC1 ZINC000423351337 477003031 /nfs/dbraw/zinc/00/30/31/477003031.db2.gz YVDIHGYSEGSAEB-FQEVSTJZSA-N 1 3 326.488 2.502 20 30 EFEDHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](N)CCCC#N)c2)CC1 ZINC000424150984 477310213 /nfs/dbraw/zinc/31/02/13/477310213.db2.gz GWQQFXKAVLPLSF-LJQANCHMSA-N 1 3 342.487 2.556 20 30 EFEDHO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000424176957 477318055 /nfs/dbraw/zinc/31/80/55/477318055.db2.gz SJOXUVJOGQVBOI-ICSRJNTNSA-N 1 3 329.488 2.509 20 30 EFEDHO C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCCC[NH2+]1 ZINC000516562262 477951542 /nfs/dbraw/zinc/95/15/42/477951542.db2.gz NYYCFUBCNNLQQQ-LTDKPHRXSA-N 1 3 328.460 2.763 20 30 EFEDHO C=CCCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494576541 478016329 /nfs/dbraw/zinc/01/63/29/478016329.db2.gz AXAARISHIQQESW-UHFFFAOYSA-N 1 3 343.515 2.913 20 30 EFEDHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594438944 478389737 /nfs/dbraw/zinc/38/97/37/478389737.db2.gz RCDUTFBNHWVXEH-MRXNPFEDSA-N 1 3 343.475 2.542 20 30 EFEDHO C=C[C@H]1CCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000570813024 478453016 /nfs/dbraw/zinc/45/30/16/478453016.db2.gz CPNVQZZLWHYJHA-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000491678456 478629718 /nfs/dbraw/zinc/62/97/18/478629718.db2.gz BNLUXRYMDICSMC-LJQANCHMSA-N 1 3 325.456 2.519 20 30 EFEDHO C#CCN1CCC(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000491678455 478629870 /nfs/dbraw/zinc/62/98/70/478629870.db2.gz BNLUXRYMDICSMC-IBGZPJMESA-N 1 3 325.456 2.519 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598543245 478887754 /nfs/dbraw/zinc/88/77/54/478887754.db2.gz UJJPABLWXKMCET-HXUWFJFHSA-N 1 3 339.483 2.997 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598560844 478895600 /nfs/dbraw/zinc/89/56/00/478895600.db2.gz NZOFQMABOOLGBJ-VQTJNVASSA-N 1 3 339.483 2.997 20 30 EFEDHO N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560844 478895606 /nfs/dbraw/zinc/89/56/06/478895606.db2.gz NZOFQMABOOLGBJ-VQTJNVASSA-N 1 3 339.483 2.997 20 30 EFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000601967079 479100134 /nfs/dbraw/zinc/10/01/34/479100134.db2.gz HRUKNLIEXHEVQL-QRQLOZEOSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC(C)(C)C#N ZINC000601967079 479100143 /nfs/dbraw/zinc/10/01/43/479100143.db2.gz HRUKNLIEXHEVQL-QRQLOZEOSA-N 1 3 329.488 2.645 20 30 EFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC(C)(C)C#N ZINC000601967079 479100147 /nfs/dbraw/zinc/10/01/47/479100147.db2.gz HRUKNLIEXHEVQL-QRQLOZEOSA-N 1 3 329.488 2.645 20 30 EFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)C(C)C ZINC000567776312 479115400 /nfs/dbraw/zinc/11/54/00/479115400.db2.gz WZNWWWOZZIBQDE-PMACEKPBSA-N 1 3 341.499 2.688 20 30 EFEDHO CN1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000598994308 479119759 /nfs/dbraw/zinc/11/97/59/479119759.db2.gz JLLXRVKOZJAQGF-FQEVSTJZSA-N 1 3 340.515 2.844 20 30 EFEDHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(C#N)cc1F ZINC000602020146 479141339 /nfs/dbraw/zinc/14/13/39/479141339.db2.gz JDDMSVKRIDERTQ-ZDUSSCGKSA-N 1 3 325.391 2.675 20 30 EFEDHO N#Cc1cccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)n1 ZINC000602522497 479380664 /nfs/dbraw/zinc/38/06/64/479380664.db2.gz WJGNGLODFAYALF-UHFFFAOYSA-N 1 3 349.482 2.645 20 30 EFEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC1(CC#N)CC1 ZINC000602778221 479546297 /nfs/dbraw/zinc/54/62/97/479546297.db2.gz GRYOLEMOMXEMDK-UHFFFAOYSA-N 1 3 332.536 2.808 20 30 EFEDHO CN1CCN(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000619673848 479854455 /nfs/dbraw/zinc/85/44/55/479854455.db2.gz OGSZLZSBHJEVOG-LJQANCHMSA-N 1 3 326.488 2.551 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000644532011 480420474 /nfs/dbraw/zinc/42/04/74/480420474.db2.gz QQYJHAPOZKBXSZ-AZUAARDMSA-N 1 3 346.515 2.865 20 30 EFEDHO CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841829 522677887 /nfs/dbraw/zinc/67/78/87/522677887.db2.gz PTXGAUNTSUNMOG-CQSZACIVSA-N 1 3 348.878 2.814 20 30 EFEDHO CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841829 522677897 /nfs/dbraw/zinc/67/78/97/522677897.db2.gz PTXGAUNTSUNMOG-CQSZACIVSA-N 1 3 348.878 2.814 20 30 EFEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000171728044 526430936 /nfs/dbraw/zinc/43/09/36/526430936.db2.gz UGINIDUOIXXYMU-UHFFFAOYSA-N 1 3 348.535 2.591 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCN(CCC)CC1 ZINC000177050752 527263297 /nfs/dbraw/zinc/26/32/97/527263297.db2.gz XOMPSOGHZPQBGU-HXUWFJFHSA-N 1 3 346.515 2.961 20 30 EFEDHO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCN(CCC)CC1 ZINC000177050752 527263305 /nfs/dbraw/zinc/26/33/05/527263305.db2.gz XOMPSOGHZPQBGU-HXUWFJFHSA-N 1 3 346.515 2.961 20 30 EFEDHO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170912901 528269474 /nfs/dbraw/zinc/26/94/74/528269474.db2.gz ATXWEGOGALPOKC-KRWDZBQOSA-N 1 3 325.460 2.761 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160600183 529059400 /nfs/dbraw/zinc/05/94/00/529059400.db2.gz XRHADSODGFOABI-LLVKDONJSA-N 1 3 330.354 2.796 20 30 EFEDHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306962 536393459 /nfs/dbraw/zinc/39/34/59/536393459.db2.gz BGZBINMCNOQKBP-QUCCMNQESA-N 1 3 325.456 2.703 20 30 EFEDHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(C#N)CCc3ccccc3)C2)C1 ZINC000356306962 536393461 /nfs/dbraw/zinc/39/34/61/536393461.db2.gz BGZBINMCNOQKBP-QUCCMNQESA-N 1 3 325.456 2.703 20 30 EFEDHO C[C@@H](C#N)Oc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769383162 577357256 /nfs/dbraw/zinc/35/72/56/577357256.db2.gz DKFXNHCHIWKUOG-INIZCTEOSA-N 1 3 331.460 2.520 20 30 EFEDHO C[C@H](C#N)Oc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000769383165 577357438 /nfs/dbraw/zinc/35/74/38/577357438.db2.gz DKFXNHCHIWKUOG-MRXNPFEDSA-N 1 3 331.460 2.520 20 30 EFEDHO C#CCOc1ccc(CN2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000769514273 577368836 /nfs/dbraw/zinc/36/88/36/577368836.db2.gz IIYMSVATQHYDGB-HXUWFJFHSA-N 1 3 330.472 2.631 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)CC2CC(C)(C)C2)CC1 ZINC001752229937 1249369552 /nfs/dbraw/zinc/36/95/52/1249369552.db2.gz PYLBOVYVSGOVQS-UHFFFAOYSA-N 1 3 347.547 2.596 20 30 EFEDHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)CC2CC(C)(C)C2)CC1 ZINC001752229937 1249369562 /nfs/dbraw/zinc/36/95/62/1249369562.db2.gz PYLBOVYVSGOVQS-UHFFFAOYSA-N 1 3 347.547 2.596 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299981 1255184567 /nfs/dbraw/zinc/18/45/67/1255184567.db2.gz HWULHVLJTYLFHY-BEFAXECRSA-N 1 3 339.499 2.602 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552425 1256117115 /nfs/dbraw/zinc/11/71/15/1256117115.db2.gz MXAXXDQLULXZEI-YLJYHZDGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552425 1256117129 /nfs/dbraw/zinc/11/71/29/1256117129.db2.gz MXAXXDQLULXZEI-YLJYHZDGSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621349 1256319437 /nfs/dbraw/zinc/31/94/37/1256319437.db2.gz NHRADQOZIWJRBR-IEBWSBKVSA-N 1 3 330.476 2.588 20 30 EFEDHO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621349 1256319443 /nfs/dbraw/zinc/31/94/43/1256319443.db2.gz NHRADQOZIWJRBR-IEBWSBKVSA-N 1 3 330.476 2.588 20 30 EFEDHO CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997344807 1257404044 /nfs/dbraw/zinc/40/40/44/1257404044.db2.gz JCPDPUKLOKJXNH-QGZVFWFLSA-N 1 3 341.499 2.602 20 30 EFEDHO C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997432188 1257578174 /nfs/dbraw/zinc/57/81/74/1257578174.db2.gz VZKKHTSITSNNDY-MRXNPFEDSA-N 1 3 329.488 2.765 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC000997874942 1258558467 /nfs/dbraw/zinc/55/84/67/1258558467.db2.gz VBFYJBJXJAPBDO-ROUUACIJSA-N 1 3 347.547 2.594 20 30 EFEDHO CC#CCN1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998165576 1259181437 /nfs/dbraw/zinc/18/14/37/1259181437.db2.gz MTXJPGGUMZSROC-FQEVSTJZSA-N 1 3 347.547 2.833 20 30 EFEDHO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946900122 1261632810 /nfs/dbraw/zinc/63/28/10/1261632810.db2.gz ZGJFYHQEZHESSN-BGYRXZFFSA-N 1 3 341.499 2.718 20 30 EFEDHO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946900122 1261632817 /nfs/dbraw/zinc/63/28/17/1261632817.db2.gz ZGJFYHQEZHESSN-BGYRXZFFSA-N 1 3 341.499 2.718 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C12CCC2 ZINC001078699979 1262178330 /nfs/dbraw/zinc/17/83/30/1262178330.db2.gz DYMMZHVVAIJOQH-GJZGRUSLSA-N 1 3 339.911 2.630 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819305 1262362251 /nfs/dbraw/zinc/36/22/51/1262362251.db2.gz LSZFOEUROKZEGP-MOPGFXCFSA-N 1 3 341.499 2.955 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001486220497 1262823521 /nfs/dbraw/zinc/82/35/21/1262823521.db2.gz LWDPURCLHBMXLM-MAUKXSAKSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853535 1264539567 /nfs/dbraw/zinc/53/95/67/1264539567.db2.gz XVHKASOLCZERMY-AQNXPRMDSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853535 1264539571 /nfs/dbraw/zinc/53/95/71/1264539571.db2.gz XVHKASOLCZERMY-AQNXPRMDSA-N 1 3 347.547 2.996 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938983 1264713133 /nfs/dbraw/zinc/71/31/33/1264713133.db2.gz NRLBZPQIGLKFMD-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938983 1264713143 /nfs/dbraw/zinc/71/31/43/1264713143.db2.gz NRLBZPQIGLKFMD-QRVBRYPASA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC001084957946 1264764400 /nfs/dbraw/zinc/76/44/00/1264764400.db2.gz FZFIBYDZGQGGFS-HOJAQTOUSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC001084957946 1264764408 /nfs/dbraw/zinc/76/44/08/1264764408.db2.gz FZFIBYDZGQGGFS-HOJAQTOUSA-N 1 3 345.531 2.892 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004370033 1266789579 /nfs/dbraw/zinc/78/95/79/1266789579.db2.gz HBDPCOOAKJBZNQ-IRXDYDNUSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004370033 1266789588 /nfs/dbraw/zinc/78/95/88/1266789588.db2.gz HBDPCOOAKJBZNQ-IRXDYDNUSA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004370034 1266789787 /nfs/dbraw/zinc/78/97/87/1266789787.db2.gz HBDPCOOAKJBZNQ-SJORKVTESA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004370034 1266789799 /nfs/dbraw/zinc/78/97/99/1266789799.db2.gz HBDPCOOAKJBZNQ-SJORKVTESA-N 1 3 339.911 2.536 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001085217695 1266841165 /nfs/dbraw/zinc/84/11/65/1266841165.db2.gz MFVXOVNBQPZPCV-BZUAXINKSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085217695 1266841182 /nfs/dbraw/zinc/84/11/82/1266841182.db2.gz MFVXOVNBQPZPCV-BZUAXINKSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085217696 1266842117 /nfs/dbraw/zinc/84/21/17/1266842117.db2.gz MFVXOVNBQPZPCV-OAGGEKHMSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085217696 1266842134 /nfs/dbraw/zinc/84/21/34/1266842134.db2.gz MFVXOVNBQPZPCV-OAGGEKHMSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085224509 1266857966 /nfs/dbraw/zinc/85/79/66/1266857966.db2.gz ISVWWMBNEONTPR-BRWVUGGUSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085224509 1266857980 /nfs/dbraw/zinc/85/79/80/1266857980.db2.gz ISVWWMBNEONTPR-BRWVUGGUSA-N 1 3 341.927 2.734 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458697 1267095847 /nfs/dbraw/zinc/09/58/47/1267095847.db2.gz QDWACVPJHMAVLY-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458697 1267095857 /nfs/dbraw/zinc/09/58/57/1267095857.db2.gz QDWACVPJHMAVLY-GOSISDBHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004465278 1267105833 /nfs/dbraw/zinc/10/58/33/1267105833.db2.gz RJWLVSHZTZMRKF-MOPGFXCFSA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004465278 1267105838 /nfs/dbraw/zinc/10/58/38/1267105838.db2.gz RJWLVSHZTZMRKF-MOPGFXCFSA-N 1 3 335.536 2.852 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621092 1267188248 /nfs/dbraw/zinc/18/82/48/1267188248.db2.gz JUEPSWJAZIQXKI-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621092 1267188250 /nfs/dbraw/zinc/18/82/50/1267188250.db2.gz JUEPSWJAZIQXKI-HDICACEKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004545370 1267264580 /nfs/dbraw/zinc/26/45/80/1267264580.db2.gz ZGZXIORHTGWPMA-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004545370 1267264589 /nfs/dbraw/zinc/26/45/89/1267264589.db2.gz ZGZXIORHTGWPMA-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545621 1267265838 /nfs/dbraw/zinc/26/58/38/1267265838.db2.gz FCGQKPGNASDMHA-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545621 1267265850 /nfs/dbraw/zinc/26/58/50/1267265850.db2.gz FCGQKPGNASDMHA-PKOBYXMFSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545619 1267266889 /nfs/dbraw/zinc/26/68/89/1267266889.db2.gz FCGQKPGNASDMHA-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545619 1267266894 /nfs/dbraw/zinc/26/68/94/1267266894.db2.gz FCGQKPGNASDMHA-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547023 1267268806 /nfs/dbraw/zinc/26/88/06/1267268806.db2.gz KOXWBAHRKYCJJL-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004547023 1267268813 /nfs/dbraw/zinc/26/88/13/1267268813.db2.gz KOXWBAHRKYCJJL-IEBWSBKVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549424 1267276504 /nfs/dbraw/zinc/27/65/04/1267276504.db2.gz ZBOOISUMRKUSAW-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549424 1267276515 /nfs/dbraw/zinc/27/65/15/1267276515.db2.gz ZBOOISUMRKUSAW-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639972 1268097292 /nfs/dbraw/zinc/09/72/92/1268097292.db2.gz ZOLKHCRUOMBRFC-RTBURBONSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639972 1268097301 /nfs/dbraw/zinc/09/73/01/1268097301.db2.gz ZOLKHCRUOMBRFC-RTBURBONSA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820410 1268655779 /nfs/dbraw/zinc/65/57/79/1268655779.db2.gz ZHCYVHMHPSLTRK-FQEVSTJZSA-N 1 3 343.515 2.903 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417630 1269090536 /nfs/dbraw/zinc/09/05/36/1269090536.db2.gz WMIMZOZYHGZQQN-VQIMIIECSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417630 1269090544 /nfs/dbraw/zinc/09/05/44/1269090544.db2.gz WMIMZOZYHGZQQN-VQIMIIECSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033685099 1269795430 /nfs/dbraw/zinc/79/54/30/1269795430.db2.gz KQKQYJOUKGZCGU-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033685099 1269795433 /nfs/dbraw/zinc/79/54/33/1269795433.db2.gz KQKQYJOUKGZCGU-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033832403 1270294373 /nfs/dbraw/zinc/29/43/73/1270294373.db2.gz FGHUFYMMULJUAC-ICSRJNTNSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033832403 1270294379 /nfs/dbraw/zinc/29/43/79/1270294379.db2.gz FGHUFYMMULJUAC-ICSRJNTNSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001086250855 1270681722 /nfs/dbraw/zinc/68/17/22/1270681722.db2.gz POCLEROIXJGBQB-IXDOHACOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250855 1270681733 /nfs/dbraw/zinc/68/17/33/1270681733.db2.gz POCLEROIXJGBQB-IXDOHACOSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(C)CNC(=O)[C@@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273137304 1272971837 /nfs/dbraw/zinc/97/18/37/1272971837.db2.gz QPYDWBJUEIMDNX-SFHVURJKSA-N 1 3 347.547 2.903 20 30 EFEDHO CN(C)/C=N/c1ccc(-n2cc(CC[NH3+])c3ncccc32)cc1C#N ZINC001169710531 1273112574 /nfs/dbraw/zinc/11/25/74/1273112574.db2.gz LBHGVLDFJPDVHH-YDZHTSKRSA-N 1 3 332.411 2.620 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765384 1273469399 /nfs/dbraw/zinc/46/93/99/1273469399.db2.gz PHURPINZTCRUML-BZSNNMDCSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035732953 1274422701 /nfs/dbraw/zinc/42/27/01/1274422701.db2.gz JXHJEXVGKJVEOK-MSOLQXFVSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035732953 1274422702 /nfs/dbraw/zinc/42/27/02/1274422702.db2.gz JXHJEXVGKJVEOK-MSOLQXFVSA-N 1 3 331.504 2.504 20 30 EFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858567 1274608945 /nfs/dbraw/zinc/60/89/45/1274608945.db2.gz VWUKTTXFNVRAHQ-SFHVURJKSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112568107 1275221815 /nfs/dbraw/zinc/22/18/15/1275221815.db2.gz YENXBUGOWHHZRY-HBFSDRIKSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1CN(C)C)C2 ZINC001112585424 1275321271 /nfs/dbraw/zinc/32/12/71/1275321271.db2.gz XIUQKPMJPKGQOP-RXVVDRJESA-N 1 3 341.499 2.766 20 30 EFEDHO CC[C@H](C#N)Oc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000817918638 1276376468 /nfs/dbraw/zinc/37/64/68/1276376468.db2.gz LUZNELBQFNRJDS-BBWFWOEESA-N 1 3 331.460 2.983 20 30 EFEDHO C=CCC[NH+]1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005988964 1277307714 /nfs/dbraw/zinc/30/77/14/1277307714.db2.gz ZBQHIKTWEXSRST-IBGZPJMESA-N 1 3 339.499 2.698 20 30 EFEDHO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262419 1280066518 /nfs/dbraw/zinc/06/65/18/1280066518.db2.gz DCSNPJTWJFQKIW-HCXYKTFWSA-N 1 3 333.520 2.652 20 30 EFEDHO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C(C)C ZINC001114262419 1280066526 /nfs/dbraw/zinc/06/65/26/1280066526.db2.gz DCSNPJTWJFQKIW-HCXYKTFWSA-N 1 3 333.520 2.652 20 30 EFEDHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001175316434 1287399445 /nfs/dbraw/zinc/39/94/45/1287399445.db2.gz JLAWGLZBXSDUHT-ICSRJNTNSA-N 1 3 343.515 2.643 20 30 EFEDHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001175317555 1287400087 /nfs/dbraw/zinc/40/00/87/1287400087.db2.gz PNADWIWKQZOTBQ-APWZRJJASA-N 1 3 344.503 2.663 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001091318811 1280317985 /nfs/dbraw/zinc/31/79/85/1280317985.db2.gz POCLEROIXJGBQB-OFLPRAFFSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001091318811 1280317997 /nfs/dbraw/zinc/31/79/97/1280317997.db2.gz POCLEROIXJGBQB-OFLPRAFFSA-N 1 3 341.927 2.878 20 30 EFEDHO C=C(Cl)CNC1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001091376139 1280450387 /nfs/dbraw/zinc/45/03/87/1280450387.db2.gz MUZMJGISFIEHPS-UHFFFAOYSA-N 1 3 335.879 2.599 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001146608697 1280951179 /nfs/dbraw/zinc/95/11/79/1280951179.db2.gz ASCHSNMHQOSFMI-IRXDYDNUSA-N 1 3 347.547 2.641 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146624966 1280956945 /nfs/dbraw/zinc/95/69/45/1280956945.db2.gz SPIOBWJKABEIIO-CABCVRRESA-N 1 3 337.895 2.987 20 30 EFEDHO C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725025 1281247618 /nfs/dbraw/zinc/24/76/18/1281247618.db2.gz QLCQSFJCHQPWRF-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147725025 1281247625 /nfs/dbraw/zinc/24/76/25/1281247625.db2.gz QLCQSFJCHQPWRF-GOSISDBHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672157 1281378433 /nfs/dbraw/zinc/37/84/33/1281378433.db2.gz JJVZXAZWRJSQSD-NQIIRXRSSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672157 1281378445 /nfs/dbraw/zinc/37/84/45/1281378445.db2.gz JJVZXAZWRJSQSD-NQIIRXRSSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001148827643 1281757266 /nfs/dbraw/zinc/75/72/66/1281757266.db2.gz IKFNGZXDHPAJRU-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C=CCCC[N@@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001148827643 1281757269 /nfs/dbraw/zinc/75/72/69/1281757269.db2.gz IKFNGZXDHPAJRU-UHFFFAOYSA-N 1 3 341.499 2.862 20 30 EFEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926766 1281948228 /nfs/dbraw/zinc/94/82/28/1281948228.db2.gz JIGHEFKHFSJRHH-MOPGFXCFSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926766 1281948235 /nfs/dbraw/zinc/94/82/35/1281948235.db2.gz JIGHEFKHFSJRHH-MOPGFXCFSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086926768 1281948338 /nfs/dbraw/zinc/94/83/38/1281948338.db2.gz JIGHEFKHFSJRHH-RBUKOAKNSA-N 1 3 345.531 2.586 20 30 EFEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086926768 1281948344 /nfs/dbraw/zinc/94/83/44/1281948344.db2.gz JIGHEFKHFSJRHH-RBUKOAKNSA-N 1 3 345.531 2.586 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927302 1281949400 /nfs/dbraw/zinc/94/94/00/1281949400.db2.gz YJWNCFNDJYSBPT-KRWDZBQOSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941103 1281968654 /nfs/dbraw/zinc/96/86/54/1281968654.db2.gz JBMWHOFXHFAOSJ-KRWDZBQOSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941104 1281968791 /nfs/dbraw/zinc/96/87/91/1281968791.db2.gz JBMWHOFXHFAOSJ-QGZVFWFLSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071243 1282368634 /nfs/dbraw/zinc/36/86/34/1282368634.db2.gz MUHGWXGJIWRZFX-SBHAEUEKSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071243 1282368644 /nfs/dbraw/zinc/36/86/44/1282368644.db2.gz MUHGWXGJIWRZFX-SBHAEUEKSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCCCC)C2)CC1 ZINC001132519519 1283781034 /nfs/dbraw/zinc/78/10/34/1283781034.db2.gz ZYRIGRWNDJBUKQ-UYAOXDASSA-N 1 3 347.547 2.881 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCCCC)C2)CC1 ZINC001132519519 1283781041 /nfs/dbraw/zinc/78/10/41/1283781041.db2.gz ZYRIGRWNDJBUKQ-UYAOXDASSA-N 1 3 347.547 2.881 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093369532 1283800114 /nfs/dbraw/zinc/80/01/14/1283800114.db2.gz BSZWWZQTPRIAFB-FQEVSTJZSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093369532 1283800122 /nfs/dbraw/zinc/80/01/22/1283800122.db2.gz BSZWWZQTPRIAFB-FQEVSTJZSA-N 1 3 345.531 2.750 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372597 1283810863 /nfs/dbraw/zinc/81/08/63/1283810863.db2.gz FQBGYIZHZIBYIL-RBUKOAKNSA-N 1 3 347.547 2.852 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372597 1283810874 /nfs/dbraw/zinc/81/08/74/1283810874.db2.gz FQBGYIZHZIBYIL-RBUKOAKNSA-N 1 3 347.547 2.852 20 30 EFEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377037 1283828569 /nfs/dbraw/zinc/82/85/69/1283828569.db2.gz FOEJCJRRVYREGX-FXAWDEMLSA-N 1 3 345.531 2.607 20 30 EFEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377037 1283828575 /nfs/dbraw/zinc/82/85/75/1283828575.db2.gz FOEJCJRRVYREGX-FXAWDEMLSA-N 1 3 345.531 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379792 1283841488 /nfs/dbraw/zinc/84/14/88/1283841488.db2.gz JJTQMTDBPYYFJO-IBGZPJMESA-N 1 3 342.487 2.621 20 30 EFEDHO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379792 1283841495 /nfs/dbraw/zinc/84/14/95/1283841495.db2.gz JJTQMTDBPYYFJO-IBGZPJMESA-N 1 3 342.487 2.621 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820873 1284060037 /nfs/dbraw/zinc/06/00/37/1284060037.db2.gz QDJDZZHRORZVBT-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820873 1284060048 /nfs/dbraw/zinc/06/00/48/1284060048.db2.gz QDJDZZHRORZVBT-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133117354 1284822860 /nfs/dbraw/zinc/82/28/60/1284822860.db2.gz JPGZBSZZJACEED-GDBMZVCRSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133117357 1284823727 /nfs/dbraw/zinc/82/37/27/1284823727.db2.gz JPGZBSZZJACEED-ZBFHGGJFSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133120805 1284829609 /nfs/dbraw/zinc/82/96/09/1284829609.db2.gz BHDWQDRPFDBMOV-GOEBONIOSA-N 1 3 343.943 2.791 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194932 1284972744 /nfs/dbraw/zinc/97/27/44/1284972744.db2.gz NEMNJMLTFCMRQO-DOTOQJQBSA-N 1 3 341.927 2.545 20 30 EFEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133196178 1284973812 /nfs/dbraw/zinc/97/38/12/1284973812.db2.gz TXZYGVWGZREOBS-OALUTQOASA-N 1 3 335.536 2.759 20 30 EFEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094556582 1285368781 /nfs/dbraw/zinc/36/87/81/1285368781.db2.gz ZHKQAWKWSVJGBY-SFHLNBCPSA-N 1 3 345.531 2.635 20 30 EFEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3CCCC)CCC[C@@H]12 ZINC001094556582 1285368793 /nfs/dbraw/zinc/36/87/93/1285368793.db2.gz ZHKQAWKWSVJGBY-SFHLNBCPSA-N 1 3 345.531 2.635 20 30 EFEDHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001171498928 1285584756 /nfs/dbraw/zinc/58/47/56/1285584756.db2.gz DAWGZDOROIZGCW-VQIMIIECSA-N 1 3 344.503 2.663 20 30 EFEDHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203256291 1286761144 /nfs/dbraw/zinc/76/11/44/1286761144.db2.gz HIBVAWITESHHTC-IRXDYDNUSA-N 1 3 333.520 2.844 20 30 EFEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176736842 1288087998 /nfs/dbraw/zinc/08/79/98/1288087998.db2.gz FTEFEFPWTUPMOU-KRWDZBQOSA-N 1 3 329.488 2.650 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+][C@@H](C)CCC=C)CC1 ZINC001176738351 1288088840 /nfs/dbraw/zinc/08/88/40/1288088840.db2.gz QTAOSQSXSXNUKJ-RBUKOAKNSA-N 1 3 347.547 2.951 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+][C@H](C)CCC=C)CC1 ZINC001176738353 1288089044 /nfs/dbraw/zinc/08/90/44/1288089044.db2.gz QTAOSQSXSXNUKJ-RTBURBONSA-N 1 3 347.547 2.951 20 30 EFEDHO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760166 1288123034 /nfs/dbraw/zinc/12/30/34/1288123034.db2.gz QWRXDZQTWDYJOD-HOTGVXAUSA-N 1 3 329.916 2.878 20 30 EFEDHO C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001177415547 1288423832 /nfs/dbraw/zinc/42/38/32/1288423832.db2.gz BWOOHZQGBPBXFQ-GOSISDBHSA-N 1 3 335.536 2.903 20 30 EFEDHO C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177416018 1288424805 /nfs/dbraw/zinc/42/48/05/1288424805.db2.gz REORCMBZRCVVSO-SFHVURJKSA-N 1 3 335.536 2.903 20 30 EFEDHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539384 1289183821 /nfs/dbraw/zinc/18/38/21/1289183821.db2.gz WOPJSBPHIQMKNS-TXPKVOOTSA-N 1 3 339.499 2.744 20 30 EFEDHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N)N(C)C ZINC001179609273 1289197857 /nfs/dbraw/zinc/19/78/57/1289197857.db2.gz LUXUVBUGAXZLBW-IBGZPJMESA-N 1 3 344.503 2.665 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC2CCCC2)CC1 ZINC001180360274 1289494932 /nfs/dbraw/zinc/49/49/32/1289494932.db2.gz BFIIBRGNHNTWFO-UHFFFAOYSA-N 1 3 347.547 2.788 20 30 EFEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]C[C@H](C)CC)CC1 ZINC001180360659 1289495255 /nfs/dbraw/zinc/49/52/55/1289495255.db2.gz LWLMMAJIXKHVHD-GOSISDBHSA-N 1 3 335.536 2.644 20 30 EFEDHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC001180369448 1289516655 /nfs/dbraw/zinc/51/66/55/1289516655.db2.gz GNGJFXYYHAJCLU-UHFFFAOYSA-N 1 3 344.503 2.665 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623561 1290227393 /nfs/dbraw/zinc/22/73/93/1290227393.db2.gz QDTWGMAGMWWDQI-RDTXWAMCSA-N 1 3 341.927 2.545 20 30 EFEDHO C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001183516889 1290354131 /nfs/dbraw/zinc/35/41/31/1290354131.db2.gz DDZHDJHPGWDTDA-QWFCFKBJSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687789 1312820653 /nfs/dbraw/zinc/82/06/53/1312820653.db2.gz ZXKQSTPGDWHWSO-CRAIPNDOSA-N 1 3 327.488 2.650 20 30 EFEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000876736965 1290994630 /nfs/dbraw/zinc/99/46/30/1290994630.db2.gz YNKGRGYYXZIECI-DLBZAZTESA-N 1 3 335.879 2.627 20 30 EFEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186597344 1290994848 /nfs/dbraw/zinc/99/48/48/1290994848.db2.gz HKQIVGRSWGSEAS-SFHVURJKSA-N 1 3 347.547 2.691 20 30 EFEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)N(C)CC)CC2)CC1 ZINC001186597344 1290994855 /nfs/dbraw/zinc/99/48/55/1290994855.db2.gz HKQIVGRSWGSEAS-SFHVURJKSA-N 1 3 347.547 2.691 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604199 1290998230 /nfs/dbraw/zinc/99/82/30/1290998230.db2.gz AJWZJTCIXZPDGX-IBGZPJMESA-N 1 3 347.547 2.692 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC001186604199 1290998240 /nfs/dbraw/zinc/99/82/40/1290998240.db2.gz AJWZJTCIXZPDGX-IBGZPJMESA-N 1 3 347.547 2.692 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000877031244 1291111194 /nfs/dbraw/zinc/11/11/94/1291111194.db2.gz SFQSYMQJWJRZPK-HLLBOEOZSA-N 1 3 333.863 2.599 20 30 EFEDHO C=C(Cl)C[C@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000877031244 1291111198 /nfs/dbraw/zinc/11/11/98/1291111198.db2.gz SFQSYMQJWJRZPK-HLLBOEOZSA-N 1 3 333.863 2.599 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016622125 1312886919 /nfs/dbraw/zinc/88/69/19/1312886919.db2.gz UCIIMRQEXHFASE-KRWDZBQOSA-N 1 3 333.520 2.798 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016622126 1312886951 /nfs/dbraw/zinc/88/69/51/1312886951.db2.gz UCIIMRQEXHFASE-QGZVFWFLSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)CC2)CC1 ZINC000957647442 1291959709 /nfs/dbraw/zinc/95/97/09/1291959709.db2.gz IHBISQKLNJRSHE-IBGZPJMESA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203428327 1312922707 /nfs/dbraw/zinc/92/27/07/1312922707.db2.gz XXVGGYHKVAJPGE-IAGOWNOFSA-N 1 3 335.536 2.948 20 30 EFEDHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203507578 1312941531 /nfs/dbraw/zinc/94/15/31/1312941531.db2.gz SXUMLPMDHGBMNM-ROUUACIJSA-N 1 3 333.520 2.539 20 30 EFEDHO CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CCCCCC)C12CCC2 ZINC001203508571 1312942205 /nfs/dbraw/zinc/94/22/05/1312942205.db2.gz ZDYGIRCZLNVWAB-QZTJIDSGSA-N 1 3 333.520 2.539 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001049509452 1312942680 /nfs/dbraw/zinc/94/26/80/1312942680.db2.gz USRBHFZCERUZCY-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001049509452 1312942684 /nfs/dbraw/zinc/94/26/84/1312942684.db2.gz USRBHFZCERUZCY-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO N#Cc1cccc(CN2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001203757597 1313008158 /nfs/dbraw/zinc/00/81/58/1313008158.db2.gz PFKYUZXTPISDMO-UHFFFAOYSA-N 1 3 327.472 2.883 20 30 EFEDHO C=CCC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001203771800 1313011371 /nfs/dbraw/zinc/01/13/71/1313011371.db2.gz PAUFHFSZMNOUGV-MOPGFXCFSA-N 1 3 341.499 2.955 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCCCC)C23CCC3)CC1 ZINC001203773330 1313011387 /nfs/dbraw/zinc/01/13/87/1313011387.db2.gz VPZXYKJDLIWZHP-RBUKOAKNSA-N 1 3 345.531 2.539 20 30 EFEDHO C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862002 1313015320 /nfs/dbraw/zinc/01/53/20/1313015320.db2.gz RLOWQKUMUXIXOY-ZWKOTPCHSA-N 1 3 333.520 2.796 20 30 EFEDHO C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001049565659 1313025900 /nfs/dbraw/zinc/02/59/00/1313025900.db2.gz VYFIPJDJLCJZGL-MOPGFXCFSA-N 1 3 345.531 2.728 20 30 EFEDHO C#CCCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049565659 1313025903 /nfs/dbraw/zinc/02/59/03/1313025903.db2.gz VYFIPJDJLCJZGL-MOPGFXCFSA-N 1 3 345.531 2.728 20 30 EFEDHO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001016922476 1313043957 /nfs/dbraw/zinc/04/39/57/1313043957.db2.gz DIKIUFWZQYWOCS-MSOLQXFVSA-N 1 3 333.520 2.798 20 30 EFEDHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001016922804 1313044152 /nfs/dbraw/zinc/04/41/52/1313044152.db2.gz GTHPZZIQDRQFFW-OALUTQOASA-N 1 3 345.531 2.635 20 30 EFEDHO C=CCCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196162827 1294153809 /nfs/dbraw/zinc/15/38/09/1294153809.db2.gz BBHNBEJNVKNICQ-IBGZPJMESA-N 1 3 333.520 2.894 20 30 EFEDHO C=CCCCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196162827 1294153812 /nfs/dbraw/zinc/15/38/12/1294153812.db2.gz BBHNBEJNVKNICQ-IBGZPJMESA-N 1 3 333.520 2.894 20 30 EFEDHO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016982908 1313071051 /nfs/dbraw/zinc/07/10/51/1313071051.db2.gz NHHSYPFHMFGOTJ-IBGZPJMESA-N 1 3 341.499 2.909 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](Nc1ccccc1)C(C)C ZINC000303774866 1294577501 /nfs/dbraw/zinc/57/75/01/1294577501.db2.gz GGPLLHQVDBPJGE-QZTJIDSGSA-N 1 3 331.508 2.512 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](Nc1ccccc1)C(C)C ZINC000303774865 1294577799 /nfs/dbraw/zinc/57/77/99/1294577799.db2.gz GGPLLHQVDBPJGE-MSOLQXFVSA-N 1 3 331.508 2.512 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1 ZINC000303785479 1294581258 /nfs/dbraw/zinc/58/12/58/1294581258.db2.gz QMHRNOATTWJAQR-AWEZNQCLSA-N 1 3 328.382 2.594 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(C)C)c1 ZINC000303864955 1294591717 /nfs/dbraw/zinc/59/17/17/1294591717.db2.gz BKGHRNIAMPFPOX-KRWDZBQOSA-N 1 3 332.492 2.610 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Cl)cc(Cl)c1 ZINC000303884145 1294597782 /nfs/dbraw/zinc/59/77/82/1294597782.db2.gz MRAXINQRMCXDCQ-HNNXBMFYSA-N 1 3 343.302 2.925 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)N2CCC(C)CC2)c1 ZINC000303890815 1294598543 /nfs/dbraw/zinc/59/85/43/1294598543.db2.gz QEPWQGBTUPNEPS-AWEZNQCLSA-N 1 3 334.464 2.551 20 30 EFEDHO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000303907944 1294601171 /nfs/dbraw/zinc/60/11/71/1294601171.db2.gz XGJDSBPCIAMAHQ-KGLIPLIRSA-N 1 3 334.464 2.693 20 30 EFEDHO CCCCOc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000303902337 1294601432 /nfs/dbraw/zinc/60/14/32/1294601432.db2.gz TVVYQJINEIAGTJ-SFHVURJKSA-N 1 3 346.519 2.797 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC1CCCC1 ZINC000303910351 1294602373 /nfs/dbraw/zinc/60/23/73/1294602373.db2.gz YTRRIBHHWGJWBD-QGZVFWFLSA-N 1 3 344.503 2.897 20 30 EFEDHO C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345431 1313109644 /nfs/dbraw/zinc/10/96/44/1313109644.db2.gz IIVPOFBIDVWMPL-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO CCOCC[NH+]1CCC2(CCCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277859402 1313137967 /nfs/dbraw/zinc/13/79/67/1313137967.db2.gz YJYBSJIOCQAQAW-UHFFFAOYSA-N 1 3 344.503 2.611 20 30 EFEDHO C=CCC[C@H](C)N[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885091 1295316723 /nfs/dbraw/zinc/31/67/23/1295316723.db2.gz ANCDSXAEIRLLHX-WMZOPIPTSA-N 1 3 347.503 2.749 20 30 EFEDHO C=C(C)CC[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198993270 1295388721 /nfs/dbraw/zinc/38/87/21/1295388721.db2.gz MDLXIGFEYAPAAQ-GOSISDBHSA-N 1 3 347.503 2.749 20 30 EFEDHO C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642114 1313175564 /nfs/dbraw/zinc/17/55/64/1313175564.db2.gz HFWIIYJYXLOVPR-MSOLQXFVSA-N 1 3 341.515 2.945 20 30 EFEDHO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234642114 1313175567 /nfs/dbraw/zinc/17/55/67/1313175567.db2.gz HFWIIYJYXLOVPR-MSOLQXFVSA-N 1 3 341.515 2.945 20 30 EFEDHO COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCC(C)CC2)cc1OC ZINC000104181368 1295733288 /nfs/dbraw/zinc/73/32/88/1295733288.db2.gz NIYDDEDBPPKFQJ-CQSZACIVSA-N 1 3 334.464 2.551 20 30 EFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(Cl)cc12 ZINC000304739478 1295746931 /nfs/dbraw/zinc/74/69/31/1295746931.db2.gz BGCAGPCNCIWJNA-HNNXBMFYSA-N 1 3 347.894 2.752 20 30 EFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OCC(C)C)cc1 ZINC000304755675 1295750933 /nfs/dbraw/zinc/75/09/33/1295750933.db2.gz NAEIWABKAMROPI-GOSISDBHSA-N 1 3 346.519 2.653 20 30 EFEDHO C=CCN1CC[C@]2(CCC[N@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274271008 1296049808 /nfs/dbraw/zinc/04/98/08/1296049808.db2.gz YUSPBYQCXSLRII-HXUWFJFHSA-N 1 3 338.455 2.954 20 30 EFEDHO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc4cnccc4[nH]3)CC2)C1=O ZINC001274271008 1296049818 /nfs/dbraw/zinc/04/98/18/1296049818.db2.gz YUSPBYQCXSLRII-HXUWFJFHSA-N 1 3 338.455 2.954 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001049717935 1313219319 /nfs/dbraw/zinc/21/93/19/1313219319.db2.gz HQKJUKSDZGIJBY-VQTJNVASSA-N 1 3 341.499 2.656 20 30 EFEDHO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030197 1296493631 /nfs/dbraw/zinc/49/36/31/1296493631.db2.gz BZDQZROGVIMRFM-YSHGAJCASA-N 1 3 326.488 2.697 20 30 EFEDHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001276030197 1296493637 /nfs/dbraw/zinc/49/36/37/1296493637.db2.gz BZDQZROGVIMRFM-YSHGAJCASA-N 1 3 326.488 2.697 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205416773 1313284501 /nfs/dbraw/zinc/28/45/01/1313284501.db2.gz CKETWGSHMNSYAD-IPMKNSEASA-N 1 3 347.478 2.626 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000960263354 1296668502 /nfs/dbraw/zinc/66/85/02/1296668502.db2.gz VHPLEXKZFUGKRG-VAMGGRTRSA-N 1 3 341.499 2.807 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000960263354 1296668512 /nfs/dbraw/zinc/66/85/12/1296668512.db2.gz VHPLEXKZFUGKRG-VAMGGRTRSA-N 1 3 341.499 2.807 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000960267352 1296673983 /nfs/dbraw/zinc/67/39/83/1296673983.db2.gz BKMBOFAEVALNHB-MTQWCTHYSA-N 1 3 341.499 2.665 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000960267352 1296673992 /nfs/dbraw/zinc/67/39/92/1296673992.db2.gz BKMBOFAEVALNHB-MTQWCTHYSA-N 1 3 341.499 2.665 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960272572 1296683572 /nfs/dbraw/zinc/68/35/72/1296683572.db2.gz DZOHYGMSBWYGKQ-VAMGGRTRSA-N 1 3 341.499 2.809 20 30 EFEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960272572 1296683581 /nfs/dbraw/zinc/68/35/81/1296683581.db2.gz DZOHYGMSBWYGKQ-VAMGGRTRSA-N 1 3 341.499 2.809 20 30 EFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458845 1313293022 /nfs/dbraw/zinc/29/30/22/1313293022.db2.gz YBDLUPQOEZIPHU-RBUKOAKNSA-N 1 3 347.478 2.626 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1F ZINC001205663971 1313333368 /nfs/dbraw/zinc/33/33/68/1313333368.db2.gz JFNGAOPAORTPFQ-PKOBYXMFSA-N 1 3 347.478 2.628 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1F ZINC001205674632 1313335591 /nfs/dbraw/zinc/33/55/91/1313335591.db2.gz XELJQHJYTYFHRH-PKOBYXMFSA-N 1 3 347.478 2.628 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685973 1313337752 /nfs/dbraw/zinc/33/77/52/1313337752.db2.gz LTNXPBHARSHXQW-PKOBYXMFSA-N 1 3 347.478 2.626 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001049835539 1313365442 /nfs/dbraw/zinc/36/54/42/1313365442.db2.gz JSHWHSSQRRRVKG-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049835539 1313365446 /nfs/dbraw/zinc/36/54/46/1313365446.db2.gz JSHWHSSQRRRVKG-IPMKNSEASA-N 1 3 333.520 2.892 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849036 1313384312 /nfs/dbraw/zinc/38/43/12/1313384312.db2.gz MTLOCQKOOJKILQ-CVEARBPZSA-N 1 3 330.476 2.719 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849036 1313384316 /nfs/dbraw/zinc/38/43/16/1313384316.db2.gz MTLOCQKOOJKILQ-CVEARBPZSA-N 1 3 330.476 2.719 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549752 1313408711 /nfs/dbraw/zinc/40/87/11/1313408711.db2.gz LRKOCHYKAGHMBC-CADBVGFASA-N 1 3 331.504 2.502 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549752 1313408713 /nfs/dbraw/zinc/40/87/13/1313408713.db2.gz LRKOCHYKAGHMBC-CADBVGFASA-N 1 3 331.504 2.502 20 30 EFEDHO C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287589 1313432005 /nfs/dbraw/zinc/43/20/05/1313432005.db2.gz FGKJHMJBUHRMRR-QGZVFWFLSA-N 1 3 335.536 2.901 20 30 EFEDHO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049907221 1313466281 /nfs/dbraw/zinc/46/62/81/1313466281.db2.gz BMYUDBISGYOSTM-RTBURBONSA-N 1 3 327.472 2.613 20 30 EFEDHO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049907221 1313466283 /nfs/dbraw/zinc/46/62/83/1313466283.db2.gz BMYUDBISGYOSTM-RTBURBONSA-N 1 3 327.472 2.613 20 30 EFEDHO N#Cc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236321662 1313469448 /nfs/dbraw/zinc/46/94/48/1313469448.db2.gz VHSNXFAYEIEKBK-GASCZTMLSA-N 1 3 334.261 2.752 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961410263 1298704141 /nfs/dbraw/zinc/70/41/41/1298704141.db2.gz GETUKGRGCDMLRT-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961410263 1298704146 /nfs/dbraw/zinc/70/41/46/1298704146.db2.gz GETUKGRGCDMLRT-ICSRJNTNSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410070 1298704276 /nfs/dbraw/zinc/70/42/76/1298704276.db2.gz FDFKALPDNAFSLR-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410070 1298704282 /nfs/dbraw/zinc/70/42/82/1298704282.db2.gz FDFKALPDNAFSLR-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961410830 1298705664 /nfs/dbraw/zinc/70/56/64/1298705664.db2.gz JSUUZIVIBWVNPX-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961410830 1298705673 /nfs/dbraw/zinc/70/56/73/1298705673.db2.gz JSUUZIVIBWVNPX-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412634 1298707972 /nfs/dbraw/zinc/70/79/72/1298707972.db2.gz UCPHZSAGVCOZFE-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961412634 1298707981 /nfs/dbraw/zinc/70/79/81/1298707981.db2.gz UCPHZSAGVCOZFE-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313547 1300573835 /nfs/dbraw/zinc/57/38/35/1300573835.db2.gz GCUIHVRUMCYGAZ-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313547 1300573841 /nfs/dbraw/zinc/57/38/41/1300573841.db2.gz GCUIHVRUMCYGAZ-ZWKOTPCHSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313531 1300574064 /nfs/dbraw/zinc/57/40/64/1300574064.db2.gz GCUIHVRUMCYGAZ-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963313531 1300574068 /nfs/dbraw/zinc/57/40/68/1300574068.db2.gz GCUIHVRUMCYGAZ-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315444 1300580200 /nfs/dbraw/zinc/58/02/00/1300580200.db2.gz STHOQAFSDMKFRH-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315444 1300580207 /nfs/dbraw/zinc/58/02/07/1300580207.db2.gz STHOQAFSDMKFRH-HKUYNNGSSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358196 1300679856 /nfs/dbraw/zinc/67/98/56/1300679856.db2.gz PCWNOXWQOREOTR-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963358196 1300679857 /nfs/dbraw/zinc/67/98/57/1300679857.db2.gz PCWNOXWQOREOTR-ROUUACIJSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384212 1300741160 /nfs/dbraw/zinc/74/11/60/1300741160.db2.gz RRAMCYVQPSZKLS-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384212 1300741167 /nfs/dbraw/zinc/74/11/67/1300741167.db2.gz RRAMCYVQPSZKLS-UXHICEINSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963417608 1300809665 /nfs/dbraw/zinc/80/96/65/1300809665.db2.gz ORONCXKXYMVXPL-IAGOWNOFSA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963417608 1300809681 /nfs/dbraw/zinc/80/96/81/1300809681.db2.gz ORONCXKXYMVXPL-IAGOWNOFSA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963417607 1300809881 /nfs/dbraw/zinc/80/98/81/1300809881.db2.gz ORONCXKXYMVXPL-DLBZAZTESA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC000963417607 1300809889 /nfs/dbraw/zinc/80/98/89/1300809889.db2.gz ORONCXKXYMVXPL-DLBZAZTESA-N 1 3 339.911 2.538 20 30 EFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176917 1313728371 /nfs/dbraw/zinc/72/83/71/1313728371.db2.gz SMUGCUGJXSVPIH-HCXYKTFWSA-N 1 3 333.520 2.748 20 30 EFEDHO C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCCN2CC)CC1 ZINC000964438681 1301836698 /nfs/dbraw/zinc/83/66/98/1301836698.db2.gz ZCATYNRYDLKGMS-OFLPRAFFSA-N 1 3 341.927 2.973 20 30 EFEDHO C=CCOC[C@H]1CCC[C@@]12CN(CC1(C)CC[NH+](C)CC1)CCO2 ZINC001208106767 1313848037 /nfs/dbraw/zinc/84/80/37/1313848037.db2.gz KLTIJQVDKNZISY-UYAOXDASSA-N 1 3 336.520 2.792 20 30 EFEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000965933260 1303466795 /nfs/dbraw/zinc/46/67/95/1303466795.db2.gz WCZZEFPWEUZBAL-HVEGKCCWSA-N 1 3 339.911 2.630 20 30 EFEDHO CCCCCCCCOC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239318085 1313925068 /nfs/dbraw/zinc/92/50/68/1313925068.db2.gz KXHXQGGAIVPYAY-INIZCTEOSA-N 1 3 325.497 2.947 20 30 EFEDHO C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681097 1306563130 /nfs/dbraw/zinc/56/31/30/1306563130.db2.gz GRTNYVYBJUKNDI-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968681097 1306563135 /nfs/dbraw/zinc/56/31/35/1306563135.db2.gz GRTNYVYBJUKNDI-QFBILLFUSA-N 1 3 329.488 2.765 20 30 EFEDHO C=CCN1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969109043 1306985559 /nfs/dbraw/zinc/98/55/59/1306985559.db2.gz SSSSCONUCCFDMK-LJQANCHMSA-N 1 3 333.520 2.655 20 30 EFEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938301 1307940259 /nfs/dbraw/zinc/94/02/59/1307940259.db2.gz XAZYSOOQMZINRP-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938301 1307940262 /nfs/dbraw/zinc/94/02/62/1307940262.db2.gz XAZYSOOQMZINRP-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938276 1307940352 /nfs/dbraw/zinc/94/03/52/1307940352.db2.gz WKENKYWGPDVBHW-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045938276 1307940355 /nfs/dbraw/zinc/94/03/55/1307940355.db2.gz WKENKYWGPDVBHW-ICSRJNTNSA-N 1 3 333.520 2.750 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045943062 1307956407 /nfs/dbraw/zinc/95/64/07/1307956407.db2.gz FVNCWNCWQVERRN-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045943062 1307956410 /nfs/dbraw/zinc/95/64/10/1307956410.db2.gz FVNCWNCWQVERRN-FPOVZHCZSA-N 1 3 345.531 2.587 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943893 1307958761 /nfs/dbraw/zinc/95/87/61/1307958761.db2.gz QVNYANRVSNOEJN-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943893 1307958764 /nfs/dbraw/zinc/95/87/64/1307958764.db2.gz QVNYANRVSNOEJN-ICSRJNTNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943768 1307959779 /nfs/dbraw/zinc/95/97/79/1307959779.db2.gz OMPGSOWQNVEXPB-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943768 1307959782 /nfs/dbraw/zinc/95/97/82/1307959782.db2.gz OMPGSOWQNVEXPB-FQEVSTJZSA-N 1 3 333.520 2.751 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945163 1307963242 /nfs/dbraw/zinc/96/32/42/1307963242.db2.gz NUEVKUWBHCAZHS-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001045945163 1307963245 /nfs/dbraw/zinc/96/32/45/1307963245.db2.gz NUEVKUWBHCAZHS-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947582 1307970046 /nfs/dbraw/zinc/97/00/46/1307970046.db2.gz MTDJBBCKRRFJKU-QUCCMNQESA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001045947582 1307970052 /nfs/dbraw/zinc/97/00/52/1307970052.db2.gz MTDJBBCKRRFJKU-QUCCMNQESA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966034 1308021351 /nfs/dbraw/zinc/02/13/51/1308021351.db2.gz YDUZJHGHHOSHRA-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966034 1308021357 /nfs/dbraw/zinc/02/13/57/1308021357.db2.gz YDUZJHGHHOSHRA-QUCCMNQESA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966035 1308021828 /nfs/dbraw/zinc/02/18/28/1308021828.db2.gz YDUZJHGHHOSHRA-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966035 1308021836 /nfs/dbraw/zinc/02/18/36/1308021836.db2.gz YDUZJHGHHOSHRA-UYAOXDASSA-N 1 3 335.536 2.853 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001045986540 1308088327 /nfs/dbraw/zinc/08/83/27/1308088327.db2.gz TXPRVDAGQOUYDE-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001045986540 1308088334 /nfs/dbraw/zinc/08/83/34/1308088334.db2.gz TXPRVDAGQOUYDE-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C[NH2+]Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001242991266 1314250735 /nfs/dbraw/zinc/25/07/35/1314250735.db2.gz ATVUTUGOPYJTLC-OAHLLOKOSA-N 1 3 338.411 2.812 20 30 EFEDHO C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046619691 1308940111 /nfs/dbraw/zinc/94/01/11/1308940111.db2.gz YPSPGXUAMKBXDB-FQEVSTJZSA-N 1 3 329.488 2.561 20 30 EFEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701373 1314310708 /nfs/dbraw/zinc/31/07/08/1314310708.db2.gz FCLQZHFENHKVEX-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701373 1314310712 /nfs/dbraw/zinc/31/07/12/1314310712.db2.gz FCLQZHFENHKVEX-LPHOPBHVSA-N 1 3 339.499 2.746 20 30 EFEDHO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046996815 1309886737 /nfs/dbraw/zinc/88/67/37/1309886737.db2.gz XQUPSRTXIRKSOW-JKSUJKDBSA-N 1 3 343.462 2.510 20 30 EFEDHO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046996815 1309886744 /nfs/dbraw/zinc/88/67/44/1309886744.db2.gz XQUPSRTXIRKSOW-JKSUJKDBSA-N 1 3 343.462 2.510 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047244471 1310400635 /nfs/dbraw/zinc/40/06/35/1310400635.db2.gz SIHADOJNDARQLQ-IBGZPJMESA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047256064 1310429449 /nfs/dbraw/zinc/42/94/49/1310429449.db2.gz GATDAUIUIPCVES-QUCCMNQESA-N 1 3 347.547 2.855 20 30 EFEDHO C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256062 1310429497 /nfs/dbraw/zinc/42/94/97/1310429497.db2.gz GATDAUIUIPCVES-AZUAARDMSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)CC1 ZINC001047256379 1310430518 /nfs/dbraw/zinc/43/05/18/1310430518.db2.gz JXLSHYCXLZGQEW-MOPGFXCFSA-N 1 3 335.536 2.853 20 30 EFEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945323 1311058547 /nfs/dbraw/zinc/05/85/47/1311058547.db2.gz KIODMFLYGBVLNF-BZUAXINKSA-N 1 3 330.476 2.575 20 30 EFEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945323 1311058551 /nfs/dbraw/zinc/05/85/51/1311058551.db2.gz KIODMFLYGBVLNF-BZUAXINKSA-N 1 3 330.476 2.575 20 30 EFEDHO C=CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001099490169 1311097455 /nfs/dbraw/zinc/09/74/55/1311097455.db2.gz QMTCGESUFOEAQA-RNQOJCNYSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001099490169 1311097458 /nfs/dbraw/zinc/09/74/58/1311097458.db2.gz QMTCGESUFOEAQA-RNQOJCNYSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001099491141 1311098010 /nfs/dbraw/zinc/09/80/10/1311098010.db2.gz YTSVOENSMPSAOP-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001099491141 1311098012 /nfs/dbraw/zinc/09/80/12/1311098012.db2.gz YTSVOENSMPSAOP-VJANTYMQSA-N 1 3 345.531 2.606 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001101240041 1311229448 /nfs/dbraw/zinc/22/94/48/1311229448.db2.gz OZCKQJKMDHTQPW-NQIIRXRSSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001101240041 1311229450 /nfs/dbraw/zinc/22/94/50/1311229450.db2.gz OZCKQJKMDHTQPW-NQIIRXRSSA-N 1 3 347.547 2.997 20 30 EFEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC1CC(C#N)C1 ZINC001227160936 1311769959 /nfs/dbraw/zinc/76/99/59/1311769959.db2.gz PARZYDHUGDOKSB-UHFFFAOYSA-N 1 3 344.503 2.552 20 30 EFEDHO C=CCN1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787445 1311781561 /nfs/dbraw/zinc/78/15/61/1311781561.db2.gz OADGTDQUIJULJJ-UHFFFAOYSA-N 1 3 333.520 2.823 20 30 EFEDHO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048527786 1311863982 /nfs/dbraw/zinc/86/39/82/1311863982.db2.gz UOVPUDBYNVUWQY-FCGDIQPGSA-N 1 3 333.520 2.795 20 30 EFEDHO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048527786 1311863984 /nfs/dbraw/zinc/86/39/84/1311863984.db2.gz UOVPUDBYNVUWQY-FCGDIQPGSA-N 1 3 333.520 2.795 20 30 EFEDHO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572626 1311920984 /nfs/dbraw/zinc/92/09/84/1311920984.db2.gz PCPMPQZZEHFGRV-YRPNKDGESA-N 1 3 345.531 2.632 20 30 EFEDHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572626 1311920986 /nfs/dbraw/zinc/92/09/86/1311920986.db2.gz PCPMPQZZEHFGRV-YRPNKDGESA-N 1 3 345.531 2.632 20 30 EFEDHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001048584253 1311933917 /nfs/dbraw/zinc/93/39/17/1311933917.db2.gz XORPLAOEYOZTHF-IYWMVGAKSA-N 1 3 345.531 2.633 20 30 EFEDHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCCN1CCCC)C2 ZINC001048584253 1311933922 /nfs/dbraw/zinc/93/39/22/1311933922.db2.gz XORPLAOEYOZTHF-IYWMVGAKSA-N 1 3 345.531 2.633 20 30 EFEDHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C#N)c1 ZINC000902796889 1312115465 /nfs/dbraw/zinc/11/54/65/1312115465.db2.gz RKWKTQQGWXONHI-IBGZPJMESA-N 1 3 342.487 2.542 20 30 EFEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1CCCC ZINC001229615408 1312120148 /nfs/dbraw/zinc/12/01/48/1312120148.db2.gz JKIHGBUPDAJTGH-GUDVDZBRSA-N 1 3 333.520 2.681 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)N(C)CC ZINC001162850773 1312189792 /nfs/dbraw/zinc/18/97/92/1312189792.db2.gz QZOWGGWMGRNHTG-UHFFFAOYSA-N 1 3 345.531 2.954 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001162919678 1312203881 /nfs/dbraw/zinc/20/38/81/1312203881.db2.gz YTCBNVOSBBMWML-HXUWFJFHSA-N 1 3 345.531 2.810 20 30 EFEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162929260 1312205923 /nfs/dbraw/zinc/20/59/23/1312205923.db2.gz UUQCNPCVAUDHPF-LJQANCHMSA-N 1 3 343.515 2.708 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001015603269 1312209063 /nfs/dbraw/zinc/20/90/63/1312209063.db2.gz QJSFNWYWCHHPIU-MJGOQNOKSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC001015603269 1312209066 /nfs/dbraw/zinc/20/90/66/1312209066.db2.gz QJSFNWYWCHHPIU-MJGOQNOKSA-N 1 3 333.520 2.940 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCCC)CC1 ZINC001230251860 1312211205 /nfs/dbraw/zinc/21/12/05/1312211205.db2.gz NCRZUDDNWQQTOI-RTBURBONSA-N 1 3 333.520 2.539 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001230266534 1312212559 /nfs/dbraw/zinc/21/25/59/1312212559.db2.gz MNLYGMCYCDDGNO-HZPDHXFCSA-N 1 3 327.900 2.632 20 30 EFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001230286847 1312216152 /nfs/dbraw/zinc/21/61/52/1312216152.db2.gz UAMIWJYCVSYKDS-ZACQAIPSSA-N 1 3 341.927 2.876 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537378 1312260095 /nfs/dbraw/zinc/26/00/95/1312260095.db2.gz FYWWRYJTNTXQSY-RBUKOAKNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537378 1312260099 /nfs/dbraw/zinc/26/00/99/1312260099.db2.gz FYWWRYJTNTXQSY-RBUKOAKNSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001230598101 1312278402 /nfs/dbraw/zinc/27/84/02/1312278402.db2.gz FKTLAYMAKFIHMW-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001230598101 1312278406 /nfs/dbraw/zinc/27/84/06/1312278406.db2.gz FKTLAYMAKFIHMW-UYAOXDASSA-N 1 3 347.547 2.997 20 30 EFEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230605459 1312280768 /nfs/dbraw/zinc/28/07/68/1312280768.db2.gz NQAYMWGFVBCGIG-IBGZPJMESA-N 1 3 347.547 2.691 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230605459 1312280771 /nfs/dbraw/zinc/28/07/71/1312280771.db2.gz NQAYMWGFVBCGIG-IBGZPJMESA-N 1 3 347.547 2.691 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611356 1312283205 /nfs/dbraw/zinc/28/32/05/1312283205.db2.gz RBLWGLCWWPVGGW-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230611356 1312283208 /nfs/dbraw/zinc/28/32/08/1312283208.db2.gz RBLWGLCWWPVGGW-IBGZPJMESA-N 1 3 335.536 2.997 20 30 EFEDHO C[NH+]1CCC(CN2CCN(Cc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001232118447 1312628618 /nfs/dbraw/zinc/62/86/18/1312628618.db2.gz MLPSRPRESWMCGQ-UHFFFAOYSA-N 1 3 346.906 2.671 20 30 EFEDHO C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165484476 1312636270 /nfs/dbraw/zinc/63/62/70/1312636270.db2.gz FEWJDMAQFIMQBE-GOSISDBHSA-N 1 3 335.536 2.949 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCC=C)C[C@H]2C)CC1 ZINC001211307277 1314472693 /nfs/dbraw/zinc/47/26/93/1314472693.db2.gz QUICYBCJFSYBNU-UYAOXDASSA-N 1 3 345.531 2.515 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCC=C)C[C@H]2C)CC1 ZINC001211307277 1314472697 /nfs/dbraw/zinc/47/26/97/1314472697.db2.gz QUICYBCJFSYBNU-UYAOXDASSA-N 1 3 345.531 2.515 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211367388 1314485458 /nfs/dbraw/zinc/48/54/58/1314485458.db2.gz SAMHJZRCHXZDOF-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211367388 1314485460 /nfs/dbraw/zinc/48/54/60/1314485460.db2.gz SAMHJZRCHXZDOF-QRVBRYPASA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374948 1314487510 /nfs/dbraw/zinc/48/75/10/1314487510.db2.gz UJRAGYQPEFXQNU-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374948 1314487512 /nfs/dbraw/zinc/48/75/12/1314487512.db2.gz UJRAGYQPEFXQNU-GUDVDZBRSA-N 1 3 335.536 2.900 20 30 EFEDHO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052989445 1314545692 /nfs/dbraw/zinc/54/56/92/1314545692.db2.gz FWCPBKWALGMGEO-HDICACEKSA-N 1 3 333.520 2.748 20 30 EFEDHO CCCCCCCCCCCC[C@H](O)CNC[C@H]1C[NH2+]CCN1 ZINC001246017194 1314567172 /nfs/dbraw/zinc/56/71/72/1314567172.db2.gz WVBHMADJPBTQNR-MOPGFXCFSA-N 1 3 327.557 2.809 20 30 EFEDHO CCCCCCCCCCCC[C@@H](O)CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246021076 1314567638 /nfs/dbraw/zinc/56/76/38/1314567638.db2.gz LDGHFJAOBYIXEJ-OTWHNJEPSA-N 1 3 328.541 2.910 20 30 EFEDHO CCCCCCCC[C@@H](O)CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246025193 1314569326 /nfs/dbraw/zinc/56/93/26/1314569326.db2.gz GLTFQCTZMGEKLW-MOPGFXCFSA-N 1 3 325.541 2.515 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027850 1314598013 /nfs/dbraw/zinc/59/80/13/1314598013.db2.gz IDGZCDOXMQFSDS-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027850 1314598018 /nfs/dbraw/zinc/59/80/18/1314598018.db2.gz IDGZCDOXMQFSDS-QZTJIDSGSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029493 1314603259 /nfs/dbraw/zinc/60/32/59/1314603259.db2.gz SOQIVQOSPRTXAO-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029493 1314603261 /nfs/dbraw/zinc/60/32/61/1314603261.db2.gz SOQIVQOSPRTXAO-MOPGFXCFSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029499 1314603339 /nfs/dbraw/zinc/60/33/39/1314603339.db2.gz SOQIVQOSPRTXAO-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029499 1314603343 /nfs/dbraw/zinc/60/33/43/1314603343.db2.gz SOQIVQOSPRTXAO-RTBURBONSA-N 1 3 347.547 2.997 20 30 EFEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@@H]3CC[NH2+][C@@H](C(C)C)C3)C2)C1 ZINC001246551997 1314647180 /nfs/dbraw/zinc/64/71/80/1314647180.db2.gz UBUVYUZRMXIQDN-QWFCFKBJSA-N 1 3 349.519 2.874 20 30 EFEDHO CCCCCCCCC[C@@H](C)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630086 1314660222 /nfs/dbraw/zinc/66/02/22/1314660222.db2.gz RLBSAMJYSRQJQR-YLJYHZDGSA-N 1 3 335.536 2.927 20 30 EFEDHO CCCCCCCCC[C@@H](C)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246630086 1314660225 /nfs/dbraw/zinc/66/02/25/1314660225.db2.gz RLBSAMJYSRQJQR-YLJYHZDGSA-N 1 3 335.536 2.927 20 30 EFEDHO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088426 1314695645 /nfs/dbraw/zinc/69/56/45/1314695645.db2.gz VCDTVPTVAYJBGB-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053088426 1314695650 /nfs/dbraw/zinc/69/56/50/1314695650.db2.gz VCDTVPTVAYJBGB-MJGOQNOKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098370 1314712469 /nfs/dbraw/zinc/71/24/69/1314712469.db2.gz MWPLYZIXIMBQOX-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053098370 1314712473 /nfs/dbraw/zinc/71/24/73/1314712473.db2.gz MWPLYZIXIMBQOX-FUHWJXTLSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099766 1314715627 /nfs/dbraw/zinc/71/56/27/1314715627.db2.gz YTTRKWNDLSKOBR-AEFFLSMTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099766 1314715630 /nfs/dbraw/zinc/71/56/30/1314715630.db2.gz YTTRKWNDLSKOBR-AEFFLSMTSA-N 1 3 330.476 2.621 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038624006 1315049053 /nfs/dbraw/zinc/04/90/53/1315049053.db2.gz RQCNPGVIHJFYGN-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038624006 1315049058 /nfs/dbraw/zinc/04/90/58/1315049058.db2.gz RQCNPGVIHJFYGN-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218542679 1315212965 /nfs/dbraw/zinc/21/29/65/1315212965.db2.gz WIADTTINNYWXBK-ZDUSSCGKSA-N 1 3 346.431 2.821 20 30 EFEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054133198 1315343083 /nfs/dbraw/zinc/34/30/83/1315343083.db2.gz XZIYOPOTGWGDEM-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054133198 1315343088 /nfs/dbraw/zinc/34/30/88/1315343088.db2.gz XZIYOPOTGWGDEM-OAQYLSRUSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197535 1315441328 /nfs/dbraw/zinc/44/13/28/1315441328.db2.gz YOMFHRLHHFRFEA-NRFANRHFSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054197535 1315441330 /nfs/dbraw/zinc/44/13/30/1315441330.db2.gz YOMFHRLHHFRFEA-NRFANRHFSA-N 1 3 347.547 2.999 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197793 1315442185 /nfs/dbraw/zinc/44/21/85/1315442185.db2.gz ISFWJCHAJTUHSN-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054197793 1315442187 /nfs/dbraw/zinc/44/21/87/1315442187.db2.gz ISFWJCHAJTUHSN-AZUAARDMSA-N 1 3 333.520 2.609 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001054226796 1315484680 /nfs/dbraw/zinc/48/46/80/1315484680.db2.gz ZRCYQXSANACRQU-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226796 1315484681 /nfs/dbraw/zinc/48/46/81/1315484681.db2.gz ZRCYQXSANACRQU-PZJWPPBQSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159542 1315555711 /nfs/dbraw/zinc/55/57/11/1315555711.db2.gz QSYCFFZARWPCJR-IRXDYDNUSA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC001039159542 1315555716 /nfs/dbraw/zinc/55/57/16/1315555716.db2.gz QSYCFFZARWPCJR-IRXDYDNUSA-N 1 3 341.927 2.640 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039163886 1315562835 /nfs/dbraw/zinc/56/28/35/1315562835.db2.gz BTQDKIPOEWELBE-HXUWFJFHSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039163886 1315562837 /nfs/dbraw/zinc/56/28/37/1315562837.db2.gz BTQDKIPOEWELBE-HXUWFJFHSA-N 1 3 347.547 2.855 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165062 1315563744 /nfs/dbraw/zinc/56/37/44/1315563744.db2.gz NIISCAYSUAYGSG-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165062 1315563749 /nfs/dbraw/zinc/56/37/49/1315563749.db2.gz NIISCAYSUAYGSG-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165424 1315565724 /nfs/dbraw/zinc/56/57/24/1315565724.db2.gz PVVKNLBHAHCDJZ-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165424 1315565726 /nfs/dbraw/zinc/56/57/26/1315565726.db2.gz PVVKNLBHAHCDJZ-IEBWSBKVSA-N 1 3 333.520 2.607 20 30 EFEDHO Cc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1C#N ZINC001278701279 1315576161 /nfs/dbraw/zinc/57/61/61/1315576161.db2.gz XVVQXLHAOFFBEP-UHFFFAOYSA-N 1 3 349.482 2.661 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173504 1315578111 /nfs/dbraw/zinc/57/81/11/1315578111.db2.gz XZQAGAVNIPWCAW-IBGZPJMESA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173504 1315578114 /nfs/dbraw/zinc/57/81/14/1315578114.db2.gz XZQAGAVNIPWCAW-IBGZPJMESA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179613 1315586457 /nfs/dbraw/zinc/58/64/57/1315586457.db2.gz BXDQUBFWEITQQX-MOPGFXCFSA-N 1 3 335.536 2.709 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179613 1315586459 /nfs/dbraw/zinc/58/64/59/1315586459.db2.gz BXDQUBFWEITQQX-MOPGFXCFSA-N 1 3 335.536 2.709 20 30 EFEDHO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039183133 1315591825 /nfs/dbraw/zinc/59/18/25/1315591825.db2.gz WSGCRRLZGJFNDF-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039183133 1315591828 /nfs/dbraw/zinc/59/18/28/1315591828.db2.gz WSGCRRLZGJFNDF-RBUKOAKNSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228597 1315650959 /nfs/dbraw/zinc/65/09/59/1315650959.db2.gz GJLWBRQANPREMP-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228597 1315650963 /nfs/dbraw/zinc/65/09/63/1315650963.db2.gz GJLWBRQANPREMP-ZWKOTPCHSA-N 1 3 333.520 2.607 20 30 EFEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254040409 1315668795 /nfs/dbraw/zinc/66/87/95/1315668795.db2.gz SNUQYDBPBYYXPP-OWZKRDHZSA-N 1 3 339.483 2.780 20 30 EFEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254040409 1315668797 /nfs/dbraw/zinc/66/87/97/1315668797.db2.gz SNUQYDBPBYYXPP-OWZKRDHZSA-N 1 3 339.483 2.780 20 30 EFEDHO C=CCOC(=O)N1CCC(C[NH2+][C@H](C)CCN(CC)CC)CC1 ZINC001255950897 1315883785 /nfs/dbraw/zinc/88/37/85/1315883785.db2.gz FCSHSXYVHPTWLZ-MRXNPFEDSA-N 1 3 325.497 2.731 20 30 EFEDHO C[C@@H]1C[C@H](NC(=N)c2ccc(F)cn2)CC[N@@H+]1Cc1ccccc1 ZINC001256528294 1315952160 /nfs/dbraw/zinc/95/21/60/1315952160.db2.gz YZCIEQZBFSKANO-RHSMWYFYSA-N 1 3 326.419 2.979 20 30 EFEDHO C[C@@H]1C[C@H](NC(=N)c2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC001256528294 1315952162 /nfs/dbraw/zinc/95/21/62/1315952162.db2.gz YZCIEQZBFSKANO-RHSMWYFYSA-N 1 3 326.419 2.979 20 30 EFEDHO [NH2+]=C(NC1CCC(N2CCOCC2)CC1)c1ccc2ccccc2n1 ZINC001256683979 1315981483 /nfs/dbraw/zinc/98/14/83/1315981483.db2.gz JVQCDXMBGXVELD-UHFFFAOYSA-N 1 3 338.455 2.584 20 30 EFEDHO C=CCOC(=O)N1CCC[C@]2(CCN(C3CC[NH+](CCC)CC3)C2)C1 ZINC001258771711 1316176829 /nfs/dbraw/zinc/17/68/29/1316176829.db2.gz QGGMXAIBDYWTLF-HXUWFJFHSA-N 1 3 349.519 2.971 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396112 1316241826 /nfs/dbraw/zinc/24/18/26/1316241826.db2.gz SBIKUEQPNNWSNY-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396112 1316241829 /nfs/dbraw/zinc/24/18/29/1316241829.db2.gz SBIKUEQPNNWSNY-ICSRJNTNSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433567 1316263567 /nfs/dbraw/zinc/26/35/67/1316263567.db2.gz XJGWXDFMKMZJPX-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001040433567 1316263571 /nfs/dbraw/zinc/26/35/71/1316263571.db2.gz XJGWXDFMKMZJPX-PZJWPPBQSA-N 1 3 345.531 2.587 20 30 EFEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001040487719 1316289440 /nfs/dbraw/zinc/28/94/40/1316289440.db2.gz GNAZEIRBSJSWAY-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040487719 1316289444 /nfs/dbraw/zinc/28/94/44/1316289444.db2.gz GNAZEIRBSJSWAY-TZIWHRDSSA-N 1 3 345.531 2.589 20 30 EFEDHO C=C(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847476 1316388210 /nfs/dbraw/zinc/38/82/10/1316388210.db2.gz QDHFPIXCAHAYLG-UHFFFAOYSA-N 1 3 333.520 2.609 20 30 EFEDHO CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782184 1316696637 /nfs/dbraw/zinc/69/66/37/1316696637.db2.gz SMQFBSALZVWMRN-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782184 1316696640 /nfs/dbraw/zinc/69/66/40/1316696640.db2.gz SMQFBSALZVWMRN-FPOVZHCZSA-N 1 3 345.531 2.589 20 30 EFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062887 1316852691 /nfs/dbraw/zinc/85/26/91/1316852691.db2.gz PCJJOGMYQNGHTN-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042062887 1316852693 /nfs/dbraw/zinc/85/26/93/1316852693.db2.gz PCJJOGMYQNGHTN-MSOLQXFVSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042315026 1317138976 /nfs/dbraw/zinc/13/89/76/1317138976.db2.gz YRAVAEOOMNNAEN-JKSUJKDBSA-N 1 3 330.476 2.576 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042315026 1317138984 /nfs/dbraw/zinc/13/89/84/1317138984.db2.gz YRAVAEOOMNNAEN-JKSUJKDBSA-N 1 3 330.476 2.576 20 30 EFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368126 1317223755 /nfs/dbraw/zinc/22/37/55/1317223755.db2.gz ODHCINKOBPYDJU-XLIONFOSSA-N 1 3 341.499 2.861 20 30 EFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042368126 1317223762 /nfs/dbraw/zinc/22/37/62/1317223762.db2.gz ODHCINKOBPYDJU-XLIONFOSSA-N 1 3 341.499 2.861 20 30 EFEDHO N#CCc1ccccc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001279376352 1317250401 /nfs/dbraw/zinc/25/04/01/1317250401.db2.gz VNNZIVQXNHDOEY-UHFFFAOYSA-N 1 3 349.482 2.964 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001340089915 1332137859 /nfs/dbraw/zinc/13/78/59/1332137859.db2.gz HFKVJLQLDAMCBM-RBUKOAKNSA-N 1 3 329.488 2.651 20 30 EFEDHO C=CCCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340089915 1332137862 /nfs/dbraw/zinc/13/78/62/1332137862.db2.gz HFKVJLQLDAMCBM-RBUKOAKNSA-N 1 3 329.488 2.651 20 30 EFEDHO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001341072297 1332231401 /nfs/dbraw/zinc/23/14/01/1332231401.db2.gz OIMROIRRZCRGBW-OALUTQOASA-N 1 3 345.487 2.632 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341616446 1332271455 /nfs/dbraw/zinc/27/14/55/1332271455.db2.gz YTTUIMMSEKGXRG-NEWSRXKRSA-N 1 3 329.488 2.697 20 30 EFEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001341616446 1332271456 /nfs/dbraw/zinc/27/14/56/1332271456.db2.gz YTTUIMMSEKGXRG-NEWSRXKRSA-N 1 3 329.488 2.697 20 30 EFEDHO CC[C@@H](C#N)Oc1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000848532804 1334780056 /nfs/dbraw/zinc/78/00/56/1334780056.db2.gz BAIUXLDWSDTTTO-OALUTQOASA-N 1 3 343.471 2.710 20 30 EFEDHO CCCCCCCC[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001357444636 1335308028 /nfs/dbraw/zinc/30/80/28/1335308028.db2.gz HVQFEQUXBGMLLD-NVXWUHKLSA-N 1 3 332.492 2.914 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001374571765 1342083772 /nfs/dbraw/zinc/08/37/72/1342083772.db2.gz RTJXMEXBVDBVRW-ROUUACIJSA-N 1 3 349.906 2.989 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377602210 1344208992 /nfs/dbraw/zinc/20/89/92/1344208992.db2.gz BYYKGNYZHWPUJN-GDBMZVCRSA-N 1 3 329.916 2.542 20 30 EFEDHO C=C(Cl)CN[C@H](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001390683100 1354275594 /nfs/dbraw/zinc/27/55/94/1354275594.db2.gz BDTMHBFARFCKKI-OAHLLOKOSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001394833399 1358133348 /nfs/dbraw/zinc/13/33/48/1358133348.db2.gz JXYGHUBSDKRZQM-INIZCTEOSA-N 1 3 343.943 2.980 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H](C)C1 ZINC001402064559 1363371170 /nfs/dbraw/zinc/37/11/70/1363371170.db2.gz ZMHNBNLPQNORTN-GJZGRUSLSA-N 1 3 329.916 2.686 20 30 EFEDHO C=C(Cl)CN[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001406077147 1367191155 /nfs/dbraw/zinc/19/11/55/1367191155.db2.gz LUKHZLGMZRNLQI-QGZVFWFLSA-N 1 3 337.895 2.845 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001407552458 1368976044 /nfs/dbraw/zinc/97/60/44/1368976044.db2.gz UCPFFCXVPAXPOG-GJZGRUSLSA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001407552449 1368976740 /nfs/dbraw/zinc/97/67/40/1368976740.db2.gz UCPFFCXVPAXPOG-CABCVRRESA-N 1 3 329.916 2.543 20 30 EFEDHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001407556767 1368983210 /nfs/dbraw/zinc/98/32/10/1368983210.db2.gz USGMDYGWJXPVEL-YVSFHVDLSA-N 1 3 341.927 2.684 20 30 EFEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419831254 1375952414 /nfs/dbraw/zinc/95/24/14/1375952414.db2.gz NQVDLNPABBUUCI-JKSUJKDBSA-N 1 3 343.943 2.934 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001421580099 1378842086 /nfs/dbraw/zinc/84/20/86/1378842086.db2.gz RTFJMENJEUXMPH-PBHICJAKSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001421580099 1378842090 /nfs/dbraw/zinc/84/20/90/1378842090.db2.gz RTFJMENJEUXMPH-PBHICJAKSA-N 1 3 329.916 2.735 20 30 EFEDHO C=C(Cl)CNC[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001423478048 1381972312 /nfs/dbraw/zinc/97/23/12/1381972312.db2.gz BCCSGOVZYLLTQB-QGZVFWFLSA-N 1 3 335.879 2.695 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001425963302 1383902621 /nfs/dbraw/zinc/90/26/21/1383902621.db2.gz VGJRCWVUHLPEKJ-HUUCEWRRSA-N 1 3 329.916 2.591 20 30 EFEDHO C=C(Cl)CNC[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001439503196 1389300066 /nfs/dbraw/zinc/30/00/66/1389300066.db2.gz YZYVWBMESIZFFX-QGZVFWFLSA-N 1 3 335.879 2.599 20 30 EFEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001440222734 1389452965 /nfs/dbraw/zinc/45/29/65/1389452965.db2.gz YSYMWZVGXTVFDJ-BRWVUGGUSA-N 1 3 341.927 2.876 20 30 EFEDHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001699785208 1417468690 /nfs/dbraw/zinc/46/86/90/1417468690.db2.gz HSTYIGUAGIAMBK-HXUWFJFHSA-N 1 3 345.531 2.753 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2C[C@H](C)CC)CC1 ZINC000969156335 712944865 /nfs/dbraw/zinc/94/48/65/712944865.db2.gz PVYYZNOZGKAIIA-UYAOXDASSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2C[C@H](C)CC)CC1 ZINC000969156335 712944867 /nfs/dbraw/zinc/94/48/67/712944867.db2.gz PVYYZNOZGKAIIA-UYAOXDASSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2C[C@@H](C)CC)CC1 ZINC000969156332 712944889 /nfs/dbraw/zinc/94/48/89/712944889.db2.gz PVYYZNOZGKAIIA-AZUAARDMSA-N 1 3 347.547 2.739 20 30 EFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC000969156332 712944890 /nfs/dbraw/zinc/94/48/90/712944890.db2.gz PVYYZNOZGKAIIA-AZUAARDMSA-N 1 3 347.547 2.739 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001020906690 713435357 /nfs/dbraw/zinc/43/53/57/713435357.db2.gz IHGDCNDAWVIXDJ-BZUAXINKSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020906690 713435358 /nfs/dbraw/zinc/43/53/58/713435358.db2.gz IHGDCNDAWVIXDJ-BZUAXINKSA-N 1 3 327.900 2.630 20 30 EFEDHO CC(C)OCC[NH+]1CCC(NCc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000176748449 715840050 /nfs/dbraw/zinc/84/00/50/715840050.db2.gz DDSAIRBZWKMLBR-QGZVFWFLSA-N 1 3 345.487 2.956 20 30 EFEDHO C=C(C)CN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977334206 716096900 /nfs/dbraw/zinc/09/69/00/716096900.db2.gz KIBJZJPHEKICAA-GOSISDBHSA-N 1 3 329.488 2.765 20 30 EFEDHO C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038707766 716133843 /nfs/dbraw/zinc/13/38/43/716133843.db2.gz YBYYDQZDVGFXOM-LJQANCHMSA-N 1 3 329.488 2.561 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692622 716541770 /nfs/dbraw/zinc/54/17/70/716541770.db2.gz MGSBZFNTBUFKML-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692622 716541775 /nfs/dbraw/zinc/54/17/75/716541775.db2.gz MGSBZFNTBUFKML-GOSISDBHSA-N 1 3 329.488 2.861 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576949 716701967 /nfs/dbraw/zinc/70/19/67/716701967.db2.gz APAKATBRDYJSLI-APWZRJJASA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576949 716701971 /nfs/dbraw/zinc/70/19/71/716701971.db2.gz APAKATBRDYJSLI-APWZRJJASA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576952 716701993 /nfs/dbraw/zinc/70/19/93/716701993.db2.gz APAKATBRDYJSLI-VQIMIIECSA-N 1 3 339.499 2.698 20 30 EFEDHO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576952 716701996 /nfs/dbraw/zinc/70/19/96/716701996.db2.gz APAKATBRDYJSLI-VQIMIIECSA-N 1 3 339.499 2.698 20 30 EFEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814043 718174437 /nfs/dbraw/zinc/17/44/37/718174437.db2.gz NETXVKJXEPXAKT-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814043 718174438 /nfs/dbraw/zinc/17/44/38/718174438.db2.gz NETXVKJXEPXAKT-GOSISDBHSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259652 718476202 /nfs/dbraw/zinc/47/62/02/718476202.db2.gz SKYCNEACMLWMMI-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)N1CCCC1 ZINC001025259652 718476203 /nfs/dbraw/zinc/47/62/03/718476203.db2.gz SKYCNEACMLWMMI-ZWKOTPCHSA-N 1 3 333.520 2.892 20 30 EFEDHO CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025260582 718488123 /nfs/dbraw/zinc/48/81/23/718488123.db2.gz YNDCDUYOSJPVOX-RBUKOAKNSA-N 1 3 345.531 2.730 20 30 EFEDHO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287068 718523146 /nfs/dbraw/zinc/52/31/46/718523146.db2.gz BTIKDTHFBHHXID-IAGOWNOFSA-N 1 3 342.487 2.556 20 30 EFEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025287068 718523149 /nfs/dbraw/zinc/52/31/49/718523149.db2.gz BTIKDTHFBHHXID-IAGOWNOFSA-N 1 3 342.487 2.556 20 30 EFEDHO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000981270624 718583141 /nfs/dbraw/zinc/58/31/41/718583141.db2.gz JCNWQAJZGHJGAA-LSDHHAIUSA-N 1 3 327.900 2.630 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094450 718727491 /nfs/dbraw/zinc/72/74/91/718727491.db2.gz ZVAUIKTUTBUMSA-RTBURBONSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094450 718727495 /nfs/dbraw/zinc/72/74/95/718727495.db2.gz ZVAUIKTUTBUMSA-RTBURBONSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094449 718727600 /nfs/dbraw/zinc/72/76/00/718727600.db2.gz ZVAUIKTUTBUMSA-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094449 718727605 /nfs/dbraw/zinc/72/76/05/718727605.db2.gz ZVAUIKTUTBUMSA-RBUKOAKNSA-N 1 3 333.520 2.940 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000981538716 718797749 /nfs/dbraw/zinc/79/77/49/718797749.db2.gz RQNSTHIJVQPUOC-RTBURBONSA-N 1 3 329.488 2.955 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000981768919 719027813 /nfs/dbraw/zinc/02/78/13/719027813.db2.gz VJWCJIJAWZDBMD-SFHVURJKSA-N 1 3 345.531 2.751 20 30 EFEDHO C=CCN1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000981768919 719027818 /nfs/dbraw/zinc/02/78/18/719027818.db2.gz VJWCJIJAWZDBMD-SFHVURJKSA-N 1 3 345.531 2.751 20 30 EFEDHO C=CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981769147 719029132 /nfs/dbraw/zinc/02/91/32/719029132.db2.gz ZIHVJNFFSPSDOB-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981769147 719029136 /nfs/dbraw/zinc/02/91/36/719029136.db2.gz ZIHVJNFFSPSDOB-UHFFFAOYSA-N 1 3 333.520 2.751 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC(C)C)C2)CC1 ZINC001025627683 719248710 /nfs/dbraw/zinc/24/87/10/719248710.db2.gz AWVSEDNQSOKNPZ-UYAOXDASSA-N 1 3 347.547 2.594 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001025627683 719248712 /nfs/dbraw/zinc/24/87/12/719248712.db2.gz AWVSEDNQSOKNPZ-UYAOXDASSA-N 1 3 347.547 2.594 20 30 EFEDHO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630941 719258691 /nfs/dbraw/zinc/25/86/91/719258691.db2.gz XDEVIKGXTILSIX-ROUUACIJSA-N 1 3 341.499 2.602 20 30 EFEDHO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025630941 719258692 /nfs/dbraw/zinc/25/86/92/719258692.db2.gz XDEVIKGXTILSIX-ROUUACIJSA-N 1 3 341.499 2.602 20 30 EFEDHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052439 719506916 /nfs/dbraw/zinc/50/69/16/719506916.db2.gz KHWSHIPOJBAWIH-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052439 719506919 /nfs/dbraw/zinc/50/69/19/719506919.db2.gz KHWSHIPOJBAWIH-SFHVURJKSA-N 1 3 333.520 2.750 20 30 EFEDHO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163701 719608868 /nfs/dbraw/zinc/60/88/68/719608868.db2.gz PIUVCWKWCRYXFL-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163701 719608872 /nfs/dbraw/zinc/60/88/72/719608872.db2.gz PIUVCWKWCRYXFL-SFHVURJKSA-N 1 3 333.520 2.751 20 30 EFEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982280578 719790043 /nfs/dbraw/zinc/79/00/43/719790043.db2.gz BQJBRYOPSIDRQV-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982280578 719790046 /nfs/dbraw/zinc/79/00/46/719790046.db2.gz BQJBRYOPSIDRQV-BGYRXZFFSA-N 1 3 333.520 2.607 20 30 EFEDHO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333387 720373203 /nfs/dbraw/zinc/37/32/03/720373203.db2.gz IVKNPVBHQICLRD-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333387 720373207 /nfs/dbraw/zinc/37/32/07/720373207.db2.gz IVKNPVBHQICLRD-SFHVURJKSA-N 1 3 329.488 2.909 20 30 EFEDHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623388 720958708 /nfs/dbraw/zinc/95/87/08/720958708.db2.gz GUGVEZSFSSIFNO-RLLQIKCJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982623388 720958712 /nfs/dbraw/zinc/95/87/12/720958712.db2.gz GUGVEZSFSSIFNO-RLLQIKCJSA-N 1 3 333.520 2.606 20 30 EFEDHO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862406 721484115 /nfs/dbraw/zinc/48/41/15/721484115.db2.gz KAPAYQNZGPADCX-ROUUACIJSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974862406 721484116 /nfs/dbraw/zinc/48/41/16/721484116.db2.gz KAPAYQNZGPADCX-ROUUACIJSA-N 1 3 333.520 2.654 20 30 EFEDHO C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009024 725459861 /nfs/dbraw/zinc/45/98/61/725459861.db2.gz FIOLDUJAUATEAY-WSTZPKSXSA-N 1 3 331.504 2.550 20 30 EFEDHO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009024 725459863 /nfs/dbraw/zinc/45/98/63/725459863.db2.gz FIOLDUJAUATEAY-WSTZPKSXSA-N 1 3 331.504 2.550 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009493 725460135 /nfs/dbraw/zinc/46/01/35/725460135.db2.gz HPOYLDDJLOIEPD-QKNQBKEWSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992009493 725460137 /nfs/dbraw/zinc/46/01/37/725460137.db2.gz HPOYLDDJLOIEPD-QKNQBKEWSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009496 725460236 /nfs/dbraw/zinc/46/02/36/725460236.db2.gz HPOYLDDJLOIEPD-SFHLNBCPSA-N 1 3 345.531 2.940 20 30 EFEDHO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992009496 725460241 /nfs/dbraw/zinc/46/02/41/725460241.db2.gz HPOYLDDJLOIEPD-SFHLNBCPSA-N 1 3 345.531 2.940 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992694186 726115400 /nfs/dbraw/zinc/11/54/00/726115400.db2.gz RGPUSHSQQPQQGO-FGTMMUONSA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992815741 726252871 /nfs/dbraw/zinc/25/28/71/726252871.db2.gz KRNLMYZCFHKDGM-KZNAEPCWSA-N 1 3 333.520 2.511 20 30 EFEDHO C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992929052 726344659 /nfs/dbraw/zinc/34/46/59/726344659.db2.gz DPQVKIGZOHMYHB-YSIASYRMSA-N 1 3 341.499 2.765 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993811540 727528002 /nfs/dbraw/zinc/52/80/02/727528002.db2.gz ZJYFEYZCGJRWDF-FXAWDEMLSA-N 1 3 343.515 2.950 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994007547 727579186 /nfs/dbraw/zinc/57/91/86/727579186.db2.gz PMIJKUVITKADQR-VQIMIIECSA-N 1 3 329.488 2.907 20 30 EFEDHO C=C(C)CN1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994203254 727622273 /nfs/dbraw/zinc/62/22/73/727622273.db2.gz KSLOOBPBRXTSSP-APWZRJJASA-N 1 3 333.520 2.654 20 30 EFEDHO C=C(C)CN1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994203257 727622481 /nfs/dbraw/zinc/62/24/81/727622481.db2.gz KSLOOBPBRXTSSP-QFBILLFUSA-N 1 3 333.520 2.654 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493679 727770727 /nfs/dbraw/zinc/77/07/27/727770727.db2.gz FCIVEUSHRQDTFL-PXNSSMCTSA-N 1 3 347.547 2.737 20 30 EFEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)[C@H]2C)CC1 ZINC000994493679 727770728 /nfs/dbraw/zinc/77/07/28/727770728.db2.gz FCIVEUSHRQDTFL-PXNSSMCTSA-N 1 3 347.547 2.737 20 30 EFEDHO C=CCC[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040947953 728304732 /nfs/dbraw/zinc/30/47/32/728304732.db2.gz JORYXVIEXTZOEO-QZTJIDSGSA-N 1 3 333.520 2.750 20 30 EFEDHO