smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001569437120 1085213539 /nfs/dbraw/zinc/21/35/39/1085213539.db2.gz PRDGZKALEFWOPF-AZUAARDMSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001569451533 1085237048 /nfs/dbraw/zinc/23/70/48/1085237048.db2.gz AXMBMNOJFFDFJH-HXUWFJFHSA-N 2 0 347.547 2.996 10 30 EFEERP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001569466761 1085260945 /nfs/dbraw/zinc/26/09/45/1085260945.db2.gz DYMJLUUDCZVJJQ-NRFANRHFSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001569470627 1085269741 /nfs/dbraw/zinc/26/97/41/1085269741.db2.gz BXWSVUZVYKYAOU-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001569593900 1085417206 /nfs/dbraw/zinc/41/72/06/1085417206.db2.gz OYCOUXNKDOQXBP-UYAOXDASSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CC(C)C)CC1 ZINC001569596031 1085419769 /nfs/dbraw/zinc/41/97/69/1085419769.db2.gz KXXZCFQJGCXYFK-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001569613219 1085439079 /nfs/dbraw/zinc/43/90/79/1085439079.db2.gz BZPUSIDUBGQOFF-WOJBJXKFSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001569706947 1085536463 /nfs/dbraw/zinc/53/64/63/1085536463.db2.gz FBNKYGXZYOLRKQ-UHFFFAOYSA-N 2 0 329.916 2.689 10 30 EFEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569725945 1085563429 /nfs/dbraw/zinc/56/34/29/1085563429.db2.gz KCYDHTZAUKJZMV-QUCCMNQESA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801142 1085616638 /nfs/dbraw/zinc/61/66/38/1085616638.db2.gz YYDOISBRRVOVBL-YVWKXTFCSA-N 2 0 343.515 2.912 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1CC ZINC001569802439 1085619488 /nfs/dbraw/zinc/61/94/88/1085619488.db2.gz VHFLTHFDHZMMIW-FXAWDEMLSA-N 2 0 343.515 2.914 10 30 EFEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001569813919 1085632154 /nfs/dbraw/zinc/63/21/54/1085632154.db2.gz OCLNTIHCSPSHNO-HOCLYGCPSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569826381 1085647506 /nfs/dbraw/zinc/64/75/06/1085647506.db2.gz QYFYSSMQUOANNQ-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCCCCC)C2)CC1 ZINC001569829103 1085651843 /nfs/dbraw/zinc/65/18/43/1085651843.db2.gz SZHFWJMWTGNBPY-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001569858867 1085683421 /nfs/dbraw/zinc/68/34/21/1085683421.db2.gz DIPRUYPUVGWIHF-OKYOBFRVSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001569864300 1085691082 /nfs/dbraw/zinc/69/10/82/1085691082.db2.gz RPOQIEDFBSGSBE-QAQDUYKDSA-N 2 0 340.471 2.955 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001569867305 1085695468 /nfs/dbraw/zinc/69/54/68/1085695468.db2.gz RCCWKHQSNKUEHP-VAMGGRTRSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001569920300 1085769622 /nfs/dbraw/zinc/76/96/22/1085769622.db2.gz YFABYKNEAPHZNL-GBESFXJTSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569989113 1085825103 /nfs/dbraw/zinc/82/51/03/1085825103.db2.gz YPZWJZKYGKRYJZ-IAGOWNOFSA-N 2 0 341.927 2.688 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001570028284 1085877983 /nfs/dbraw/zinc/87/79/83/1085877983.db2.gz QAKJYDDAVQOSOV-UHFFFAOYSA-N 2 0 331.504 2.899 10 30 EFEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001570028205 1085879147 /nfs/dbraw/zinc/87/91/47/1085879147.db2.gz NBBJSWNEZLWIFP-LJQANCHMSA-N 2 0 329.488 2.653 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001570032693 1085886462 /nfs/dbraw/zinc/88/64/62/1085886462.db2.gz AEODYSWWGLKUKB-ZWKOTPCHSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001570043608 1085898255 /nfs/dbraw/zinc/89/82/55/1085898255.db2.gz YIBSSRYGQKFAAH-GUDVDZBRSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001570052096 1085907481 /nfs/dbraw/zinc/90/74/81/1085907481.db2.gz IFGFYLYLGHCXEB-MJGOQNOKSA-N 2 0 345.531 2.607 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570091758 1085941331 /nfs/dbraw/zinc/94/13/31/1085941331.db2.gz CKVPNPJWYJRDNN-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC)CC2)CC1 ZINC001570187096 1086032663 /nfs/dbraw/zinc/03/26/63/1086032663.db2.gz GZBVSMWYOOVAPN-FQEVSTJZSA-N 2 0 347.547 2.883 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]C[C@H](C)CC)CC2)CC1 ZINC001570265569 1086097959 /nfs/dbraw/zinc/09/79/59/1086097959.db2.gz SGGIPFPMBJHTMN-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001570269688 1086107123 /nfs/dbraw/zinc/10/71/23/1086107123.db2.gz ZYYYLYAWHOKCHU-HXUWFJFHSA-N 2 0 343.515 2.838 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641511 1086429891 /nfs/dbraw/zinc/42/98/91/1086429891.db2.gz MTNTWQKYPFJCHV-HZPDHXFCSA-N 2 0 349.906 2.516 10 30 EFEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)c1sccc1C[NH+](C)C ZINC001570675869 1086454683 /nfs/dbraw/zinc/45/46/83/1086454683.db2.gz UCIMVZWOBRRWJI-UHFFFAOYSA-N 2 0 335.517 2.521 10 30 EFEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001570736104 1086490760 /nfs/dbraw/zinc/49/07/60/1086490760.db2.gz QYXIUSSBVSLGNP-MAUKXSAKSA-N 2 0 327.488 2.602 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCCCC)CCCCC2)CC1 ZINC001570806121 1086529529 /nfs/dbraw/zinc/52/95/29/1086529529.db2.gz VSNPCEQKTPLJPG-UHFFFAOYSA-N 2 0 347.547 2.931 10 30 EFEERP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570812345 1086532416 /nfs/dbraw/zinc/53/24/16/1086532416.db2.gz PUOHCNHPYMMTRM-IEBWSBKVSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001570840842 1086559452 /nfs/dbraw/zinc/55/94/52/1086559452.db2.gz AIRZRCVOTOOMNN-QFBILLFUSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001570858103 1086572757 /nfs/dbraw/zinc/57/27/57/1086572757.db2.gz QSUIFIBZPNSQDA-MRXNPFEDSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001570905406 1086606233 /nfs/dbraw/zinc/60/62/33/1086606233.db2.gz SIIKXFDQVHCPEX-WMZOPIPTSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571335885 1086734778 /nfs/dbraw/zinc/73/47/78/1086734778.db2.gz ALCZFGRMKRYUFP-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001571353176 1086749560 /nfs/dbraw/zinc/74/95/60/1086749560.db2.gz PDJGVUQAAXHIES-MOPGFXCFSA-N 2 0 335.536 2.641 10 30 EFEERP C=C(C)C[N@@H+](C)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001571614778 1086988966 /nfs/dbraw/zinc/98/89/66/1086988966.db2.gz SZSVWAUOLUYJEN-IBGZPJMESA-N 2 0 341.515 2.944 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001571687152 1087049231 /nfs/dbraw/zinc/04/92/31/1087049231.db2.gz VAGGWJDMUWOPJG-MJGOQNOKSA-N 2 0 333.520 2.962 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)c(F)c1 ZINC001571703214 1087076190 /nfs/dbraw/zinc/07/61/90/1087076190.db2.gz YBQRAQACRSNYSH-SFHVURJKSA-N 2 0 333.451 2.592 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(F)c1 ZINC001571702925 1087076645 /nfs/dbraw/zinc/07/66/45/1087076645.db2.gz NNURHNDWKDLYPK-CRAIPNDOSA-N 2 0 347.478 2.838 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001649470327 1092511629 /nfs/dbraw/zinc/51/16/29/1092511629.db2.gz ITXNCVDPMFUULG-QGZVFWFLSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267089756 1092638836 /nfs/dbraw/zinc/63/88/36/1092638836.db2.gz STEIVMLOTOMYFZ-WOJBJXKFSA-N 2 0 343.515 2.997 10 30 EFEERP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001267096163 1092683666 /nfs/dbraw/zinc/68/36/66/1092683666.db2.gz IONBFQCHWURIFM-FQEVSTJZSA-N 2 0 343.515 2.885 10 30 EFEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001267215771 1093222010 /nfs/dbraw/zinc/22/20/10/1093222010.db2.gz JTSZOKBFKIYQLQ-PXNSSMCTSA-N 2 0 341.499 2.529 10 30 EFEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001267215770 1093222845 /nfs/dbraw/zinc/22/28/45/1093222845.db2.gz JTSZOKBFKIYQLQ-FXAWDEMLSA-N 2 0 341.499 2.529 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267217187 1093227262 /nfs/dbraw/zinc/22/72/62/1093227262.db2.gz AEUSAZHPWXDGKJ-MAUKXSAKSA-N 2 0 327.488 2.602 10 30 EFEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222098 1093252404 /nfs/dbraw/zinc/25/24/04/1093252404.db2.gz GKLQRAQEIXIZNC-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267222499 1093254548 /nfs/dbraw/zinc/25/45/48/1093254548.db2.gz NLOJNUQZQFDARR-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001267317695 1093563918 /nfs/dbraw/zinc/56/39/18/1093563918.db2.gz JCRGWHYXXPFTEO-UXHICEINSA-N 2 0 343.515 2.736 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001267346654 1093633535 /nfs/dbraw/zinc/63/35/35/1093633535.db2.gz VCPLDZUGJXVLFC-UXHICEINSA-N 2 0 343.515 2.776 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001596038381 1094510269 /nfs/dbraw/zinc/51/02/69/1094510269.db2.gz CFPROIFVQNGJMF-CALCHBBNSA-N 2 0 343.515 2.899 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001268046489 1094858269 /nfs/dbraw/zinc/85/82/69/1094858269.db2.gz CIEABROYWKUXEG-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001267487256 1094909568 /nfs/dbraw/zinc/90/95/68/1094909568.db2.gz BXGNBERIMOJQLM-CQSZACIVSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267487140 1094909817 /nfs/dbraw/zinc/90/98/17/1094909817.db2.gz ATEHUXXPGXKILY-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496880 1094937257 /nfs/dbraw/zinc/93/72/57/1094937257.db2.gz URQUQHOZWFPOIB-ZWKOTPCHSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001481518880 1095069262 /nfs/dbraw/zinc/06/92/62/1095069262.db2.gz LKYGZLXPGUKPIO-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CCCCC)CC2)CC1 ZINC001481521616 1095087990 /nfs/dbraw/zinc/08/79/90/1095087990.db2.gz LEOSLNMTMPKCDI-UHFFFAOYSA-N 2 0 347.547 2.692 10 30 EFEERP C=CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001267509499 1095119407 /nfs/dbraw/zinc/11/94/07/1095119407.db2.gz UXLLRHFPQJCWCT-UXHICEINSA-N 2 0 343.515 2.735 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC/C=C\CCC)C1 ZINC001267658797 1095363485 /nfs/dbraw/zinc/36/34/85/1095363485.db2.gz RUHQKHJOVRMEKY-COJDAZNPSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268106177 1095366987 /nfs/dbraw/zinc/36/69/87/1095366987.db2.gz RVDMFTLXRVFBST-OALUTQOASA-N 2 0 347.547 2.785 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267682089 1095441524 /nfs/dbraw/zinc/44/15/24/1095441524.db2.gz HIPNVXNKXAUFSC-VQIMIIECSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267548821 1095465013 /nfs/dbraw/zinc/46/50/13/1095465013.db2.gz NHLCISOUVMFVLA-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268157028 1095567105 /nfs/dbraw/zinc/56/71/05/1095567105.db2.gz UDMSVCJNWURMHL-MOPGFXCFSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268164584 1095668654 /nfs/dbraw/zinc/66/86/54/1095668654.db2.gz BMVGWZBIUNGAKU-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001267730396 1095732822 /nfs/dbraw/zinc/73/28/22/1095732822.db2.gz UYUDTOTWWSILAK-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001267733112 1095748830 /nfs/dbraw/zinc/74/88/30/1095748830.db2.gz CESRUKLACUEGMY-PKOBYXMFSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267575149 1095790914 /nfs/dbraw/zinc/79/09/14/1095790914.db2.gz CWCJFXGMETZVIJ-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001268187385 1096052221 /nfs/dbraw/zinc/05/22/21/1096052221.db2.gz DJKWKMOJKKWCQJ-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001268201114 1096092427 /nfs/dbraw/zinc/09/24/27/1096092427.db2.gz GTEQQDDDRITINI-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001268372075 1096411070 /nfs/dbraw/zinc/41/10/70/1096411070.db2.gz AYXBGRUIXZPVFS-HKUYNNGSSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001481752412 1096527833 /nfs/dbraw/zinc/52/78/33/1096527833.db2.gz BKGUXVYKFYKZIO-DUIUGDAFSA-N 2 0 345.531 2.611 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268413662 1096550434 /nfs/dbraw/zinc/55/04/34/1096550434.db2.gz CJMNQDLGTLVGTD-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001481781803 1096693267 /nfs/dbraw/zinc/69/32/67/1096693267.db2.gz ICGFSCOYKYNILE-AQKVLALTSA-N 2 0 345.531 2.611 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001481819376 1096742737 /nfs/dbraw/zinc/74/27/37/1096742737.db2.gz VPINKKCSYDUKQV-HOCLYGCPSA-N 2 0 327.900 2.630 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001481883690 1096856890 /nfs/dbraw/zinc/85/68/90/1096856890.db2.gz YCCQWEPJNJHGAZ-PXNSSMCTSA-N 2 0 341.499 2.577 10 30 EFEERP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@H]1C ZINC001481963261 1097004086 /nfs/dbraw/zinc/00/40/86/1097004086.db2.gz UXVKHQRVCUVHLJ-NQIIRXRSSA-N 2 0 347.547 2.929 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481981380 1097036047 /nfs/dbraw/zinc/03/60/47/1097036047.db2.gz PBFHIKSLDCGWTP-GOSISDBHSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001482007540 1097085166 /nfs/dbraw/zinc/08/51/66/1097085166.db2.gz MYDKZPLBTLTDGT-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001482032522 1097124901 /nfs/dbraw/zinc/12/49/01/1097124901.db2.gz YFXPRNKCRAXKOZ-LJQANCHMSA-N 2 0 329.488 2.843 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001482034999 1097135026 /nfs/dbraw/zinc/13/50/26/1097135026.db2.gz KBRGRXZMYCPJMI-PMACEKPBSA-N 2 0 341.499 2.536 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001482050063 1097176700 /nfs/dbraw/zinc/17/67/00/1097176700.db2.gz QISOQUWSIRJHER-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001482065047 1097213347 /nfs/dbraw/zinc/21/33/47/1097213347.db2.gz GBNKUIRTJHPIJP-MOPGFXCFSA-N 2 0 329.488 2.836 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001482065048 1097213426 /nfs/dbraw/zinc/21/34/26/1097213426.db2.gz GBNKUIRTJHPIJP-RTBURBONSA-N 2 0 329.488 2.836 10 30 EFEERP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)CCCC[NH+](C)C ZINC001268712152 1097560197 /nfs/dbraw/zinc/56/01/97/1097560197.db2.gz JKYUBWUOUWYHOQ-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268777296 1097627188 /nfs/dbraw/zinc/62/71/88/1097627188.db2.gz XNLKZIHAKBQSKT-PMACEKPBSA-N 2 0 341.499 2.650 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001269251077 1097985472 /nfs/dbraw/zinc/98/54/72/1097985472.db2.gz LFLUTDGQLGCQFO-ZWKOTPCHSA-N 2 0 346.519 2.949 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269339574 1098070993 /nfs/dbraw/zinc/07/09/93/1098070993.db2.gz NQXOKUONJJCOGQ-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269621649 1098300697 /nfs/dbraw/zinc/30/06/97/1098300697.db2.gz KDUNJICBNKBVAS-UHFFFAOYSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269633170 1098311836 /nfs/dbraw/zinc/31/18/36/1098311836.db2.gz UCOGVVADUBWIFQ-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001269700459 1098378504 /nfs/dbraw/zinc/37/85/04/1098378504.db2.gz YESUHHGDKCSAGZ-ICSRJNTNSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269729174 1098403893 /nfs/dbraw/zinc/40/38/93/1098403893.db2.gz BGKFWVWDYCDYEG-HKUYNNGSSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001269740570 1098413603 /nfs/dbraw/zinc/41/36/03/1098413603.db2.gz GOIWZITUVILJMD-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001269761348 1098429100 /nfs/dbraw/zinc/42/91/00/1098429100.db2.gz ZFPOSUFKWOJMEG-FHWLQOOXSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001482244506 1098458771 /nfs/dbraw/zinc/45/87/71/1098458771.db2.gz XVVABWIVARZDJP-HKUYNNGSSA-N 2 0 345.531 2.607 10 30 EFEERP C#CC[NH2+]CCC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001269927743 1098525101 /nfs/dbraw/zinc/52/51/01/1098525101.db2.gz MIGNHPKDJDPYRW-HXUWFJFHSA-N 2 0 341.499 2.531 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001269960026 1098548628 /nfs/dbraw/zinc/54/86/28/1098548628.db2.gz PZANARKHBMKKCZ-MSOLQXFVSA-N 2 0 333.520 2.633 10 30 EFEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)cc1 ZINC001270081821 1098670920 /nfs/dbraw/zinc/67/09/20/1098670920.db2.gz JNFMOBCDBTUOIU-OAQYLSRUSA-N 2 0 349.478 2.719 10 30 EFEERP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001270082344 1098672577 /nfs/dbraw/zinc/67/25/77/1098672577.db2.gz UREHKNKVEGPMFJ-KRWDZBQOSA-N 2 0 341.499 2.843 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001270088756 1098681434 /nfs/dbraw/zinc/68/14/34/1098681434.db2.gz QNOPGTPZDLLZAB-IBGZPJMESA-N 2 0 329.488 2.843 10 30 EFEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001270118260 1098715457 /nfs/dbraw/zinc/71/54/57/1098715457.db2.gz JQKIXDQHTTUIAQ-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001267930560 1098720827 /nfs/dbraw/zinc/72/08/27/1098720827.db2.gz JMIFYESNOSMXDI-NCXUSEDFSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267947557 1098797352 /nfs/dbraw/zinc/79/73/52/1098797352.db2.gz WNIOZMJCOGWSMB-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267758407 1098858054 /nfs/dbraw/zinc/85/80/54/1098858054.db2.gz MWRFIUZFPOWCOF-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001270249671 1098862099 /nfs/dbraw/zinc/86/20/99/1098862099.db2.gz VVMWRNZRYBMQIT-LJQANCHMSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001270335057 1098976910 /nfs/dbraw/zinc/97/69/10/1098976910.db2.gz AUICSGYVHWFNKM-UHFFFAOYSA-N 2 0 345.531 2.896 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001270338318 1098980062 /nfs/dbraw/zinc/98/00/62/1098980062.db2.gz BCDAULLGXIGZMG-SFHVURJKSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001270359087 1099003409 /nfs/dbraw/zinc/00/34/09/1099003409.db2.gz RSSWGJMMXZCNLL-PKOBYXMFSA-N 2 0 333.520 2.608 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)c1ccc2ccccc2c1 ZINC001270368410 1099014405 /nfs/dbraw/zinc/01/44/05/1099014405.db2.gz DYJKEJSFIKOBNH-FQEVSTJZSA-N 2 0 337.467 2.562 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001615358164 1099157153 /nfs/dbraw/zinc/15/71/53/1099157153.db2.gz UEIZXGLDGLEOQF-SFHVURJKSA-N 2 0 349.906 2.929 10 30 EFEERP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001270511690 1099160890 /nfs/dbraw/zinc/16/08/90/1099160890.db2.gz DAPCFZARKMPHKC-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001671256801 1099373620 /nfs/dbraw/zinc/37/36/20/1099373620.db2.gz KQUQQALGUFEPTO-LPHOPBHVSA-N 2 0 329.488 2.907 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001481349822 1099411518 /nfs/dbraw/zinc/41/15/18/1099411518.db2.gz BSRVWPLPCNJPCY-DLBZAZTESA-N 2 0 341.927 2.973 10 30 EFEERP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001267826407 1099474301 /nfs/dbraw/zinc/47/43/01/1099474301.db2.gz HVZBHZFKOCPSFP-GOSISDBHSA-N 2 0 349.906 2.518 10 30 EFEERP CC#CCN1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)cnc3c2)C1 ZINC001481399260 1099613833 /nfs/dbraw/zinc/61/38/33/1099613833.db2.gz ITJHZUIWIVQKLJ-GOSISDBHSA-N 2 0 338.455 2.593 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001279112452 1099638785 /nfs/dbraw/zinc/63/87/85/1099638785.db2.gz INTYZOZLXAUWEL-WBVHZDCISA-N 2 0 340.471 2.907 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001482406092 1100042731 /nfs/dbraw/zinc/04/27/31/1100042731.db2.gz MRTOPNZUQRSEON-RTBURBONSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001270885434 1100089817 /nfs/dbraw/zinc/08/98/17/1100089817.db2.gz JBVZTMXCDCLSLI-SFHVURJKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001271016426 1100377762 /nfs/dbraw/zinc/37/77/62/1100377762.db2.gz GQYRZLFOVKMQHW-FQEVSTJZSA-N 2 0 329.488 2.766 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017717 1100381960 /nfs/dbraw/zinc/38/19/60/1100381960.db2.gz VFEGVWZZDDBEIZ-TZIWHRDSSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001671188190 1100944511 /nfs/dbraw/zinc/94/45/11/1100944511.db2.gz IETLAGDCXAVLMO-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[N@H+](CCNC(=O)c1ccn2c(C)cnc2c1)C1CC1 ZINC001266592046 1101314340 /nfs/dbraw/zinc/31/43/40/1101314340.db2.gz GXDUJGKFLFZKME-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266593803 1101320423 /nfs/dbraw/zinc/32/04/23/1101320423.db2.gz XHUXDPMXNPUGOB-KZNAEPCWSA-N 2 0 333.520 2.844 10 30 EFEERP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001670583378 1101362739 /nfs/dbraw/zinc/36/27/39/1101362739.db2.gz YJFWARCIQPAKIG-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001266601806 1101363993 /nfs/dbraw/zinc/36/39/93/1101363993.db2.gz NHNCGBAEDXTCNJ-MKXGPGLRSA-N 2 0 333.520 2.987 10 30 EFEERP 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333.520 2.940 10 30 EFEERP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044573 1104278890 /nfs/dbraw/zinc/27/88/90/1104278890.db2.gz RROGHMFAAURDPR-RTBURBONSA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272053228 1104330833 /nfs/dbraw/zinc/33/08/33/1104330833.db2.gz KFCLWJCNAXECAT-UXHICEINSA-N 2 0 341.499 2.760 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001664561283 1104449292 /nfs/dbraw/zinc/44/92/92/1104449292.db2.gz DVDWKQACHWKQCI-XLIONFOSSA-N 2 0 341.499 2.532 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCCC)c2ccccc2)CC1 ZINC001664599218 1104467424 /nfs/dbraw/zinc/46/74/24/1104467424.db2.gz QFIQXCAQIBHGHI-FQEVSTJZSA-N 2 0 341.499 2.579 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001664736627 1104528485 /nfs/dbraw/zinc/52/84/85/1104528485.db2.gz ZTBJUYVIODMIIS-UYAOXDASSA-N 2 0 345.531 2.635 10 30 EFEERP 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ZINC001666796215 1104998291 /nfs/dbraw/zinc/99/82/91/1104998291.db2.gz PGLZZYSAPLYFHU-QZTJIDSGSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1cnc[nH]1)CC2 ZINC001666834835 1105004925 /nfs/dbraw/zinc/00/49/25/1105004925.db2.gz QKFFYRKAPUNVLT-MRXNPFEDSA-N 2 0 344.503 2.966 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001667307326 1105113928 /nfs/dbraw/zinc/11/39/28/1105113928.db2.gz VIHFFSVZCWYAOT-FQEVSTJZSA-N 2 0 341.499 2.746 10 30 EFEERP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001482866505 1105115483 /nfs/dbraw/zinc/11/54/83/1105115483.db2.gz SZASXEKFRCVYSI-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001667331577 1105119558 /nfs/dbraw/zinc/11/95/58/1105119558.db2.gz AJPRKBICJZWNRT-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001667333681 1105120723 /nfs/dbraw/zinc/12/07/23/1105120723.db2.gz YHZWYZDKVOLIBE-GOEBONIOSA-N 2 0 326.444 2.659 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001667332811 1105121118 /nfs/dbraw/zinc/12/11/18/1105121118.db2.gz QPLSHBIIYXTASP-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001667420813 1105145207 /nfs/dbraw/zinc/14/52/07/1105145207.db2.gz DZGAZEQVAAKZHQ-WOJBJXKFSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001667733585 1105190748 /nfs/dbraw/zinc/19/07/48/1105190748.db2.gz KBGSPZVARLFCOV-QZTJIDSGSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001669979671 1105562357 /nfs/dbraw/zinc/56/23/57/1105562357.db2.gz DQAZVBQLNIKHJK-MOPGFXCFSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001669979674 1105562600 /nfs/dbraw/zinc/56/26/00/1105562600.db2.gz DQAZVBQLNIKHJK-RTBURBONSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CCC=C)CC1 ZINC001671481295 1105642433 /nfs/dbraw/zinc/64/24/33/1105642433.db2.gz FRWAEPCNGUJQOP-AZUAARDMSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCCCCC)CC1 ZINC001671487235 1105643789 /nfs/dbraw/zinc/64/37/89/1105643789.db2.gz MQTWZCSLTHVCCO-FQEVSTJZSA-N 2 0 347.547 2.977 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC(C)C)CC1 ZINC001671486818 1105643867 /nfs/dbraw/zinc/64/38/67/1105643867.db2.gz FDUNUBSDCXBFJK-LJQANCHMSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCCCC)CC1 ZINC001671507753 1105647760 /nfs/dbraw/zinc/64/77/60/1105647760.db2.gz HZOFWYVBDXKCPD-UHFFFAOYSA-N 2 0 347.547 2.979 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001671530794 1105653018 /nfs/dbraw/zinc/65/30/18/1105653018.db2.gz UDBVVABZYPDDRY-SFHVURJKSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671908782 1105727578 /nfs/dbraw/zinc/72/75/78/1105727578.db2.gz WJPORPVSORTDNX-RBUKOAKNSA-N 2 0 339.499 2.603 10 30 EFEERP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001672170899 1105764843 /nfs/dbraw/zinc/76/48/43/1105764843.db2.gz KRZIJAGJNQLAGY-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001672356139 1105811701 /nfs/dbraw/zinc/81/17/01/1105811701.db2.gz OHCZPZJKFUNGRO-YSTOQKLRSA-N 2 0 345.531 2.633 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001672400739 1105824847 /nfs/dbraw/zinc/82/48/47/1105824847.db2.gz PVKNHKCYNDVTOB-FQEVSTJZSA-N 2 0 341.499 2.503 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001672420191 1105828464 /nfs/dbraw/zinc/82/84/64/1105828464.db2.gz WSYPNKRVNFLGSL-WSTZPKSXSA-N 2 0 345.531 2.750 10 30 EFEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001672439109 1105833533 /nfs/dbraw/zinc/83/35/33/1105833533.db2.gz SFQJDRNTRYUXAT-OTWHNJEPSA-N 2 0 333.520 2.606 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001672933601 1105941854 /nfs/dbraw/zinc/94/18/54/1105941854.db2.gz FXLNOIUWGHGWMG-IRXDYDNUSA-N 2 0 329.488 2.793 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001672943945 1105946023 /nfs/dbraw/zinc/94/60/23/1105946023.db2.gz UMDZYEROORSCRQ-SJORKVTESA-N 2 0 329.488 2.871 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001672947950 1105947165 /nfs/dbraw/zinc/94/71/65/1105947165.db2.gz QSOPSBRMJCWQBH-LPHOPBHVSA-N 2 0 329.488 2.871 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001672982662 1105953864 /nfs/dbraw/zinc/95/38/64/1105953864.db2.gz JGZSOLYGXKWUEF-FHWLQOOXSA-N 2 0 333.520 2.537 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001672987001 1105953895 /nfs/dbraw/zinc/95/38/95/1105953895.db2.gz JNGMSBCBAWQMNH-IRJFHVNHSA-N 2 0 341.499 2.650 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@H](C)CC)CC2)CC1 ZINC001672995030 1105956283 /nfs/dbraw/zinc/95/62/83/1105956283.db2.gz QUJYYPUXUJNAAG-QWFCFKBJSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)C[N@H+]1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001673079932 1105971693 /nfs/dbraw/zinc/97/16/93/1105971693.db2.gz VGOWMXOQGPCOBK-UHFFFAOYSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001673496496 1106035222 /nfs/dbraw/zinc/03/52/22/1106035222.db2.gz NDPORCJSDXAAKL-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[NH+]1CCC(CCCCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001673630001 1106058525 /nfs/dbraw/zinc/05/85/25/1106058525.db2.gz SZKMGVWYKPLLRR-IBGZPJMESA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001673769652 1106084601 /nfs/dbraw/zinc/08/46/01/1106084601.db2.gz QNFGXMKXHMTJLC-APWZRJJASA-N 2 0 341.499 2.925 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCCCCC)C2)CC1 ZINC001673929481 1106104880 /nfs/dbraw/zinc/10/48/80/1106104880.db2.gz SVANJFNGQKVTFE-QUCCMNQESA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001673986298 1106113643 /nfs/dbraw/zinc/11/36/43/1106113643.db2.gz XAKLUEDZEDRXFK-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001674132876 1106142983 /nfs/dbraw/zinc/14/29/83/1106142983.db2.gz BSEFRBYAUORORD-IAGOWNOFSA-N 2 0 333.520 2.632 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674463151 1106195759 /nfs/dbraw/zinc/19/57/59/1106195759.db2.gz GRBOGBDXZGVTRM-SFHVURJKSA-N 2 0 333.520 2.586 10 30 EFEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001674491918 1106204014 /nfs/dbraw/zinc/20/40/14/1106204014.db2.gz SXHLEBQSLZUDCE-WOJBJXKFSA-N 2 0 341.499 2.626 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499657 1106206799 /nfs/dbraw/zinc/20/67/99/1106206799.db2.gz MLWQNOKJBKSCLD-MOPGFXCFSA-N 2 0 335.536 2.996 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001674780539 1106255467 /nfs/dbraw/zinc/25/54/67/1106255467.db2.gz NEESYWLMUQOFLX-HOTGVXAUSA-N 2 0 349.906 2.515 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001674780543 1106255867 /nfs/dbraw/zinc/25/58/67/1106255867.db2.gz NEESYWLMUQOFLX-JKSUJKDBSA-N 2 0 349.906 2.515 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001675354867 1106346222 /nfs/dbraw/zinc/34/62/22/1106346222.db2.gz ZIVNJFCOGKVHEG-IRXDYDNUSA-N 2 0 347.547 2.900 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001675354865 1106346255 /nfs/dbraw/zinc/34/62/55/1106346255.db2.gz ZIVNJFCOGKVHEG-DLBZAZTESA-N 2 0 347.547 2.900 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001675677072 1106409116 /nfs/dbraw/zinc/40/91/16/1106409116.db2.gz BVIJRILDWGOZOR-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001676074790 1106480448 /nfs/dbraw/zinc/48/04/48/1106480448.db2.gz SPVDDMZFCULIRK-SFHVURJKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001676846720 1106602935 /nfs/dbraw/zinc/60/29/35/1106602935.db2.gz RXODBZKYEAEABF-XUVXKRRUSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001676879082 1106614607 /nfs/dbraw/zinc/61/46/07/1106614607.db2.gz KNHGPVMOVSFGEV-MJGOQNOKSA-N 2 0 333.520 2.633 10 30 EFEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001677018282 1106649063 /nfs/dbraw/zinc/64/90/63/1106649063.db2.gz AAGNCTOXABPDPW-MOPGFXCFSA-N 2 0 345.531 2.633 10 30 EFEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001677018284 1106649178 /nfs/dbraw/zinc/64/91/78/1106649178.db2.gz AAGNCTOXABPDPW-RBUKOAKNSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001677043080 1106655811 /nfs/dbraw/zinc/65/58/11/1106655811.db2.gz MIMZRXLLXWTEDW-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001677307265 1106695493 /nfs/dbraw/zinc/69/54/93/1106695493.db2.gz ZKSZFZPOJAYFHX-ROUUACIJSA-N 2 0 335.536 2.641 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272320682 1107808691 /nfs/dbraw/zinc/80/86/91/1107808691.db2.gz CCCZUBBENGECOQ-RTBURBONSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001272341709 1107971634 /nfs/dbraw/zinc/97/16/34/1107971634.db2.gz CODGJNODKKKBCT-WMZOPIPTSA-N 2 0 345.487 2.633 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CCCCCC1 ZINC001483813467 1112480843 /nfs/dbraw/zinc/48/08/43/1112480843.db2.gz TUZJYHDVUDICJT-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001483829265 1112489558 /nfs/dbraw/zinc/48/95/58/1112489558.db2.gz BRCPHMCSKWVKQO-PKOBYXMFSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001483832703 1112493554 /nfs/dbraw/zinc/49/35/54/1112493554.db2.gz MYFSYGYMCNQHTE-FQEVSTJZSA-N 2 0 344.503 2.944 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832972 1112493773 /nfs/dbraw/zinc/49/37/73/1112493773.db2.gz RHSJGKZWSRKSIG-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001483984478 1112630249 /nfs/dbraw/zinc/63/02/49/1112630249.db2.gz NXSQJRZDRRIZMZ-FQEVSTJZSA-N 2 0 347.547 2.832 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001483987016 1112632088 /nfs/dbraw/zinc/63/20/88/1112632088.db2.gz AWUDPQLYRJWMGD-YXBWYFRISA-N 2 0 333.520 2.609 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001483988453 1112634159 /nfs/dbraw/zinc/63/41/59/1112634159.db2.gz BSNARQFRYKEDMA-ICSRJNTNSA-N 2 0 347.547 2.689 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001483988427 1112634182 /nfs/dbraw/zinc/63/41/82/1112634182.db2.gz AWUDPQLYRJWMGD-ZBTAVZRMSA-N 2 0 333.520 2.609 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001483992947 1112641998 /nfs/dbraw/zinc/64/19/98/1112641998.db2.gz RZLXGTIDFWNFHC-NHCUHLMSSA-N 2 0 349.478 2.562 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484521572 1112977480 /nfs/dbraw/zinc/97/74/80/1112977480.db2.gz VHCZXDCWWYDPMG-MRXNPFEDSA-N 2 0 341.927 2.832 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCC(C)(C)C)C2)CC1 ZINC001484551965 1113004914 /nfs/dbraw/zinc/00/49/14/1113004914.db2.gz SWEWBEHTJSWEFC-GOSISDBHSA-N 2 0 347.547 2.596 10 30 EFEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cncc1C ZINC001484555935 1113017205 /nfs/dbraw/zinc/01/72/05/1113017205.db2.gz DLSUUIMHOQAQAN-UHFFFAOYSA-N 2 0 340.471 2.906 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001484579842 1113033213 /nfs/dbraw/zinc/03/32/13/1113033213.db2.gz LJUYIFZUYMXVRB-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCC3CCC3)CCC2)CC1 ZINC001484663345 1113103592 /nfs/dbraw/zinc/10/35/92/1113103592.db2.gz QAEUTZBNVCZLDF-UHFFFAOYSA-N 2 0 345.531 2.540 10 30 EFEERP CC#CC[NH+]1CCC(CCCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484821131 1117755315 /nfs/dbraw/zinc/75/53/15/1117755315.db2.gz NLKFPYODKSNSET-FQEVSTJZSA-N 2 0 347.547 2.740 10 30 EFEERP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484821064 1117755574 /nfs/dbraw/zinc/75/55/74/1117755574.db2.gz LLDZTPPGJRDRRS-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001484822557 1117757596 /nfs/dbraw/zinc/75/75/96/1117757596.db2.gz GSWRDMTWBPSXOE-UXHICEINSA-N 2 0 343.515 2.836 10 30 EFEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[N@H+]3CC[C@H](C)C3)cc2C1 ZINC001484875704 1117790556 /nfs/dbraw/zinc/79/05/56/1117790556.db2.gz ODRKVWJPNXXTEW-INIZCTEOSA-N 2 0 327.472 2.536 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484984256 1117909161 /nfs/dbraw/zinc/90/91/61/1117909161.db2.gz ZTVAHJPADKKNAD-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001485011565 1117944056 /nfs/dbraw/zinc/94/40/56/1117944056.db2.gz QDHCGLSGCYMLND-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485045478 1117964487 /nfs/dbraw/zinc/96/44/87/1117964487.db2.gz YTOVQLRHKSDJBB-VAMGGRTRSA-N 2 0 343.515 2.911 10 30 EFEERP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001485033322 1117966732 /nfs/dbraw/zinc/96/67/32/1117966732.db2.gz DFRMJLFYRIFBMJ-KRWDZBQOSA-N 2 0 341.927 2.641 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001485253240 1118169118 /nfs/dbraw/zinc/16/91/18/1118169118.db2.gz DUNGWIMKXCKVDL-HOTGVXAUSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001485617826 1118482193 /nfs/dbraw/zinc/48/21/93/1118482193.db2.gz AQTLVOHQCVWTKW-MKXGPGLRSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001485653960 1118501047 /nfs/dbraw/zinc/50/10/47/1118501047.db2.gz OXEGSJIMNKUGIY-KSZLIROESA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001485779321 1118587770 /nfs/dbraw/zinc/58/77/70/1118587770.db2.gz ADZKLVPYRXPIED-MOPGFXCFSA-N 2 0 329.488 2.742 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001485815991 1119235862 /nfs/dbraw/zinc/23/58/62/1119235862.db2.gz OFIAEGINJONBAW-HNNXBMFYSA-N 2 0 338.883 2.506 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001272727090 1119570892 /nfs/dbraw/zinc/57/08/92/1119570892.db2.gz PRIFSBSHAFDSJN-FVVUREQNSA-N 2 0 335.536 2.946 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001485817824 1119784180 /nfs/dbraw/zinc/78/41/80/1119784180.db2.gz QCVNIBCUNGIRRP-FUHWJXTLSA-N 2 0 333.520 2.796 10 30 EFEERP [NH2+]=C(Nc1ccccn1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000262423922 240351276 /nfs/dbraw/zinc/35/12/76/240351276.db2.gz BYHHYLZNYKWDTJ-UHFFFAOYSA-N 2 0 341.381 2.614 10 30 EFEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H](CSc2ccccc2)C1 ZINC000262459217 240354820 /nfs/dbraw/zinc/35/48/20/240354820.db2.gz LZEMWGRJPXYNOT-IRXDYDNUSA-N 2 0 346.544 2.770 10 30 EFEERP C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000262001779 240338170 /nfs/dbraw/zinc/33/81/70/240338170.db2.gz UMQFEYDQROOVQL-WMLDXEAASA-N 2 0 344.503 2.937 10 30 EFEERP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261694967 240318021 /nfs/dbraw/zinc/31/80/21/240318021.db2.gz IVGVUEGXTILLCD-HZSPNIEDSA-N 2 0 334.430 2.614 10 30 EFEERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113323925 544569951 /nfs/dbraw/zinc/56/99/51/544569951.db2.gz QXNXQSXJXCKZIN-QGZVFWFLSA-N 2 0 337.471 2.895 10 30 EFEERP O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)NC1CC[NH+](C2CC2)CC1 ZINC000330129037 295389867 /nfs/dbraw/zinc/38/98/67/295389867.db2.gz OBFMKICPRMAUGE-QZTJIDSGSA-N 2 0 345.491 2.540 10 30 EFEERP N#Cc1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000567645833 319192145 /nfs/dbraw/zinc/19/21/45/319192145.db2.gz BWNWDKWYELUOCP-PZJWPPBQSA-N 2 0 349.434 2.783 10 30 EFEERP CN1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000581339359 324353617 /nfs/dbraw/zinc/35/36/17/324353617.db2.gz UIXCSSWLAMOGLT-TZIWHRDSSA-N 2 0 348.450 2.922 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000106329604 472840903 /nfs/dbraw/zinc/84/09/03/472840903.db2.gz PFAHYMFVURQNMH-IBGZPJMESA-N 2 0 344.503 2.629 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461104 472868307 /nfs/dbraw/zinc/86/83/07/472868307.db2.gz UUAIHQRYACQRGN-QAPCUYQASA-N 2 0 328.460 2.549 10 30 EFEERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)[nH+]1 ZINC000092813152 472991123 /nfs/dbraw/zinc/99/11/23/472991123.db2.gz QWOAYZQPAZAQBX-QGZVFWFLSA-N 2 0 346.438 2.843 10 30 EFEERP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292251361 474924124 /nfs/dbraw/zinc/92/41/24/474924124.db2.gz XSADPSJLMOCXKK-UGSOOPFHSA-N 2 0 346.862 2.566 10 30 EFEERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328660864 475051381 /nfs/dbraw/zinc/05/13/81/475051381.db2.gz WCPZBWPBINALAI-DLBZAZTESA-N 2 0 347.507 2.647 10 30 EFEERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)cc1F ZINC000358556360 475768230 /nfs/dbraw/zinc/76/82/30/475768230.db2.gz ARGCBKAWWMNGQA-HNNXBMFYSA-N 2 0 332.467 2.622 10 30 EFEERP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358564039 475774052 /nfs/dbraw/zinc/77/40/52/475774052.db2.gz WOGLNRKIZWGNGJ-INIZCTEOSA-N 2 0 332.467 2.766 10 30 EFEERP CNC(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)=[NH+]C ZINC000363433151 476381592 /nfs/dbraw/zinc/38/15/92/476381592.db2.gz VWLNSNKLANREJT-DZGCQCFKSA-N 2 0 342.409 2.883 10 30 EFEERP C#Cc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000377660558 476505948 /nfs/dbraw/zinc/50/59/48/476505948.db2.gz XVQVVHWVOUAJOH-UHFFFAOYSA-N 2 0 325.500 2.708 10 30 EFEERP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000445521933 476747487 /nfs/dbraw/zinc/74/74/87/476747487.db2.gz CIPCYFIBBUYDDH-UHFFFAOYSA-N 2 0 326.488 2.550 10 30 EFEERP C[NH+]1CCC(C[NH2+]C2CCC(C)(C#N)CC2)(N2CCCCC2)CC1 ZINC000449171825 477470144 /nfs/dbraw/zinc/47/01/44/477470144.db2.gz UXYJIYYCHZPJKE-UHFFFAOYSA-N 2 0 332.536 2.999 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247696 477880036 /nfs/dbraw/zinc/88/00/36/477880036.db2.gz CDDSLOZHLOVJGK-HXUWFJFHSA-N 2 0 330.472 2.842 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000516861386 477998429 /nfs/dbraw/zinc/99/84/29/477998429.db2.gz ASNDGUCLNLPBIS-KUQKPQIMSA-N 2 0 328.460 2.750 10 30 EFEERP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594437688 478386875 /nfs/dbraw/zinc/38/68/75/478386875.db2.gz KSWLMEIRPCCBMT-GOSISDBHSA-N 2 0 330.476 2.554 10 30 EFEERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1cccs1 ZINC000594437714 478387299 /nfs/dbraw/zinc/38/72/99/478387299.db2.gz DPULPPQVHIZGCI-INMHGKMJSA-N 2 0 348.516 2.658 10 30 EFEERP C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437752 478387412 /nfs/dbraw/zinc/38/74/12/478387412.db2.gz FCDJTLGCSPKPFT-PKOBYXMFSA-N 2 0 342.487 2.521 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000594440708 478389100 /nfs/dbraw/zinc/38/91/00/478389100.db2.gz HVBQQLBOWRLLPZ-RBUKOAKNSA-N 2 0 342.487 2.569 10 30 EFEERP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc21 ZINC000594439556 478389369 /nfs/dbraw/zinc/38/93/69/478389369.db2.gz RYZSCWVTTFJPBV-KRWDZBQOSA-N 2 0 341.459 2.553 10 30 EFEERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441309 478391364 /nfs/dbraw/zinc/39/13/64/478391364.db2.gz QSOHJZRQCWNULW-SFHVURJKSA-N 2 0 330.476 2.554 10 30 EFEERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594501278 478413133 /nfs/dbraw/zinc/41/31/33/478413133.db2.gz YGIGUIHZAHNBSA-SFHVURJKSA-N 2 0 342.531 2.851 10 30 EFEERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594499638 478413666 /nfs/dbraw/zinc/41/36/66/478413666.db2.gz OOGFQGSZRSVNQP-UHFFFAOYSA-N 2 0 342.531 2.851 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000600723620 478487171 /nfs/dbraw/zinc/48/71/71/478487171.db2.gz XZBUFULGTDDUJV-LJQANCHMSA-N 2 0 327.472 2.543 10 30 EFEERP N#CC1(c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)CC1 ZINC000594921159 478585368 /nfs/dbraw/zinc/58/53/68/478585368.db2.gz FWDMZWJGQWLVLX-SFHVURJKSA-N 2 0 339.483 2.832 10 30 EFEERP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000594932014 478593006 /nfs/dbraw/zinc/59/30/06/478593006.db2.gz UJLSBPNOIPIEAR-PMACEKPBSA-N 2 0 339.483 2.709 10 30 EFEERP N#Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000594973551 478614033 /nfs/dbraw/zinc/61/40/33/478614033.db2.gz FVXANYKIFMAPMQ-IBGZPJMESA-N 2 0 339.414 2.554 10 30 EFEERP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501270 478805882 /nfs/dbraw/zinc/80/58/82/478805882.db2.gz CYLWGQLIOKZZDN-TZIWHRDSSA-N 2 0 339.483 2.639 10 30 EFEERP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000592185115 478817805 /nfs/dbraw/zinc/81/78/05/478817805.db2.gz RXTNXOZESRLNFO-UHFFFAOYSA-N 2 0 327.472 2.784 10 30 EFEERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979824 479112531 /nfs/dbraw/zinc/11/25/31/479112531.db2.gz DCUIGOVAZUJKJJ-FQEVSTJZSA-N 2 0 340.515 2.985 10 30 EFEERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599364692 479269915 /nfs/dbraw/zinc/26/99/15/479269915.db2.gz ZSJHTCSEOFVCPN-ZHALLVOQSA-N 2 0 341.499 2.787 10 30 EFEERP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599365527 479270323 /nfs/dbraw/zinc/27/03/23/479270323.db2.gz FATKXACTFPMNOW-QXAKKESOSA-N 2 0 327.472 2.541 10 30 EFEERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(C#N)cc1 ZINC000596653505 479373814 /nfs/dbraw/zinc/37/38/14/479373814.db2.gz LFJHDWSHGWXSCA-IBGZPJMESA-N 2 0 342.487 2.590 10 30 EFEERP CCC1(N2CCOCC2)CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000599663118 479378302 /nfs/dbraw/zinc/37/83/02/479378302.db2.gz BZGYCSKVEYDWPU-UHFFFAOYSA-N 2 0 327.472 2.944 10 30 EFEERP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705271 481272929 /nfs/dbraw/zinc/27/29/29/481272929.db2.gz AVYRNTUORXNLPC-BJLQDIEVSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705875 481274014 /nfs/dbraw/zinc/27/40/14/481274014.db2.gz ZKBIHOIEBXCGAF-CMKODMSKSA-N 2 0 330.472 2.970 10 30 EFEERP C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693674 481908661 /nfs/dbraw/zinc/90/86/61/481908661.db2.gz ZLCDXLMYBLHEEU-RBUKOAKNSA-N 2 0 328.504 2.928 10 30 EFEERP C=CC[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651702815 481912521 /nfs/dbraw/zinc/91/25/21/481912521.db2.gz DLNPWGKRPHUEQM-OALUTQOASA-N 2 0 343.519 2.713 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666167 481922513 /nfs/dbraw/zinc/92/25/13/481922513.db2.gz QUJDHXAUJVENPY-MAUKXSAKSA-N 2 0 333.501 2.700 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662668985 481924283 /nfs/dbraw/zinc/92/42/83/481924283.db2.gz LSZBIQJDRLPAMH-NRFANRHFSA-N 2 0 341.499 2.987 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678943 481930979 /nfs/dbraw/zinc/93/09/79/481930979.db2.gz KRPSZUPQCAPMTM-PZJWPPBQSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000662693261 481936243 /nfs/dbraw/zinc/93/62/43/481936243.db2.gz IGODDCFUUSOJPV-HXUWFJFHSA-N 2 0 327.472 2.962 10 30 EFEERP C=CC[C@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000662696412 481938563 /nfs/dbraw/zinc/93/85/63/481938563.db2.gz ZTLJPSSZRDVYME-HXUWFJFHSA-N 2 0 329.488 2.841 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698211 481940294 /nfs/dbraw/zinc/94/02/94/481940294.db2.gz JTMWWJQIJVGHOD-APWZRJJASA-N 2 0 347.528 2.775 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000662717259 481947010 /nfs/dbraw/zinc/94/70/10/481947010.db2.gz YPCONNIOEBXIHL-ICSRJNTNSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[C@@]1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662719615 481948223 /nfs/dbraw/zinc/94/82/23/481948223.db2.gz HOWAOFFXIDDERD-NRFANRHFSA-N 2 0 341.499 2.808 10 30 EFEERP C=CC[C@]1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729149 481952665 /nfs/dbraw/zinc/95/26/65/481952665.db2.gz KRSZZZLWELPHOH-TZIWHRDSSA-N 2 0 341.499 2.665 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662753841 481959822 /nfs/dbraw/zinc/95/98/22/481959822.db2.gz YDLIMXRBZOEUOA-WMZOPIPTSA-N 2 0 335.879 2.757 10 30 EFEERP C=CC[C@]1(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662787952 481969377 /nfs/dbraw/zinc/96/93/77/481969377.db2.gz DADGYHBEXIKEMJ-HXUWFJFHSA-N 2 0 329.488 2.795 10 30 EFEERP C=CC[C@]1(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805554 481978264 /nfs/dbraw/zinc/97/82/64/481978264.db2.gz YVXIFJJYRBWYCJ-YFVAEKQCSA-N 2 0 341.499 2.712 10 30 EFEERP COc1cc(C#N)ccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000157876883 522042660 /nfs/dbraw/zinc/04/26/60/522042660.db2.gz CGONOULYKVMVRG-UHFFFAOYSA-N 2 0 343.471 2.753 10 30 EFEERP C[NH+]=C(NCC[NH2+]C(C)(C)C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000160960542 526361384 /nfs/dbraw/zinc/36/13/84/526361384.db2.gz ANQTVKSQIOICTO-OAHLLOKOSA-N 2 0 332.492 2.842 10 30 EFEERP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000192928348 526693971 /nfs/dbraw/zinc/69/39/71/526693971.db2.gz DSYGLSXCRHMKJY-LJQANCHMSA-N 2 0 345.450 2.818 10 30 EFEERP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000358556659 535020707 /nfs/dbraw/zinc/02/07/07/535020707.db2.gz NBNHZVSVXYWSIG-BEFAXECRSA-N 2 0 332.467 2.620 10 30 EFEERP CCO[C@@H]1C[C@H](NC(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=[NH+]C)C12CCC2 ZINC000246326128 535455064 /nfs/dbraw/zinc/45/50/64/535455064.db2.gz FXCORWZNALXWQD-OOHRUWKFSA-N 2 0 348.535 2.514 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001691772981 1248647331 /nfs/dbraw/zinc/64/73/31/1248647331.db2.gz UFPYEWKRQMEVGR-MOPGFXCFSA-N 2 0 329.488 2.530 10 30 EFEERP C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001481508248 1249670768 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347.547 2.596 10 30 EFEERP COc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1C#N ZINC000850344590 1250442816 /nfs/dbraw/zinc/44/28/16/1250442816.db2.gz OAAKIQXQSMCOIE-UHFFFAOYSA-N 2 0 343.471 2.547 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001691554657 1251768500 /nfs/dbraw/zinc/76/85/00/1251768500.db2.gz PXEGZXOSAYIHFZ-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484115848 1252280569 /nfs/dbraw/zinc/28/05/69/1252280569.db2.gz XLXGMKRXFKQTOC-SJLPKXTDSA-N 2 0 341.927 2.832 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC/C=C/CC)C2)CC1 ZINC001484126061 1252305849 /nfs/dbraw/zinc/30/58/49/1252305849.db2.gz SGXIBOBYKIROTE-IRUYWQDXSA-N 2 0 345.531 2.516 10 30 EFEERP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001484359012 1252444823 /nfs/dbraw/zinc/44/48/23/1252444823.db2.gz QUEWKXOSDCKALY-IRXDYDNUSA-N 2 0 345.487 2.585 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484368506 1252474640 /nfs/dbraw/zinc/47/46/40/1252474640.db2.gz PTWQVPZVODVNIZ-GOEBONIOSA-N 2 0 341.927 2.688 10 30 EFEERP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001484390786 1252498798 /nfs/dbraw/zinc/49/87/98/1252498798.db2.gz UCZAYLHRNKJHKU-OKYOBFRVSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001484390669 1252499001 /nfs/dbraw/zinc/49/90/01/1252499001.db2.gz RKQZFIBIEZLVBA-FCGDIQPGSA-N 2 0 335.536 2.898 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001484385548 1252502950 /nfs/dbraw/zinc/50/29/50/1252502950.db2.gz KSMUNRRSBLDPCO-DOTOQJQBSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(C)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484399723 1252537375 /nfs/dbraw/zinc/53/73/75/1252537375.db2.gz UAYHEUZQHPFIFC-IBGZPJMESA-N 2 0 329.488 2.665 10 30 EFEERP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001484409968 1252548290 /nfs/dbraw/zinc/54/82/90/1252548290.db2.gz LTSUBJJWGKERJP-HDICACEKSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001484411146 1252552131 /nfs/dbraw/zinc/55/21/31/1252552131.db2.gz AKLCZYIBRIMMRL-GBESFXJTSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001484455028 1252627699 /nfs/dbraw/zinc/62/76/99/1252627699.db2.gz HVRZZXXESOHGHT-QRVBRYPASA-N 2 0 333.520 2.891 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001484721842 1252844396 /nfs/dbraw/zinc/84/43/96/1252844396.db2.gz ONQAMZQUHZADJG-CVEARBPZSA-N 2 0 329.916 2.830 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001484770601 1252936554 /nfs/dbraw/zinc/93/65/54/1252936554.db2.gz HJABQXDALXGCNZ-RBUKOAKNSA-N 2 0 347.547 2.855 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001484770242 1252936923 /nfs/dbraw/zinc/93/69/23/1252936923.db2.gz BBRYAMIDKNDSRM-WOJBJXKFSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001485826066 1256697475 /nfs/dbraw/zinc/69/74/75/1256697475.db2.gz FSOBBSDQDAXLDU-LJQANCHMSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001670918662 1258606949 /nfs/dbraw/zinc/60/69/49/1258606949.db2.gz LJSRZYYLYHECPB-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001670976857 1259259404 /nfs/dbraw/zinc/25/94/04/1259259404.db2.gz HDVHQRHSAFPKNX-OALUTQOASA-N 2 0 347.547 2.881 10 30 EFEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001670985192 1259320229 /nfs/dbraw/zinc/32/02/29/1259320229.db2.gz OPTQZGKIRKCNIN-UHFFFAOYSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001670989182 1259347375 /nfs/dbraw/zinc/34/73/75/1259347375.db2.gz LHAKWJUTSJCILG-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001272825924 1261060945 /nfs/dbraw/zinc/06/09/45/1261060945.db2.gz LJQAFSISCYYYLZ-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923508881 1261810020 /nfs/dbraw/zinc/81/00/20/1261810020.db2.gz XXCOTKHTOXGSIK-PXNSSMCTSA-N 2 0 327.472 2.693 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485921974 1262501508 /nfs/dbraw/zinc/50/15/08/1262501508.db2.gz FYKWQYMMKPCKKG-MAUKXSAKSA-N 2 0 327.488 2.602 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001486128061 1262705457 /nfs/dbraw/zinc/70/54/57/1262705457.db2.gz JUEZEYLEFIRUAH-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCCCC)C(C)(C)C2)CC1 ZINC001486249517 1262855339 /nfs/dbraw/zinc/85/53/39/1262855339.db2.gz IIKVVZIDUYJFGD-LJQANCHMSA-N 2 0 347.547 2.739 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000921858941 1262902829 /nfs/dbraw/zinc/90/28/29/1262902829.db2.gz IJHBDKKERVVEBU-VQTJNVASSA-N 2 0 327.472 2.643 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000921858938 1262902848 /nfs/dbraw/zinc/90/28/48/1262902848.db2.gz IJHBDKKERVVEBU-UXHICEINSA-N 2 0 327.472 2.643 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001486404087 1263054774 /nfs/dbraw/zinc/05/47/74/1263054774.db2.gz XVRIOJTXFITCLT-KRWDZBQOSA-N 2 0 335.536 2.783 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C(C)(C)C)CC1 ZINC001486424466 1263077461 /nfs/dbraw/zinc/07/74/61/1263077461.db2.gz NLJOPRQCCGKTGP-IBGZPJMESA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486450077 1263142581 /nfs/dbraw/zinc/14/25/81/1263142581.db2.gz ANTBQGHYBVESOU-AZUAARDMSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001486465736 1263179838 /nfs/dbraw/zinc/17/98/38/1263179838.db2.gz LFBGGSPKWZMJRB-AOCRQIFASA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC2=CCCCC2)CC1 ZINC001273205391 1263220252 /nfs/dbraw/zinc/22/02/52/1263220252.db2.gz ZVAXCNNDXLFOPQ-SFHVURJKSA-N 2 0 345.531 2.707 10 30 EFEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001486490114 1263233982 /nfs/dbraw/zinc/23/39/82/1263233982.db2.gz HNNJKRGBUGVLAY-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)c(F)c1 ZINC001486524316 1263328365 /nfs/dbraw/zinc/32/83/65/1263328365.db2.gz YEXXRUPUGAQCIJ-UHFFFAOYSA-N 2 0 347.478 2.982 10 30 EFEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001691663622 1264356952 /nfs/dbraw/zinc/35/69/52/1264356952.db2.gz TXJWOHFJHTZDQY-VQIMIIECSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001410266141 1264603331 /nfs/dbraw/zinc/60/33/31/1264603331.db2.gz CROHRCTUOQAWRB-OAHLLOKOSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001411214808 1272029400 /nfs/dbraw/zinc/02/94/00/1272029400.db2.gz VJOPLMUTVHUHPK-HUUCEWRRSA-N 2 0 329.916 2.732 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001671075642 1279088416 /nfs/dbraw/zinc/08/84/16/1279088416.db2.gz VZKPOHKCYMGBGZ-UYAOXDASSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000872902604 1289454072 /nfs/dbraw/zinc/45/40/72/1289454072.db2.gz ONWJECJHZXLALX-UHFFFAOYSA-N 2 0 348.535 2.687 10 30 EFEERP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000903460675 1312715607 /nfs/dbraw/zinc/71/56/07/1312715607.db2.gz HMTMAORTQPWLEO-SZMVWBNQSA-N 2 0 333.863 2.930 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000876732291 1290994027 /nfs/dbraw/zinc/99/40/27/1290994027.db2.gz SDSVXGYGJHFKGT-MRXNPFEDSA-N 2 0 327.900 2.571 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742576 1291000039 /nfs/dbraw/zinc/00/00/39/1291000039.db2.gz UXLIVPCSIKRTKU-IRXDYDNUSA-N 2 0 335.879 2.718 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000876752355 1291005421 /nfs/dbraw/zinc/00/54/21/1291005421.db2.gz MQOMVDYTSKWQQA-HOTGVXAUSA-N 2 0 327.900 2.571 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000876941330 1291080446 /nfs/dbraw/zinc/08/04/46/1291080446.db2.gz KHAWZURYLJXUSG-WBVHZDCISA-N 2 0 341.927 2.959 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CCC[NH2+]1 ZINC000877444698 1291237202 /nfs/dbraw/zinc/23/72/02/1291237202.db2.gz OUIIRNWOKLEIIH-ILZDJORESA-N 2 0 333.520 2.831 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCC[NH2+]1 ZINC000877444701 1291237745 /nfs/dbraw/zinc/23/77/45/1291237745.db2.gz OUIIRNWOKLEIIH-YVWKXTFCSA-N 2 0 333.520 2.831 10 30 EFEERP C#CCCCCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000878089504 1291488606 /nfs/dbraw/zinc/48/86/06/1291488606.db2.gz HAPQYYGGSXHCRM-UHFFFAOYSA-N 2 0 327.516 2.930 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001273599023 1292115967 /nfs/dbraw/zinc/11/59/67/1292115967.db2.gz MSFZZGJKDOSMTL-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000883186467 1293498759 /nfs/dbraw/zinc/49/87/59/1293498759.db2.gz SNRALFGGWGXBHB-MOPGFXCFSA-N 2 0 331.504 2.626 10 30 EFEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001273789376 1295772989 /nfs/dbraw/zinc/77/29/89/1295772989.db2.gz HEWUUWMCDHPMRK-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001273789370 1295773049 /nfs/dbraw/zinc/77/30/49/1295773049.db2.gz HEWUUWMCDHPMRK-MSOLQXFVSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]CCCCC)CC2)CC1 ZINC001273802423 1295863634 /nfs/dbraw/zinc/86/36/34/1295863634.db2.gz YOTMRMCTOMSIHW-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001274955985 1296219862 /nfs/dbraw/zinc/21/98/62/1296219862.db2.gz UVJUIZIBPINMHC-SFHVURJKSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001490826186 1296710576 /nfs/dbraw/zinc/71/05/76/1296710576.db2.gz AJVADIULQTXOJR-ZBFHGGJFSA-N 2 0 335.517 2.969 10 30 EFEERP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000929720524 1297201369 /nfs/dbraw/zinc/20/13/69/1297201369.db2.gz YGWKIDYNBZVGOF-IBGZPJMESA-N 2 0 339.483 2.804 10 30 EFEERP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001489094859 1298056505 /nfs/dbraw/zinc/05/65/05/1298056505.db2.gz YWVBMFLCXMXAJW-WOJBJXKFSA-N 2 0 343.515 2.879 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001489203258 1298116416 /nfs/dbraw/zinc/11/64/16/1298116416.db2.gz ZTQSCUYQGJXZGI-ZCNNSNEGSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001489231243 1298143316 /nfs/dbraw/zinc/14/33/16/1298143316.db2.gz KWAJKIDCBCFRCX-AZUAARDMSA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001489231246 1298143574 /nfs/dbraw/zinc/14/35/74/1298143574.db2.gz KWAJKIDCBCFRCX-QUCCMNQESA-N 2 0 345.531 2.778 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001489332795 1298185232 /nfs/dbraw/zinc/18/52/32/1298185232.db2.gz FOBKQHNHSAFOKJ-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000852861864 1299917211 /nfs/dbraw/zinc/91/72/11/1299917211.db2.gz LJCCVJWDJCLKLO-UHFFFAOYSA-N 2 0 339.483 2.657 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001278169717 1313731394 /nfs/dbraw/zinc/73/13/94/1313731394.db2.gz QXVXWBRVZKSEJQ-HXUWFJFHSA-N 2 0 343.515 2.507 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CCCC)CC1 ZINC001278194876 1313770803 /nfs/dbraw/zinc/77/08/03/1313770803.db2.gz VZPACCHTHHDLKB-AZUAARDMSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CCCC)CC1 ZINC001278194880 1313771029 /nfs/dbraw/zinc/77/10/29/1313771029.db2.gz VZPACCHTHHDLKB-QUCCMNQESA-N 2 0 347.547 2.833 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001278274951 1313862786 /nfs/dbraw/zinc/86/27/86/1313862786.db2.gz UDCSSVDGGSZITH-CRAIPNDOSA-N 2 0 326.444 2.802 10 30 EFEERP CSC1(C[NH2+]Cc2cc(C#N)ccc2N(C)C)CC[NH+](C)CC1 ZINC000865574454 1303317070 /nfs/dbraw/zinc/31/70/70/1303317070.db2.gz XATLWIXVQJBQAE-UHFFFAOYSA-N 2 0 332.517 2.541 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001278337120 1314156156 /nfs/dbraw/zinc/15/61/56/1314156156.db2.gz XNLCQWAOWVBAOV-TZIWHRDSSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000900535598 1308274763 /nfs/dbraw/zinc/27/47/63/1308274763.db2.gz RAAJFMWNRNZRJD-IBGZPJMESA-N 2 0 329.488 2.838 10 30 EFEERP C#CCC[NH+]1CCC(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900797160 1308698046 /nfs/dbraw/zinc/69/80/46/1308698046.db2.gz BHJTXJPYJSBPMK-UHFFFAOYSA-N 2 0 338.455 2.508 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000900908319 1308907676 /nfs/dbraw/zinc/90/76/76/1308907676.db2.gz DKIHZNIJSTUNJT-INIZCTEOSA-N 2 0 345.487 2.854 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000900908320 1308907845 /nfs/dbraw/zinc/90/78/45/1308907845.db2.gz DKIHZNIJSTUNJT-MRXNPFEDSA-N 2 0 345.487 2.854 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900918247 1308932572 /nfs/dbraw/zinc/93/25/72/1308932572.db2.gz ORJCAUPBBBTVRN-IBGZPJMESA-N 2 0 329.488 2.617 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001277286393 1311924566 /nfs/dbraw/zinc/92/45/66/1311924566.db2.gz YYVDGLWQEZXXSC-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001277389013 1312099663 /nfs/dbraw/zinc/09/96/63/1312099663.db2.gz XIRQKGXVKCFQNB-VQIMIIECSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001277430210 1312158105 /nfs/dbraw/zinc/15/81/05/1312158105.db2.gz ZRUMOTQFPIJRNR-OALUTQOASA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001277430212 1312158234 /nfs/dbraw/zinc/15/82/34/1312158234.db2.gz ZRUMOTQFPIJRNR-RBUKOAKNSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@]1(C)CCCCO1 ZINC000902981606 1312258554 /nfs/dbraw/zinc/25/85/54/1312258554.db2.gz PSVOXDNPAQHPHO-AZUAARDMSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473881 1312400402 /nfs/dbraw/zinc/40/04/02/1312400402.db2.gz LNMGAZIUPAKTHW-QUCCMNQESA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001277537855 1312527885 /nfs/dbraw/zinc/52/78/85/1312527885.db2.gz NOUGSDVEBICEPG-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001277587524 1312588797 /nfs/dbraw/zinc/58/87/97/1312588797.db2.gz QPZLICARHMHVBB-HSALFYBXSA-N 2 0 343.515 2.638 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278427366 1314574408 /nfs/dbraw/zinc/57/44/08/1314574408.db2.gz SFQGJBMDDIJTBM-OALUTQOASA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001278451122 1314636499 /nfs/dbraw/zinc/63/64/99/1314636499.db2.gz HCJWQLNJAIBHMZ-YQVWRLOYSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC001278453112 1314647919 /nfs/dbraw/zinc/64/79/19/1314647919.db2.gz RFWBGQYQCDMKFP-WSTZPKSXSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001278487163 1314789610 /nfs/dbraw/zinc/78/96/10/1314789610.db2.gz MBQWTSOTWKYYOT-RCCFBDPRSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC(CC)CC)C2)CC1 ZINC001278582892 1315226771 /nfs/dbraw/zinc/22/67/71/1315226771.db2.gz RGZDJZUDJZFZBE-NRFANRHFSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001278656992 1315425375 /nfs/dbraw/zinc/42/53/75/1315425375.db2.gz URLIYKNEXWBQTP-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C ZINC001278690136 1315545344 /nfs/dbraw/zinc/54/53/44/1315545344.db2.gz OQEIIKYIDHDUQA-GOSISDBHSA-N 2 0 345.487 2.585 10 30 EFEERP C=C(C)C[N@@H+](C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001278926285 1315927049 /nfs/dbraw/zinc/92/70/49/1315927049.db2.gz GHEHLMLNLSYBOH-UHFFFAOYSA-N 2 0 335.536 2.853 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001279021968 1316073081 /nfs/dbraw/zinc/07/30/81/1316073081.db2.gz RJVCEGORWWUBHC-ROUUACIJSA-N 2 0 331.504 2.986 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001279034501 1316086279 /nfs/dbraw/zinc/08/62/79/1316086279.db2.gz MQEITVPZIKAJNZ-SFHVURJKSA-N 2 0 329.488 2.506 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001263760306 1316560054 /nfs/dbraw/zinc/56/00/54/1316560054.db2.gz NTVHQDDMIOISOH-IPMKNSEASA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001263863746 1316570194 /nfs/dbraw/zinc/57/01/94/1316570194.db2.gz CISQIVFTTOQFMM-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264096216 1316588623 /nfs/dbraw/zinc/58/86/23/1316588623.db2.gz HTSDLTWIDJEPKC-QYZOEREBSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496980 1316620913 /nfs/dbraw/zinc/62/09/13/1316620913.db2.gz IIFFXHOMWNETHJ-RBUKOAKNSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001264701381 1316657842 /nfs/dbraw/zinc/65/78/42/1316657842.db2.gz RVJKRSVTBVQOJX-QRQLOZEOSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001318643544 1328659187 /nfs/dbraw/zinc/65/91/87/1328659187.db2.gz WVIZAFHKURJBNG-UHFFFAOYSA-N 2 0 326.444 2.851 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001265327259 1316782729 /nfs/dbraw/zinc/78/27/29/1316782729.db2.gz DNPQXUDJOMBQLH-AEFFLSMTSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001265340107 1316785502 /nfs/dbraw/zinc/78/55/02/1316785502.db2.gz FRXVVUPGQRBNPI-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265390324 1316795185 /nfs/dbraw/zinc/79/51/85/1316795185.db2.gz CCPHQBAISMFLLD-GOSISDBHSA-N 2 0 347.547 2.833 10 30 EFEERP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265390263 1316795491 /nfs/dbraw/zinc/79/54/91/1316795491.db2.gz ASZQRVYPBUVTSJ-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001265397046 1316798621 /nfs/dbraw/zinc/79/86/21/1316798621.db2.gz QKLBKVWRASQBIH-GOSISDBHSA-N 2 0 329.488 2.718 10 30 EFEERP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001265544623 1316823424 /nfs/dbraw/zinc/82/34/24/1316823424.db2.gz NHNCGBAEDXTCNJ-RDGPPVDQSA-N 2 0 333.520 2.987 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265624101 1316837337 /nfs/dbraw/zinc/83/73/37/1316837337.db2.gz LAZURKDHIRBVTM-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265697094 1316857745 /nfs/dbraw/zinc/85/77/45/1316857745.db2.gz OCOSTDIRPJXXKC-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697473 1316858366 /nfs/dbraw/zinc/85/83/66/1316858366.db2.gz SPSQFRRWODWQGJ-RTBURBONSA-N 2 0 333.520 2.587 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265702857 1316860847 /nfs/dbraw/zinc/86/08/47/1316860847.db2.gz ISYYZBRZFHKMFF-ROUUACIJSA-N 2 0 347.547 2.879 10 30 EFEERP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705513 1316862843 /nfs/dbraw/zinc/86/28/43/1316862843.db2.gz JXSFZKLWJAHWQV-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705928 1316863419 /nfs/dbraw/zinc/86/34/19/1316863419.db2.gz ORMGBMPSEDMJPR-OALUTQOASA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCCC)CC2)CC1 ZINC001265744248 1316870541 /nfs/dbraw/zinc/87/05/41/1316870541.db2.gz ABPXMKBTVYZJCO-UHFFFAOYSA-N 2 0 333.520 2.539 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001266011573 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HHAAWBRBCKUFQU-IXDOHACOSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@H]2C1 ZINC001279388441 1317252575 /nfs/dbraw/zinc/25/25/75/1317252575.db2.gz MEIIGNSIZCSOEP-ZGXWSNOMSA-N 2 0 347.547 2.853 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001279566257 1317301521 /nfs/dbraw/zinc/30/15/21/1317301521.db2.gz OWLVLAZPUIWEFV-RTBURBONSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001279618468 1317332449 /nfs/dbraw/zinc/33/24/49/1317332449.db2.gz HZYFFBOWVBDMCG-XUVXKRRUSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001318761835 1328692337 /nfs/dbraw/zinc/69/23/37/1328692337.db2.gz WQHMSTPUPJJYDZ-YLJYHZDGSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001280062165 1317444636 /nfs/dbraw/zinc/44/46/36/1317444636.db2.gz KQEUAXGOXQGDQM-OAHLLOKOSA-N 2 0 335.517 2.828 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001280198416 1317473995 /nfs/dbraw/zinc/47/39/95/1317473995.db2.gz RJVXRDWMKWHAHN-LJQANCHMSA-N 2 0 343.515 2.809 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001280252878 1317487591 /nfs/dbraw/zinc/48/75/91/1317487591.db2.gz YFTFVQXDNREIDV-INIZCTEOSA-N 2 0 341.927 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC/C=C/CC)C2)CC1 ZINC001280307185 1317503305 /nfs/dbraw/zinc/50/33/05/1317503305.db2.gz JUMFQOUYEYZVAN-ZMBJWTFHSA-N 2 0 345.531 2.516 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001318805428 1328706811 /nfs/dbraw/zinc/70/68/11/1328706811.db2.gz NVTORHVESXAIOS-MRXNPFEDSA-N 2 0 326.444 2.661 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001280889107 1317879751 /nfs/dbraw/zinc/87/97/51/1317879751.db2.gz JVWJASNBTZRLBS-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001281050120 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QTWPIHDHORGLKN-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001281912252 1318621234 /nfs/dbraw/zinc/62/12/34/1318621234.db2.gz IVXUKCAZSGIJDE-TZIWHRDSSA-N 2 0 341.499 2.810 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001281939576 1318631286 /nfs/dbraw/zinc/63/12/86/1318631286.db2.gz IZLDWRYKOKLPOR-WOJBJXKFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001281980416 1318647000 /nfs/dbraw/zinc/64/70/00/1318647000.db2.gz IGHGLEJYWFCTFU-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2CCCCC2)CC1 ZINC001282497830 1318973240 /nfs/dbraw/zinc/97/32/40/1318973240.db2.gz REAWRGNMSWUXHS-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674494 1319065143 /nfs/dbraw/zinc/06/51/43/1319065143.db2.gz FHKYGWGEHWGSEY-QFBILLFUSA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282834792 1319152418 /nfs/dbraw/zinc/15/24/18/1319152418.db2.gz VZQUEEUGBYNPOQ-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001282959936 1319218992 /nfs/dbraw/zinc/21/89/92/1319218992.db2.gz XDXFOLZMVDTLJB-OTWHNJEPSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001282971680 1319228475 /nfs/dbraw/zinc/22/84/75/1319228475.db2.gz AJFDNELPVBXMOK-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282993162 1319244749 /nfs/dbraw/zinc/24/47/49/1319244749.db2.gz VFARCYIDMPTAOJ-UKAVVXHISA-N 2 0 347.547 2.853 10 30 EFEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001283051955 1319290018 /nfs/dbraw/zinc/29/00/18/1319290018.db2.gz XGOWMVRXGPUJKD-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001283204707 1319422299 /nfs/dbraw/zinc/42/22/99/1319422299.db2.gz MCOYLAYNYDHGGU-CQSZACIVSA-N 2 0 347.850 2.508 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC001319284687 1328831363 /nfs/dbraw/zinc/83/13/63/1328831363.db2.gz IEENCJWCZFEKDL-SFHVURJKSA-N 2 0 347.547 2.644 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001283340862 1319574336 /nfs/dbraw/zinc/57/43/36/1319574336.db2.gz RNAKHEWHOFPEMD-PXNSSMCTSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+][C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001283450182 1319710790 /nfs/dbraw/zinc/71/07/90/1319710790.db2.gz XFCJVZIXFSBMPT-GOSISDBHSA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001283530082 1319793539 /nfs/dbraw/zinc/79/35/39/1319793539.db2.gz KFYHBGVZZQRYCE-UXHICEINSA-N 2 0 345.531 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001283722611 1319998399 /nfs/dbraw/zinc/99/83/99/1319998399.db2.gz LKAZFJBJGFNGDE-ZWKOTPCHSA-N 2 0 341.499 2.529 10 30 EFEERP CC#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCCC1 ZINC001319385983 1328868754 /nfs/dbraw/zinc/86/87/54/1328868754.db2.gz RNGAHJZJTBKKRB-LJQANCHMSA-N 2 0 341.499 2.721 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C/CC)[C@H]2C)CC1 ZINC001284155753 1320242050 /nfs/dbraw/zinc/24/20/50/1320242050.db2.gz WGFLKZQIHHVOLQ-KQPGTDLCSA-N 2 0 345.531 2.657 10 30 EFEERP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001284335943 1320324890 /nfs/dbraw/zinc/32/48/90/1320324890.db2.gz PSIYMFQSRDKMKB-MSOLQXFVSA-N 2 0 329.488 2.692 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001284371430 1320343951 /nfs/dbraw/zinc/34/39/51/1320343951.db2.gz ISNUISVCYXKDOO-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]2C)CCN(Cc2ccccc2)CC1 ZINC001284731011 1320496930 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ZINC001327514096 1330492716 /nfs/dbraw/zinc/49/27/16/1330492716.db2.gz RXOBBVDYJQLPFW-XLIONFOSSA-N 2 0 343.515 2.836 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001327514098 1330492894 /nfs/dbraw/zinc/49/28/94/1330492894.db2.gz RXOBBVDYJQLPFW-YLJYHZDGSA-N 2 0 343.515 2.836 10 30 EFEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001327982397 1330538028 /nfs/dbraw/zinc/53/80/28/1330538028.db2.gz PZEBEKZYFRJAQE-SFHVURJKSA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC/C=C/CC)CC2)CC1 ZINC001328049985 1330546215 /nfs/dbraw/zinc/54/62/15/1330546215.db2.gz JXWKXRBAAHGDFL-VOTSOKGWSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001328102197 1330557210 /nfs/dbraw/zinc/55/72/10/1330557210.db2.gz KUUGTMGUOWNWAU-LJQANCHMSA-N 2 0 343.515 2.564 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001328588023 1330605455 /nfs/dbraw/zinc/60/54/55/1330605455.db2.gz PDDSVNNSUNSOOM-HKUYNNGSSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001328686593 1330615876 /nfs/dbraw/zinc/61/58/76/1330615876.db2.gz JEBGDQZYQQZPJQ-FBBABVLZSA-N 2 0 341.499 2.809 10 30 EFEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001328693765 1330616533 /nfs/dbraw/zinc/61/65/33/1330616533.db2.gz NMJUEGKACJFFEB-VAMGGRTRSA-N 2 0 341.499 2.502 10 30 EFEERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001329110842 1330668467 /nfs/dbraw/zinc/66/84/67/1330668467.db2.gz QHYLCOGYQJDUPZ-HZPDHXFCSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001329231023 1330683971 /nfs/dbraw/zinc/68/39/71/1330683971.db2.gz PHGBQTPDLCOIPX-CTWPCTMYSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001329240898 1330684934 /nfs/dbraw/zinc/68/49/34/1330684934.db2.gz MXELIRWKGZHAII-UHFFFAOYSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001329291798 1330690689 /nfs/dbraw/zinc/69/06/89/1330690689.db2.gz YLODXNVOLBQMBL-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329923462 1330751821 /nfs/dbraw/zinc/75/18/21/1330751821.db2.gz LKNHKVWIEZPSDT-RTBURBONSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329940518 1330754202 /nfs/dbraw/zinc/75/42/02/1330754202.db2.gz XVPXLRLWAXXOKY-LJQANCHMSA-N 2 0 347.547 2.883 10 30 EFEERP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001331199288 1330804842 /nfs/dbraw/zinc/80/48/42/1330804842.db2.gz FSMYYEUGCVUMEV-RTBURBONSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001331903317 1330888308 /nfs/dbraw/zinc/88/83/08/1330888308.db2.gz PIGAAJQTVMWVAW-QAPCUYQASA-N 2 0 326.444 2.802 10 30 EFEERP C=CC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001332990774 1331060669 /nfs/dbraw/zinc/06/06/69/1331060669.db2.gz AHLOZUSKJMALLD-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001333363163 1331125298 /nfs/dbraw/zinc/12/52/98/1331125298.db2.gz AAJYFHIKYYUCSS-MOPGFXCFSA-N 2 0 331.504 2.718 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(F)c1 ZINC001333473054 1331151642 /nfs/dbraw/zinc/15/16/42/1331151642.db2.gz JPSOKTVCUUQRIL-LJQANCHMSA-N 2 0 347.478 2.838 10 30 EFEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001341221419 1332243774 /nfs/dbraw/zinc/24/37/74/1332243774.db2.gz XXONHKCWJHSIKN-DLBZAZTESA-N 2 0 343.471 2.514 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c(s1)C[NH2+]CC2)C(C)C ZINC001341661039 1332274404 /nfs/dbraw/zinc/27/44/04/1332274404.db2.gz BBFXSJCALGEAQF-INIZCTEOSA-N 2 0 347.528 2.822 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366224952 1337457520 /nfs/dbraw/zinc/45/75/20/1337457520.db2.gz HXNUVORGABQTAG-JKSUJKDBSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366224950 1337457540 /nfs/dbraw/zinc/45/75/40/1337457540.db2.gz HXNUVORGABQTAG-HOTGVXAUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001366515388 1337656633 /nfs/dbraw/zinc/65/66/33/1337656633.db2.gz YAYWLERJCVKJMH-CVEARBPZSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001366777073 1337995253 /nfs/dbraw/zinc/99/52/53/1337995253.db2.gz AYARCUXOKFWYEV-DOTOQJQBSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001367161378 1338460417 /nfs/dbraw/zinc/46/04/17/1338460417.db2.gz QHKHTVYVYVTPNY-HOTGVXAUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001367321188 1338618663 /nfs/dbraw/zinc/61/86/63/1338618663.db2.gz DFLMVHCCGSYGAD-JKSUJKDBSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001368353625 1339312778 /nfs/dbraw/zinc/31/27/78/1339312778.db2.gz SZSUEUVQRSXMAD-PBHICJAKSA-N 2 0 341.927 2.543 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001370826567 1340221811 /nfs/dbraw/zinc/22/18/11/1340221811.db2.gz HNTSBLFIJRHPCU-SJORKVTESA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001372990634 1340865575 /nfs/dbraw/zinc/86/55/75/1340865575.db2.gz GJXAYDGIHOOKDY-NVXWUHKLSA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001375691600 1342932594 /nfs/dbraw/zinc/93/25/94/1342932594.db2.gz XRFWXIXYKKNNDM-OAHLLOKOSA-N 2 0 329.916 2.688 10 30 EFEERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001377860496 1344521574 /nfs/dbraw/zinc/52/15/74/1344521574.db2.gz VMSBPKWBSLVGQF-HZPDHXFCSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001378770462 1345303884 /nfs/dbraw/zinc/30/38/84/1345303884.db2.gz BTYYYAXWVLCPOJ-HZPDHXFCSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001379135259 1345613374 /nfs/dbraw/zinc/61/33/74/1345613374.db2.gz VSZCUHCNJGTBPY-HOTGVXAUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001380175994 1347550201 /nfs/dbraw/zinc/55/02/01/1347550201.db2.gz QIRJSRBWFWRXFC-OFLPRAFFSA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001380443634 1347674860 /nfs/dbraw/zinc/67/48/60/1347674860.db2.gz QUEXJGQRMXDZAG-SJLPKXTDSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001380788249 1347878985 /nfs/dbraw/zinc/87/89/85/1347878985.db2.gz FDZDHAMWUKCTGQ-WKILWMFISA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001381125403 1348093062 /nfs/dbraw/zinc/09/30/62/1348093062.db2.gz DCASIBNCBXXFJN-HZPDHXFCSA-N 2 0 339.911 2.727 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001388836693 1353075452 /nfs/dbraw/zinc/07/54/52/1353075452.db2.gz UCPHBYDIKYPPRT-HNNXBMFYSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)CC(C)(C)C1 ZINC001388846035 1353085708 /nfs/dbraw/zinc/08/57/08/1353085708.db2.gz ZXUOEIJCNPJSSN-OAHLLOKOSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001390148925 1353863161 /nfs/dbraw/zinc/86/31/61/1353863161.db2.gz GUKMWMBRQKVFHK-DLBZAZTESA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001390566401 1354176996 /nfs/dbraw/zinc/17/69/96/1354176996.db2.gz ZIXFRWKFTGEOSB-IRXDYDNUSA-N 2 0 335.879 2.622 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001391812065 1355554875 /nfs/dbraw/zinc/55/48/75/1355554875.db2.gz QNMRYDIXLAOHHR-YOEHRIQHSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001391812056 1355554944 /nfs/dbraw/zinc/55/49/44/1355554944.db2.gz QNMRYDIXLAOHHR-RHSMWYFYSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001393074194 1356563565 /nfs/dbraw/zinc/56/35/65/1356563565.db2.gz UQNNBLLECSGDNL-IAGOWNOFSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001393493892 1356896026 /nfs/dbraw/zinc/89/60/26/1356896026.db2.gz UKQKXQXUJLSMNQ-BRWVUGGUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001398469327 1360585657 /nfs/dbraw/zinc/58/56/57/1360585657.db2.gz GSKRCFMPJMZJGP-BBWFWOEESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001400208572 1361845012 /nfs/dbraw/zinc/84/50/12/1361845012.db2.gz XUCIPJIUEJEMBQ-IAGOWNOFSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072345 1362412760 /nfs/dbraw/zinc/41/27/60/1362412760.db2.gz JCWZMMPCUSTEHD-QAPCUYQASA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001402107979 1363414655 /nfs/dbraw/zinc/41/46/55/1363414655.db2.gz RDSOTUZBAHYHKW-IRXDYDNUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001402386134 1363642486 /nfs/dbraw/zinc/64/24/86/1363642486.db2.gz UYCMONZWDLCUCY-DLBZAZTESA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001402386141 1363642943 /nfs/dbraw/zinc/64/29/43/1363642943.db2.gz UYCMONZWDLCUCY-IAGOWNOFSA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001403481312 1364687947 /nfs/dbraw/zinc/68/79/47/1364687947.db2.gz PZPSGEJHUWOEJG-MRXNPFEDSA-N 2 0 329.916 2.591 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001403594816 1364798561 /nfs/dbraw/zinc/79/85/61/1364798561.db2.gz JVMVGFHDAKHWRG-DOTOQJQBSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001403813215 1364968451 /nfs/dbraw/zinc/96/84/51/1364968451.db2.gz FAOPYUYZIYUGKI-AWEZNQCLSA-N 2 0 329.916 2.543 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001408105583 1369611276 /nfs/dbraw/zinc/61/12/76/1369611276.db2.gz GPYDNMXUUOFCRQ-OAHLLOKOSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001419406623 1375233816 /nfs/dbraw/zinc/23/38/16/1375233816.db2.gz UJMAGCURNRJEQJ-QGZVFWFLSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001419714598 1375758892 /nfs/dbraw/zinc/75/88/92/1375758892.db2.gz BBRWDWDATXICNF-DOTOQJQBSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001420161139 1376519700 /nfs/dbraw/zinc/51/97/00/1376519700.db2.gz WEMZZTYVHONUJU-NXHRZFHOSA-N 2 0 349.906 2.569 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119507 1379639053 /nfs/dbraw/zinc/63/90/53/1379639053.db2.gz KRIMAXREWFJDAB-HZPDHXFCSA-N 2 0 329.916 2.591 10 30 EFEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001438458245 1388623711 /nfs/dbraw/zinc/62/37/11/1388623711.db2.gz FVFGVAXXAIBBSK-DLBZAZTESA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001422208944 1379775769 /nfs/dbraw/zinc/77/57/69/1379775769.db2.gz FRQCQFVEAKCBFB-UHFFFAOYSA-N 2 0 329.916 2.640 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001422272323 1379888461 /nfs/dbraw/zinc/88/84/61/1379888461.db2.gz HKZDMNZBVPMDSN-UHFFFAOYSA-N 2 0 335.879 2.599 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001424383785 1382974904 /nfs/dbraw/zinc/97/49/04/1382974904.db2.gz SOTUOOPBUYCKNG-OAHLLOKOSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001438828104 1388844986 /nfs/dbraw/zinc/84/49/86/1388844986.db2.gz LVCCOBGEYAGLBY-WMLDXEAASA-N 2 0 347.906 2.682 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001425145223 1383522538 /nfs/dbraw/zinc/52/25/38/1383522538.db2.gz ZMVXHUHJPKIGGU-BZUAXINKSA-N 2 0 329.916 2.542 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439414542 1389270007 /nfs/dbraw/zinc/27/00/07/1389270007.db2.gz BMEPVUDVJOLFCO-HZPDHXFCSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439414541 1389270246 /nfs/dbraw/zinc/27/02/46/1389270246.db2.gz BMEPVUDVJOLFCO-HOTGVXAUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001440225984 1389456105 /nfs/dbraw/zinc/45/61/05/1389456105.db2.gz VFQMGSNCAUNXLO-HNNXBMFYSA-N 2 0 347.890 2.802 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001440604324 1389768267 /nfs/dbraw/zinc/76/82/67/1389768267.db2.gz OLTAXEYYYWTJMR-OAHLLOKOSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CC1(C)C ZINC001441921060 1391439198 /nfs/dbraw/zinc/43/91/98/1391439198.db2.gz DIVYQGCUYUZCIQ-GJZGRUSLSA-N 2 0 329.916 2.686 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001506960382 1406506134 /nfs/dbraw/zinc/50/61/34/1406506134.db2.gz AQOMRTCMQKWYPW-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001506978573 1406538693 /nfs/dbraw/zinc/53/86/93/1406538693.db2.gz ADJIYBJOVJLSNI-PMACEKPBSA-N 2 0 341.499 2.721 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001506979289 1406540469 /nfs/dbraw/zinc/54/04/69/1406540469.db2.gz MQSAMZILRPTQEU-FQEVSTJZSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001467407616 1396851433 /nfs/dbraw/zinc/85/14/33/1396851433.db2.gz BAIZNUHMHFBPOU-SFHVURJKSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001507296587 1406861221 /nfs/dbraw/zinc/86/12/21/1406861221.db2.gz JQDCOMCAQPVICL-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001479241980 1397634542 /nfs/dbraw/zinc/63/45/42/1397634542.db2.gz TZEJLCKMJGWTOJ-FHWLQOOXSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479246302 1397638878 /nfs/dbraw/zinc/63/88/78/1397638878.db2.gz MQNWGYVFCMCIFX-LPHOPBHVSA-N 2 0 339.499 2.698 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001479479648 1397733856 /nfs/dbraw/zinc/73/38/56/1397733856.db2.gz PLZDNMXYPFGWJP-IXDOHACOSA-N 2 0 341.927 2.878 10 30 EFEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001479487050 1397735693 /nfs/dbraw/zinc/73/56/93/1397735693.db2.gz PUOSUJMTBLKCPL-DFQSSKMNSA-N 2 0 341.499 2.577 10 30 EFEERP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001479502315 1397739189 /nfs/dbraw/zinc/73/91/89/1397739189.db2.gz NPIZPENPAXLJKG-GOSISDBHSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001479502318 1397739291 /nfs/dbraw/zinc/73/92/91/1397739291.db2.gz NPIZPENPAXLJKG-SFHVURJKSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001479501593 1397739344 /nfs/dbraw/zinc/73/93/44/1397739344.db2.gz KYEXFMDLTOZAAA-ZWKOTPCHSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479524360 1397750660 /nfs/dbraw/zinc/75/06/60/1397750660.db2.gz QDXWOQUBQVTQTM-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479525018 1397750771 /nfs/dbraw/zinc/75/07/71/1397750771.db2.gz DAFUYASETOLYHD-PXNSSMCTSA-N 2 0 347.547 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]C[C@@H](C)CC)C2)CC1 ZINC001479695781 1397767208 /nfs/dbraw/zinc/76/72/08/1397767208.db2.gz OQNPTQLAUSCANO-AZUAARDMSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479739327 1397792814 /nfs/dbraw/zinc/79/28/14/1397792814.db2.gz VHZTZUNYKXOKJZ-IBGZPJMESA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479833810 1397928840 /nfs/dbraw/zinc/92/88/40/1397928840.db2.gz LMWAJAQXLJXQKV-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001479887801 1398002285 /nfs/dbraw/zinc/00/22/85/1398002285.db2.gz RAKMTNSOJCTIAP-APWZRJJASA-N 2 0 333.520 2.606 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001479993091 1398078480 /nfs/dbraw/zinc/07/84/80/1398078480.db2.gz JQOJXGQIUCTDKK-SFHVURJKSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189838 1398158550 /nfs/dbraw/zinc/15/85/50/1398158550.db2.gz SVHDHTQCQXBEPF-UXHICEINSA-N 2 0 345.531 2.589 10 30 EFEERP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189839 1398158639 /nfs/dbraw/zinc/15/86/39/1398158639.db2.gz SVHDHTQCQXBEPF-VQTJNVASSA-N 2 0 345.531 2.589 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001480365065 1398179090 /nfs/dbraw/zinc/17/90/90/1398179090.db2.gz NBZWQHVSGUMGNY-PMACEKPBSA-N 2 0 341.499 2.673 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480660865 1398268576 /nfs/dbraw/zinc/26/85/76/1398268576.db2.gz JLEVCUWIZWFOQJ-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001507356463 1406944857 /nfs/dbraw/zinc/94/48/57/1406944857.db2.gz PNDCXYCOFUTZCF-UYAOXDASSA-N 2 0 333.520 2.942 10 30 EFEERP C#CCC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001507361075 1406952155 /nfs/dbraw/zinc/95/21/55/1406952155.db2.gz ZLKRSZDDAOHEER-TZIWHRDSSA-N 2 0 345.531 2.778 10 30 EFEERP C#CCC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001507361073 1406952225 /nfs/dbraw/zinc/95/22/25/1406952225.db2.gz ZLKRSZDDAOHEER-FPOVZHCZSA-N 2 0 345.531 2.778 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001493205212 1398530798 /nfs/dbraw/zinc/53/07/98/1398530798.db2.gz CXHOPLYIPCBFEN-PKOBYXMFSA-N 2 0 335.536 2.737 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001493267000 1398574931 /nfs/dbraw/zinc/57/49/31/1398574931.db2.gz LZTNIUMQCJNTAF-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001493827557 1398907593 /nfs/dbraw/zinc/90/75/93/1398907593.db2.gz NYOWDBZCTLCTSV-AWEZNQCLSA-N 2 0 335.517 2.826 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001493880057 1398948325 /nfs/dbraw/zinc/94/83/25/1398948325.db2.gz ZEKZBECTKKCYPA-IBGZPJMESA-N 2 0 335.536 2.737 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001493889025 1398955972 /nfs/dbraw/zinc/95/59/72/1398955972.db2.gz MKNQBRORIKPATI-WOJBJXKFSA-N 2 0 341.499 2.742 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001493891614 1398957827 /nfs/dbraw/zinc/95/78/27/1398957827.db2.gz DORUHCFQBVHWPQ-SFHVURJKSA-N 2 0 329.488 2.884 10 30 EFEERP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001494213755 1399217579 /nfs/dbraw/zinc/21/75/79/1399217579.db2.gz AURFYCXZRUDGKM-IYBDPMFKSA-N 2 0 341.927 2.782 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001494679771 1399427930 /nfs/dbraw/zinc/42/79/30/1399427930.db2.gz MMEUAEPOWAAUOF-NEWSRXKRSA-N 2 0 333.520 2.747 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494861827 1399511626 /nfs/dbraw/zinc/51/16/26/1399511626.db2.gz KNVYYJXKAXOCGB-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP CC[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001495050342 1399627104 /nfs/dbraw/zinc/62/71/04/1399627104.db2.gz LZTIOOZRMNCOAW-GOSISDBHSA-N 2 0 349.906 2.518 10 30 EFEERP CC[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001495051471 1399628399 /nfs/dbraw/zinc/62/83/99/1399628399.db2.gz RUROIDFGHFGFSN-GOSISDBHSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001495302708 1399812633 /nfs/dbraw/zinc/81/26/33/1399812633.db2.gz KONXJTXFHJYVEC-FQEVSTJZSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001507443757 1407059742 /nfs/dbraw/zinc/05/97/42/1407059742.db2.gz MNCSMKVNZCDUHK-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CCCCC)C2)CC1 ZINC001495393011 1399938025 /nfs/dbraw/zinc/93/80/25/1399938025.db2.gz JZLJMWMLYALQCL-LJQANCHMSA-N 2 0 347.547 2.740 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC/C=C/CC)CC1 ZINC001495415874 1399961051 /nfs/dbraw/zinc/96/10/51/1399961051.db2.gz NIEOVVOMCHUOCO-XJDXJNMNSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001495495754 1400029231 /nfs/dbraw/zinc/02/92/31/1400029231.db2.gz GZICOZHMXBRDCJ-IBGZPJMESA-N 2 0 329.488 2.841 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001495598826 1400105940 /nfs/dbraw/zinc/10/59/40/1400105940.db2.gz LGZCJFGOZRWQDV-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001495602078 1400111186 /nfs/dbraw/zinc/11/11/86/1400111186.db2.gz ZTIALCPPADHGHQ-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCC1 ZINC001495923201 1400356528 /nfs/dbraw/zinc/35/65/28/1400356528.db2.gz COUXEKJJGWEERZ-UHFFFAOYSA-N 2 0 333.520 2.681 10 30 EFEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001496349891 1400660187 /nfs/dbraw/zinc/66/01/87/1400660187.db2.gz GEYURHUASZQPJX-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001496358777 1400670009 /nfs/dbraw/zinc/67/00/09/1400670009.db2.gz CUPMWYBGVAEVFH-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001496504905 1400780485 /nfs/dbraw/zinc/78/04/85/1400780485.db2.gz MEKOVEOUJNYQOA-HXUWFJFHSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498489961 1402142213 /nfs/dbraw/zinc/14/22/13/1402142213.db2.gz LRMCTGUOROZOGP-QUCCMNQESA-N 2 0 347.547 2.929 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001498613373 1402202332 /nfs/dbraw/zinc/20/23/32/1402202332.db2.gz CWJAQIABCZJIDU-MSOLQXFVSA-N 2 0 349.906 2.522 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001508029264 1407248705 /nfs/dbraw/zinc/24/87/05/1407248705.db2.gz DMAUUQOXHLSONM-OALUTQOASA-N 2 0 343.515 2.823 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001498890093 1402362139 /nfs/dbraw/zinc/36/21/39/1402362139.db2.gz PSXXNUAQPGFSCA-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001498899141 1402368306 /nfs/dbraw/zinc/36/83/06/1402368306.db2.gz SFFAJTZHUVUGNQ-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001498899143 1402368373 /nfs/dbraw/zinc/36/83/73/1402368373.db2.gz SFFAJTZHUVUGNQ-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001499526834 1402661868 /nfs/dbraw/zinc/66/18/68/1402661868.db2.gz XSUGVAFHALBTGN-VQTJNVASSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001499530309 1402665956 /nfs/dbraw/zinc/66/59/56/1402665956.db2.gz OZBUREFLHQRUDB-GOSISDBHSA-N 2 0 333.520 2.607 10 30 EFEERP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001499576583 1402694478 /nfs/dbraw/zinc/69/44/78/1402694478.db2.gz LRFXKFYRXSAIIZ-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001499603036 1402710856 /nfs/dbraw/zinc/71/08/56/1402710856.db2.gz MMSNQEFZGBGAFF-NLWGTHIKSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001499747285 1402767836 /nfs/dbraw/zinc/76/78/36/1402767836.db2.gz MAYCSLOUDCRAAS-HNAYVOBHSA-N 2 0 339.499 2.696 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001508084697 1407290262 /nfs/dbraw/zinc/29/02/62/1407290262.db2.gz DKECQUJBKYKZRV-SJORKVTESA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CCCCCC)CC2)CC1 ZINC001500012932 1402900808 /nfs/dbraw/zinc/90/08/08/1402900808.db2.gz ORNVHMMQAAXFMD-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500051422 1402914449 /nfs/dbraw/zinc/91/44/49/1402914449.db2.gz FLPXUQPSEJLJFA-SFHVURJKSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001508142051 1407313658 /nfs/dbraw/zinc/31/36/58/1407313658.db2.gz UHABMFFHXSESFV-UHFFFAOYSA-N 2 0 329.488 2.907 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018453 1403407054 /nfs/dbraw/zinc/40/70/54/1403407054.db2.gz CHBCGJVTYOYWSU-SLFFLAALSA-N 2 0 343.515 2.912 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1CC ZINC001501018456 1403407132 /nfs/dbraw/zinc/40/71/32/1403407132.db2.gz CHBCGJVTYOYWSU-XUVXKRRUSA-N 2 0 343.515 2.912 10 30 EFEERP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001501147388 1403459534 /nfs/dbraw/zinc/45/95/34/1403459534.db2.gz XBZLTHQOMDFZQC-MSOLQXFVSA-N 2 0 335.536 2.737 10 30 EFEERP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001501169897 1403473384 /nfs/dbraw/zinc/47/33/84/1403473384.db2.gz IEEWFDLYFRRKNM-AKHDSKFASA-N 2 0 333.520 2.654 10 30 EFEERP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C2 ZINC001501172442 1403475358 /nfs/dbraw/zinc/47/53/58/1403475358.db2.gz WTFOTUPZVKKORW-BJWYYQGGSA-N 2 0 341.927 2.830 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001501181507 1403479635 /nfs/dbraw/zinc/47/96/35/1403479635.db2.gz PJRQFQQMOWUFCU-MUGJNUQGSA-N 2 0 345.531 2.539 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001501197322 1403487627 /nfs/dbraw/zinc/48/76/27/1403487627.db2.gz IDECTHDMYPXAGT-UHFFFAOYSA-N 2 0 329.488 2.523 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001501196208 1403487957 /nfs/dbraw/zinc/48/79/57/1403487957.db2.gz VEBOTZOUXDQSOZ-UHFFFAOYSA-N 2 0 341.499 2.667 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001501221812 1403498666 /nfs/dbraw/zinc/49/86/66/1403498666.db2.gz LPVPGGIFZNGEND-YRXWBPOGSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001508208557 1407348544 /nfs/dbraw/zinc/34/85/44/1407348544.db2.gz JDZGAGCZVIADCM-UHFFFAOYSA-N 2 0 331.504 2.577 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001501586883 1403637144 /nfs/dbraw/zinc/63/71/44/1403637144.db2.gz NKXHTKGLHFATQE-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCCC(C)C)C2)CC1 ZINC001501650793 1403667415 /nfs/dbraw/zinc/66/74/15/1403667415.db2.gz IRRQTJBBCRCNID-IBGZPJMESA-N 2 0 347.547 2.596 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001508211927 1407350021 /nfs/dbraw/zinc/35/00/21/1407350021.db2.gz CWNNTOUXILPTNC-KRWDZBQOSA-N 2 0 333.520 2.964 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001501737145 1403754601 /nfs/dbraw/zinc/75/46/01/1403754601.db2.gz LIKMAVJMHCYQEG-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001501961651 1403907838 /nfs/dbraw/zinc/90/78/38/1403907838.db2.gz FMMDCALVMPZIDT-SFHVURJKSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)c(F)c1 ZINC001508234466 1407370875 /nfs/dbraw/zinc/37/08/75/1407370875.db2.gz AKPSBGINWYYASU-UHFFFAOYSA-N 2 0 333.451 2.592 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502501813 1404202685 /nfs/dbraw/zinc/20/26/85/1404202685.db2.gz NRRFVTIBLPESLD-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001502545673 1404234957 /nfs/dbraw/zinc/23/49/57/1404234957.db2.gz FKBFJCWRGOYSNW-UYAOXDASSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001502648057 1404280856 /nfs/dbraw/zinc/28/08/56/1404280856.db2.gz DHTGITIRWRJVBY-OXQOHEQNSA-N 2 0 341.499 2.925 10 30 EFEERP C=CCC[N@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001502650979 1404284343 /nfs/dbraw/zinc/28/43/43/1404284343.db2.gz UBAQWBIYCLCGTA-UHFFFAOYSA-N 2 0 327.472 2.536 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001502741296 1404319433 /nfs/dbraw/zinc/31/94/33/1404319433.db2.gz CCVSYOFGASZVEY-ICSRJNTNSA-N 2 0 343.515 2.564 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830011 1404381783 /nfs/dbraw/zinc/38/17/83/1404381783.db2.gz CHHSFMAXZNFVAF-LJQANCHMSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001503678298 1404497841 /nfs/dbraw/zinc/49/78/41/1404497841.db2.gz OCWQWICVDMVJMV-IBGZPJMESA-N 2 0 329.488 2.620 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001503763467 1404508314 /nfs/dbraw/zinc/50/83/14/1404508314.db2.gz BTDGJWGAEVWVHR-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001505396567 1404548670 /nfs/dbraw/zinc/54/86/70/1404548670.db2.gz KVPHMKODZIXDHD-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505437708 1404608057 /nfs/dbraw/zinc/60/80/57/1404608057.db2.gz XLDFLUQCVYQCBE-MOPGFXCFSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001505446985 1404640239 /nfs/dbraw/zinc/64/02/39/1404640239.db2.gz WUWZMCIFXQSBNY-LPHOPBHVSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001505465854 1404692166 /nfs/dbraw/zinc/69/21/66/1404692166.db2.gz NLBFZZASIFKTOE-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001505471889 1404706095 /nfs/dbraw/zinc/70/60/95/1404706095.db2.gz COLYPIWZUMYHQH-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001505476346 1404714186 /nfs/dbraw/zinc/71/41/86/1404714186.db2.gz XEEPDHARUFNRNC-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCC2CCCC2)CC1 ZINC001506064825 1405423909 /nfs/dbraw/zinc/42/39/09/1405423909.db2.gz DFBMBUQFCHNCPZ-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001506179563 1405510389 /nfs/dbraw/zinc/51/03/89/1405510389.db2.gz RIVLUYATACFVPN-OALUTQOASA-N 2 0 335.536 2.757 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001506588732 1406014295 /nfs/dbraw/zinc/01/42/95/1406014295.db2.gz ZCJXRAGOPSIZID-IBGZPJMESA-N 2 0 333.520 2.637 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001565908708 1415448180 /nfs/dbraw/zinc/44/81/80/1415448180.db2.gz WOEWPJWARYUNPI-FCEWJHQRSA-N 2 0 339.499 2.650 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001565941064 1415459260 /nfs/dbraw/zinc/45/92/60/1415459260.db2.gz HZORTXGLJXXBSY-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001565942303 1415460016 /nfs/dbraw/zinc/46/00/16/1415460016.db2.gz XLVOPOCSRKDXJQ-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001565994393 1415474214 /nfs/dbraw/zinc/47/42/14/1415474214.db2.gz FYFGWAMWNBRVRG-QRQLOZEOSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001566000550 1415477740 /nfs/dbraw/zinc/47/77/40/1415477740.db2.gz HECBZBYSUGWQIC-WOJBJXKFSA-N 2 0 343.515 2.879 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001566002383 1415479700 /nfs/dbraw/zinc/47/97/00/1415479700.db2.gz ZASNLCABKHVBCC-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001566533259 1415621264 /nfs/dbraw/zinc/62/12/64/1415621264.db2.gz LNWJQCMSRAHIOZ-PXNSSMCTSA-N 2 0 343.515 2.950 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001566625903 1415703173 /nfs/dbraw/zinc/70/31/73/1415703173.db2.gz TXQSFLODMQGGEO-IEBWSBKVSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001566632552 1415707516 /nfs/dbraw/zinc/70/75/16/1415707516.db2.gz AHLONKPPQWWVDC-IBGZPJMESA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001566695212 1415736378 /nfs/dbraw/zinc/73/63/78/1415736378.db2.gz WPIJJRZDZWDLEU-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001566697550 1415736968 /nfs/dbraw/zinc/73/69/68/1415736968.db2.gz DNGHQPBKDBGWPW-IBGZPJMESA-N 2 0 333.520 2.586 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001566699060 1415737820 /nfs/dbraw/zinc/73/78/20/1415737820.db2.gz AENNJXQJYJUPBM-ROUUACIJSA-N 2 0 333.520 2.586 10 30 EFEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001566697701 1415737858 /nfs/dbraw/zinc/73/78/58/1415737858.db2.gz KJIGNROENZKFKL-HKUYNNGSSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001566759045 1415766383 /nfs/dbraw/zinc/76/63/83/1415766383.db2.gz YXJOMQPCMJZMNM-QRVBRYPASA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001566849122 1415798241 /nfs/dbraw/zinc/79/82/41/1415798241.db2.gz DFKWPEIUHMMVEX-SCTDSRPQSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566878473 1415819402 /nfs/dbraw/zinc/81/94/02/1415819402.db2.gz QVPHKXQLYKVDFC-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001566893174 1415827824 /nfs/dbraw/zinc/82/78/24/1415827824.db2.gz AUIIEPUOWXNYSA-OAHLLOKOSA-N 2 0 335.517 2.828 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566895331 1415828336 /nfs/dbraw/zinc/82/83/36/1415828336.db2.gz GTYGCOPIPBPIII-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566895333 1415828470 /nfs/dbraw/zinc/82/84/70/1415828470.db2.gz GTYGCOPIPBPIII-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566913516 1415840314 /nfs/dbraw/zinc/84/03/14/1415840314.db2.gz RHDDPDPWXQMJAU-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566913517 1415840602 /nfs/dbraw/zinc/84/06/02/1415840602.db2.gz RHDDPDPWXQMJAU-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001566916334 1415842179 /nfs/dbraw/zinc/84/21/79/1415842179.db2.gz KBXHZHDYMNFULM-QGZVFWFLSA-N 2 0 345.487 2.587 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001566938569 1415858388 /nfs/dbraw/zinc/85/83/88/1415858388.db2.gz TYIBHZRVHRLUCA-AZUAARDMSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001566954081 1415866611 /nfs/dbraw/zinc/86/66/11/1415866611.db2.gz RFNTVSJQAGEIDO-KRWDZBQOSA-N 2 0 341.927 2.976 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566962971 1415876652 /nfs/dbraw/zinc/87/66/52/1415876652.db2.gz OHCOVGDHSKSAHS-QZTJIDSGSA-N 2 0 347.547 2.879 10 30 EFEERP C#CCC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001566985993 1415890468 /nfs/dbraw/zinc/89/04/68/1415890468.db2.gz XASVQWPFUHQUEW-UHFFFAOYSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001567155869 1415956178 /nfs/dbraw/zinc/95/61/78/1415956178.db2.gz ZDOPJCHQOYNXNH-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567169751 1415967374 /nfs/dbraw/zinc/96/73/74/1415967374.db2.gz RKCAUMRNZZUBKZ-QZTJIDSGSA-N 2 0 333.520 2.681 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178994 1415973646 /nfs/dbraw/zinc/97/36/46/1415973646.db2.gz ULDAIYIKDOETPS-WOJBJXKFSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567193615 1415986177 /nfs/dbraw/zinc/98/61/77/1415986177.db2.gz XTCXAUNWXJJJQM-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567199069 1415990634 /nfs/dbraw/zinc/99/06/34/1415990634.db2.gz BWMWAFVRTAZIRT-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001567255747 1416027188 /nfs/dbraw/zinc/02/71/88/1416027188.db2.gz XCMAEDDCQJCLOJ-UYAOXDASSA-N 2 0 345.531 2.778 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567409391 1416123290 /nfs/dbraw/zinc/12/32/90/1416123290.db2.gz GWPQKKCLRINRPI-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001567634285 1416219123 /nfs/dbraw/zinc/21/91/23/1416219123.db2.gz LXZOXGMBSPMPOA-QGZVFWFLSA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccc(C(C)C)cc1 ZINC001567654494 1416233556 /nfs/dbraw/zinc/23/35/56/1416233556.db2.gz SMLWHXOBIOJLTC-LJQANCHMSA-N 2 0 329.488 2.839 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001567665777 1416237885 /nfs/dbraw/zinc/23/78/85/1416237885.db2.gz LNKWCVCBSLYMAV-LJQANCHMSA-N 2 0 329.488 2.886 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567685213 1416246709 /nfs/dbraw/zinc/24/67/09/1416246709.db2.gz BJUBWDYRKBIGGY-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567685214 1416247402 /nfs/dbraw/zinc/24/74/02/1416247402.db2.gz BJUBWDYRKBIGGY-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567735819 1416264742 /nfs/dbraw/zinc/26/47/42/1416264742.db2.gz QJIPTAKYAOFIEA-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567774617 1416280337 /nfs/dbraw/zinc/28/03/37/1416280337.db2.gz FSAXUUOXGBKNIL-INIZCTEOSA-N 2 0 326.444 2.803 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001568043742 1416373592 /nfs/dbraw/zinc/37/35/92/1416373592.db2.gz OORSNKAFSDDRRN-YLJYHZDGSA-N 2 0 333.520 2.703 10 30 EFEERP C#CC[NH2+]C[C@]1(NC(=O)CCC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001568043303 1416373879 /nfs/dbraw/zinc/37/38/79/1416373879.db2.gz IDQAWNSMWZVUEK-AZUAARDMSA-N 2 0 333.520 2.540 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001568056572 1416382601 /nfs/dbraw/zinc/38/26/01/1416382601.db2.gz GHUMULWSCGJZBO-MJGOQNOKSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001568056573 1416382757 /nfs/dbraw/zinc/38/27/57/1416382757.db2.gz GHUMULWSCGJZBO-PKOBYXMFSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001568061917 1416386729 /nfs/dbraw/zinc/38/67/29/1416386729.db2.gz QZYDCEUIAKWDII-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001568072719 1416396120 /nfs/dbraw/zinc/39/61/20/1416396120.db2.gz GRXZRTNZQXQRNO-ICSRJNTNSA-N 2 0 333.520 2.657 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001568075806 1416397522 /nfs/dbraw/zinc/39/75/22/1416397522.db2.gz IUETXLHDGYONJS-KRWDZBQOSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001568130025 1416420761 /nfs/dbraw/zinc/42/07/61/1416420761.db2.gz QCXMUUQPOPJWRM-UHFFFAOYSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001568129110 1416420868 /nfs/dbraw/zinc/42/08/68/1416420868.db2.gz UXAHDPJODIBIOW-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568336216 1416481157 /nfs/dbraw/zinc/48/11/57/1416481157.db2.gz OTVDRLTXISTCJQ-APWZRJJASA-N 2 0 341.515 2.896 10 30 EFEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568336217 1416481176 /nfs/dbraw/zinc/48/11/76/1416481176.db2.gz OTVDRLTXISTCJQ-LPHOPBHVSA-N 2 0 341.515 2.896 10 30 EFEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001568339174 1416481657 /nfs/dbraw/zinc/48/16/57/1416481657.db2.gz PCZNCKHLGMHCHC-MOPGFXCFSA-N 2 0 335.536 2.641 10 30 EFEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001568339177 1416481671 /nfs/dbraw/zinc/48/16/71/1416481671.db2.gz PCZNCKHLGMHCHC-RTBURBONSA-N 2 0 335.536 2.641 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001568348846 1416486102 /nfs/dbraw/zinc/48/61/02/1416486102.db2.gz KLVBOKHSUXXLGX-IEBWSBKVSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CCCCC1 ZINC001568349357 1416486485 /nfs/dbraw/zinc/48/64/85/1416486485.db2.gz UXTKGLMCTYFSJR-IBGZPJMESA-N 2 0 333.520 2.540 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568394534 1416511727 /nfs/dbraw/zinc/51/17/27/1416511727.db2.gz ITGAASPLMGIITK-OALUTQOASA-N 2 0 333.520 2.635 10 30 EFEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001568409183 1416519925 /nfs/dbraw/zinc/51/99/25/1416519925.db2.gz JVCCJUJLARYZQR-MJGOQNOKSA-N 2 0 343.515 2.807 10 30 EFEERP Cc1ccc(NC(=[NH2+])NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000104162975 1416775671 /nfs/dbraw/zinc/77/56/71/1416775671.db2.gz KJTZPAJZHZTKFO-UHFFFAOYSA-N 2 0 326.444 2.862 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001690135879 1417163092 /nfs/dbraw/zinc/16/30/92/1417163092.db2.gz WTQIWPMORUMLPZ-AZUAARDMSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001690138976 1417163701 /nfs/dbraw/zinc/16/37/01/1417163701.db2.gz WPKWFFNHMMIIJJ-QUCCMNQESA-N 2 0 347.547 2.833 10 30 EFEERP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001690639591 1417223452 /nfs/dbraw/zinc/22/34/52/1417223452.db2.gz AROBRMQOMMJBBK-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001698706710 1417314204 /nfs/dbraw/zinc/31/42/04/1417314204.db2.gz ARJXUYFRUDQQMK-NXWXRZEISA-N 2 0 333.520 2.700 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698710474 1417316337 /nfs/dbraw/zinc/31/63/37/1417316337.db2.gz XZNPEGHTTLGWAB-MKXGPGLRSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698752111 1417328416 /nfs/dbraw/zinc/32/84/16/1417328416.db2.gz HYSGXVXSQDZRJJ-CABCVRRESA-N 2 0 328.460 2.953 10 30 EFEERP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672804 1417446039 /nfs/dbraw/zinc/44/60/39/1417446039.db2.gz FITVQLMJEFABSQ-VQTJNVASSA-N 2 0 345.531 2.589 10 30 EFEERP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672802 1417446299 /nfs/dbraw/zinc/44/62/99/1417446299.db2.gz FITVQLMJEFABSQ-PMACEKPBSA-N 2 0 345.531 2.589 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001699688677 1417453339 /nfs/dbraw/zinc/45/33/39/1417453339.db2.gz IAQZFYUDMWWXPY-HDICACEKSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001699785196 1417468741 /nfs/dbraw/zinc/46/87/41/1417468741.db2.gz HMFNBIPQDNUFRY-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001699846516 1417475965 /nfs/dbraw/zinc/47/59/65/1417475965.db2.gz JAGZCYCQZANUFS-FQEVSTJZSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001699846519 1417476059 /nfs/dbraw/zinc/47/60/59/1417476059.db2.gz JAGZCYCQZANUFS-HXUWFJFHSA-N 2 0 329.488 2.766 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001700089860 1417561761 /nfs/dbraw/zinc/56/17/61/1417561761.db2.gz CKYLROYQNNUEJI-WOJBJXKFSA-N 2 0 341.499 2.938 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC(CC)CC)C2)CC1 ZINC001700093489 1417564692 /nfs/dbraw/zinc/56/46/92/1417564692.db2.gz JXIBZNCPGAQKJC-LJQANCHMSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700097427 1417567497 /nfs/dbraw/zinc/56/74/97/1417567497.db2.gz HQQCQROHJVRGOS-WDSOQIARSA-N 2 0 333.520 2.559 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001700100679 1417570230 /nfs/dbraw/zinc/57/02/30/1417570230.db2.gz QYRADXDURWKBTC-QAQDUYKDSA-N 2 0 338.455 2.544 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713132718 1418334984 /nfs/dbraw/zinc/33/49/84/1418334984.db2.gz FHMQQBWIXBFURC-IBGZPJMESA-N 2 0 347.547 2.692 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713163398 1418346514 /nfs/dbraw/zinc/34/65/14/1418346514.db2.gz JTFQBNCTLQUDNR-FVQBIDKESA-N 2 0 326.444 2.848 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223711 1418395319 /nfs/dbraw/zinc/39/53/19/1418395319.db2.gz FWZFZEUGTQXNJD-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713242798 1418411147 /nfs/dbraw/zinc/41/11/47/1418411147.db2.gz UFAKFRCZEAIWKL-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269477 1418436046 /nfs/dbraw/zinc/43/60/46/1418436046.db2.gz DRUUQOMTNWQTNE-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278688 1418448498 /nfs/dbraw/zinc/44/84/98/1418448498.db2.gz HDJPCKKXFQUUFZ-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713360610 1418490592 /nfs/dbraw/zinc/49/05/92/1418490592.db2.gz MCKOTOWPXLKMIY-PKOBYXMFSA-N 2 0 329.488 2.694 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001713396248 1418505945 /nfs/dbraw/zinc/50/59/45/1418505945.db2.gz AOCOFWALBNOKNK-HXUWFJFHSA-N 2 0 343.515 2.903 10 30 EFEERP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713397022 1418506359 /nfs/dbraw/zinc/50/63/59/1418506359.db2.gz IOONJEFGQJZVPO-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001713435833 1418528888 /nfs/dbraw/zinc/52/88/88/1418528888.db2.gz YWCISFKRIZRAIM-INIZCTEOSA-N 2 0 339.911 2.728 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001714313258 1418598454 /nfs/dbraw/zinc/59/84/54/1418598454.db2.gz GAWMEGFATQVXLX-IYARVYRRSA-N 2 0 333.520 2.846 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001714321749 1418600834 /nfs/dbraw/zinc/60/08/34/1418600834.db2.gz ATPQAHVXLRBPLM-RTBURBONSA-N 2 0 327.472 2.595 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(CC)CC)[C@@H](C)C2)CC1 ZINC001715096000 1418651302 /nfs/dbraw/zinc/65/13/02/1418651302.db2.gz ZBIGNJPSXNCRTG-FXAWDEMLSA-N 2 0 347.547 2.594 10 30 EFEERP CCCCCCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001715315992 1418663537 /nfs/dbraw/zinc/66/35/37/1418663537.db2.gz GIICHOIHOXEKSZ-UHFFFAOYSA-N 2 0 335.536 2.977 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001715417578 1418674386 /nfs/dbraw/zinc/67/43/86/1418674386.db2.gz NCDHJCZGCQOGSJ-YLJYHZDGSA-N 2 0 343.515 2.807 10 30 EFEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001716637388 1418932860 /nfs/dbraw/zinc/93/28/60/1418932860.db2.gz XIRPMSYNNHKPJS-NVXWUHKLSA-N 2 0 347.528 2.663 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001716706517 1418965773 /nfs/dbraw/zinc/96/57/73/1418965773.db2.gz QSJLEAKWFZGOQD-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCCC1 ZINC001716713168 1418969405 /nfs/dbraw/zinc/96/94/05/1418969405.db2.gz CILOQSNWFFBAHV-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716749496 1418990444 /nfs/dbraw/zinc/99/04/44/1418990444.db2.gz GLFRZGVQOPKESO-MRXNPFEDSA-N 2 0 329.488 2.859 10 30 EFEERP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001716795142 1419013139 /nfs/dbraw/zinc/01/31/39/1419013139.db2.gz GTVGFNOFDVNPDS-MRXNPFEDSA-N 2 0 327.488 2.603 10 30 EFEERP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716811042 1419024125 /nfs/dbraw/zinc/02/41/25/1419024125.db2.gz LPARMYIOZWPQSB-GOSISDBHSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001716811749 1419025402 /nfs/dbraw/zinc/02/54/02/1419025402.db2.gz LFSUNCHFYUGBRD-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001716886941 1419075858 /nfs/dbraw/zinc/07/58/58/1419075858.db2.gz UNFACSXGVJJSQF-UHFFFAOYSA-N 2 0 326.444 2.661 10 30 EFEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716896526 1419084032 /nfs/dbraw/zinc/08/40/32/1419084032.db2.gz UMMVNSVIIJARPU-ICSRJNTNSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001716900432 1419085649 /nfs/dbraw/zinc/08/56/49/1419085649.db2.gz OXZYBTCCXAPHIS-HXUWFJFHSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903145 1419088537 /nfs/dbraw/zinc/08/85/37/1419088537.db2.gz XXWRYAZLFPCFKD-RXVVDRJESA-N 2 0 347.547 2.596 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001716987449 1419126271 /nfs/dbraw/zinc/12/62/71/1419126271.db2.gz KBGSPLJNYOSJEO-ZWKOTPCHSA-N 2 0 335.536 2.759 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001716991819 1419128880 /nfs/dbraw/zinc/12/88/80/1419128880.db2.gz HODKXSUANWAVEL-APWZRJJASA-N 2 0 329.488 2.622 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717106274 1419211818 /nfs/dbraw/zinc/21/18/18/1419211818.db2.gz MFRWGQXHJMDWRT-AZUAARDMSA-N 2 0 341.499 2.531 10 30 EFEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001717115186 1419219242 /nfs/dbraw/zinc/21/92/42/1419219242.db2.gz KHLZVWPNHHUJSX-BXWFABGCSA-N 2 0 329.488 2.870 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001717115414 1419219347 /nfs/dbraw/zinc/21/93/47/1419219347.db2.gz LQORTMOQFVGYRE-KRWDZBQOSA-N 2 0 341.499 2.851 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115868 1419220214 /nfs/dbraw/zinc/22/02/14/1419220214.db2.gz PIVJJIZTQMWBRA-YLJYHZDGSA-N 2 0 341.499 2.709 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717121457 1419223995 /nfs/dbraw/zinc/22/39/95/1419223995.db2.gz CTSAULUKVXAYCK-IYARVYRRSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001717122338 1419224097 /nfs/dbraw/zinc/22/40/97/1419224097.db2.gz AGILBNXEXWZCJX-RDGPPVDQSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001717216480 1419270207 /nfs/dbraw/zinc/27/02/07/1419270207.db2.gz JIRMXMSYIUMMSU-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001717216133 1419270250 /nfs/dbraw/zinc/27/02/50/1419270250.db2.gz DSMGVJRZSYRCQN-VQTJNVASSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001717217730 1419271191 /nfs/dbraw/zinc/27/11/91/1419271191.db2.gz UQXXBYLPKNMEQB-PMACEKPBSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001717242114 1419283567 /nfs/dbraw/zinc/28/35/67/1419283567.db2.gz MPMIZQPGACBEJD-UHFFFAOYSA-N 2 0 345.487 2.729 10 30 EFEERP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001717247915 1419290983 /nfs/dbraw/zinc/29/09/83/1419290983.db2.gz RBRQSNVJQMBIIH-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001717309182 1419320795 /nfs/dbraw/zinc/32/07/95/1419320795.db2.gz GZPFIDOZJFGHMK-ROUUACIJSA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001717311560 1419323479 /nfs/dbraw/zinc/32/34/79/1419323479.db2.gz CUWGJLHUWHWRGJ-OALUTQOASA-N 2 0 341.499 2.529 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717371744 1419364357 /nfs/dbraw/zinc/36/43/57/1419364357.db2.gz VQINVLNLZCQLNE-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001717373426 1419365502 /nfs/dbraw/zinc/36/55/02/1419365502.db2.gz MIRGDRBXDDMBPR-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001717537524 1419434299 /nfs/dbraw/zinc/43/42/99/1419434299.db2.gz GLOXTIYQTFTJML-SJORKVTESA-N 2 0 327.488 2.603 10 30 EFEERP C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC001717588112 1419458973 /nfs/dbraw/zinc/45/89/73/1419458973.db2.gz TXEIPNIDOCSZSM-IBGZPJMESA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001717628606 1419476934 /nfs/dbraw/zinc/47/69/34/1419476934.db2.gz BQKYONXHLHQNAI-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717640902 1419483931 /nfs/dbraw/zinc/48/39/31/1419483931.db2.gz OILWUWXZUPGCFT-KZNAEPCWSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCCCC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001717703382 1419516660 /nfs/dbraw/zinc/51/66/60/1419516660.db2.gz HJTXVPHLEZHFAL-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001717706795 1419519292 /nfs/dbraw/zinc/51/92/92/1419519292.db2.gz UPEMNMITXBSKCI-UHFFFAOYSA-N 2 0 341.499 2.809 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001717756396 1419536943 /nfs/dbraw/zinc/53/69/43/1419536943.db2.gz DNAZNWYAPNREBQ-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840629 1419570192 /nfs/dbraw/zinc/57/01/92/1419570192.db2.gz LYCGNIJHYLYFLK-JPLJXNOCSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878513 1419599107 /nfs/dbraw/zinc/59/91/07/1419599107.db2.gz XGYROYSYOPVSMO-ROUUACIJSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001717882271 1419600437 /nfs/dbraw/zinc/60/04/37/1419600437.db2.gz BBSPBNVMCKUVHR-HKUYNNGSSA-N 2 0 333.520 2.559 10 30 EFEERP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001717948089 1419624251 /nfs/dbraw/zinc/62/42/51/1419624251.db2.gz FHOZWCQKJNWYEZ-SFHVURJKSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001717962292 1419631098 /nfs/dbraw/zinc/63/10/98/1419631098.db2.gz BRLJRLZJAAKZHA-KRWDZBQOSA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001717964548 1419631787 /nfs/dbraw/zinc/63/17/87/1419631787.db2.gz YIJYHLBODQLITJ-KRWDZBQOSA-N 2 0 335.536 2.642 10 30 EFEERP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717984817 1419642769 /nfs/dbraw/zinc/64/27/69/1419642769.db2.gz NZJPKHWHDPRGTO-FXAWDEMLSA-N 2 0 341.499 2.529 10 30 EFEERP C=CC[NH+]1CCC(C2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001718003531 1419651278 /nfs/dbraw/zinc/65/12/78/1419651278.db2.gz LDLXDLLSYXZAJD-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001718022752 1419662038 /nfs/dbraw/zinc/66/20/38/1419662038.db2.gz HGXRELGOLIEMBF-KRWDZBQOSA-N 2 0 331.504 2.718 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)c(F)c1 ZINC001718037088 1419674622 /nfs/dbraw/zinc/67/46/22/1419674622.db2.gz LWHQGFSHYDVTBI-UHFFFAOYSA-N 2 0 347.478 2.982 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958051 1424387415 /nfs/dbraw/zinc/38/74/15/1424387415.db2.gz UQYYGBRUFOMNSR-PMACEKPBSA-N 2 0 345.531 2.562 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001722957998 1424387506 /nfs/dbraw/zinc/38/75/06/1424387506.db2.gz TVHPGRSROWOISF-MOPGFXCFSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001723450972 1424500157 /nfs/dbraw/zinc/50/01/57/1424500157.db2.gz MDEDEPCOUYFNJM-RTBURBONSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001723551295 1424521424 /nfs/dbraw/zinc/52/14/24/1424521424.db2.gz BYMLPUXRDIGRKJ-SFHVURJKSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001723631686 1424540122 /nfs/dbraw/zinc/54/01/22/1424540122.db2.gz BUDRCMIXOHRBMQ-OTWHNJEPSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001723719693 1424568013 /nfs/dbraw/zinc/56/80/13/1424568013.db2.gz SUBZXISPICFBFF-ICSRJNTNSA-N 2 0 333.520 2.750 10 30 EFEERP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001724047202 1424634872 /nfs/dbraw/zinc/63/48/72/1424634872.db2.gz LFJPNYIKHRNUNT-LJQANCHMSA-N 2 0 345.531 2.753 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001724126393 1424668195 /nfs/dbraw/zinc/66/81/95/1424668195.db2.gz SGSPQEDITNWABU-OAQYLSRUSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189385 1424694485 /nfs/dbraw/zinc/69/44/85/1424694485.db2.gz KGLJYZNEORTCEO-NRFANRHFSA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001724271568 1424718275 /nfs/dbraw/zinc/71/82/75/1424718275.db2.gz DFODYURVWRLXNT-GHTZIAJQSA-N 2 0 345.531 2.515 10 30 EFEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001724322389 1424733136 /nfs/dbraw/zinc/73/31/36/1424733136.db2.gz CJKGPNNLDYTQQC-LJQANCHMSA-N 2 0 347.528 2.665 10 30 EFEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001724328497 1424735098 /nfs/dbraw/zinc/73/50/98/1424735098.db2.gz ICVFBXKIEBOZFB-NRFANRHFSA-N 2 0 347.547 2.883 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325624 1424736091 /nfs/dbraw/zinc/73/60/91/1424736091.db2.gz ZTXMSBNUPAAQKD-TZIWHRDSSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001724332265 1424738375 /nfs/dbraw/zinc/73/83/75/1424738375.db2.gz ZWLZIIIHPFMKFI-ICSRJNTNSA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343644 1424742767 /nfs/dbraw/zinc/74/27/67/1424742767.db2.gz OCHMTSODNQXONU-NRFANRHFSA-N 2 0 341.499 2.603 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511103 1424776346 /nfs/dbraw/zinc/77/63/46/1424776346.db2.gz FWDXKBXQXQMZJP-HKUYNNGSSA-N 2 0 329.488 2.524 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001724597985 1424814644 /nfs/dbraw/zinc/81/46/44/1424814644.db2.gz FNAVXFMJCTWRJU-ZSXDVEMLSA-N 2 0 333.520 2.652 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001724610688 1424830045 /nfs/dbraw/zinc/83/00/45/1424830045.db2.gz KGNZGOLKPSACNA-VAMGGRTRSA-N 2 0 347.547 2.642 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724613402 1424833670 /nfs/dbraw/zinc/83/36/70/1424833670.db2.gz VKZPYHIHVODDPT-MKXGPGLRSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001724617683 1424842050 /nfs/dbraw/zinc/84/20/50/1424842050.db2.gz PIAIJGIMPWGCRR-ICSRJNTNSA-N 2 0 343.515 2.911 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656056 1424892188 /nfs/dbraw/zinc/89/21/88/1424892188.db2.gz QPUWPKAWOBBNKX-OALUTQOASA-N 2 0 345.531 2.894 10 30 EFEERP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659500 1424900662 /nfs/dbraw/zinc/90/06/62/1424900662.db2.gz VNSORSZHMJGIGK-UXHICEINSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001724742798 1424970406 /nfs/dbraw/zinc/97/04/06/1424970406.db2.gz TUIQFVSOLJLGDX-FQEVSTJZSA-N 2 0 341.499 2.632 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749568 1424978700 /nfs/dbraw/zinc/97/87/00/1424978700.db2.gz NONWXFFOKOQEEG-PXNSSMCTSA-N 2 0 341.499 2.850 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724754378 1424984474 /nfs/dbraw/zinc/98/44/74/1424984474.db2.gz JRWIEYUCNPCDBD-CADBVGFASA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001724756203 1424986227 /nfs/dbraw/zinc/98/62/27/1424986227.db2.gz AEEKFJBHFWLAJH-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001724854726 1425071853 /nfs/dbraw/zinc/07/18/53/1425071853.db2.gz CYACLKCHFBESLJ-IBGZPJMESA-N 2 0 341.515 2.945 10 30 EFEERP C=C(C)CN1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001724892098 1425105945 /nfs/dbraw/zinc/10/59/45/1425105945.db2.gz CNBAHVIILYUCGN-FQEVSTJZSA-N 2 0 341.499 2.590 10 30 EFEERP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001724898098 1425116768 /nfs/dbraw/zinc/11/67/68/1425116768.db2.gz LSTMRLNXFBZFFR-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001724902451 1425122702 /nfs/dbraw/zinc/12/27/02/1425122702.db2.gz WDQFCCOZMYEHEC-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001724952330 1425160173 /nfs/dbraw/zinc/16/01/73/1425160173.db2.gz YHVDIASGRQBTFF-QFBILLFUSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001725043930 1425257623 /nfs/dbraw/zinc/25/76/23/1425257623.db2.gz WMLVHMZRDQLMIA-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055707 1425266117 /nfs/dbraw/zinc/26/61/17/1425266117.db2.gz BZXYXMIWBIBZNY-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001725056010 1425266760 /nfs/dbraw/zinc/26/67/60/1425266760.db2.gz PWDWXDPNCZCPDS-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001725230609 1425395193 /nfs/dbraw/zinc/39/51/93/1425395193.db2.gz WRXNPOBLMFPDKC-UHFFFAOYSA-N 2 0 333.520 2.539 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725241649 1425408176 /nfs/dbraw/zinc/40/81/76/1425408176.db2.gz MSCLWMVFBJKXAC-OALUTQOASA-N 2 0 333.520 2.635 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001725339426 1425487302 /nfs/dbraw/zinc/48/73/02/1425487302.db2.gz WCPYFGVGJAEJBX-RCCFBDPRSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001725346997 1425496161 /nfs/dbraw/zinc/49/61/61/1425496161.db2.gz LNDCFCHQZTXXDR-RLLQIKCJSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001725424294 1425569641 /nfs/dbraw/zinc/56/96/41/1425569641.db2.gz KKMHIRZPHPXILA-IBGZPJMESA-N 2 0 339.499 2.698 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001725445574 1425587003 /nfs/dbraw/zinc/58/70/03/1425587003.db2.gz UJSKUXAJTFHPGQ-APWZRJJASA-N 2 0 341.515 2.896 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001725585027 1425670216 /nfs/dbraw/zinc/67/02/16/1425670216.db2.gz NPAVYIVCSRXWMH-LPHOPBHVSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)[C@H]2C)CC1 ZINC001725608326 1425698999 /nfs/dbraw/zinc/69/89/99/1425698999.db2.gz RIRUWNRROYIYCP-IEBWSBKVSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001725670741 1425768403 /nfs/dbraw/zinc/76/84/03/1425768403.db2.gz ZCQSPPRHGFNZCI-HKUYNNGSSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C(F)(F)F ZINC001725779823 1425845458 /nfs/dbraw/zinc/84/54/58/1425845458.db2.gz GNIITXREFNZRCK-ZIAGYGMSSA-N 2 0 349.441 2.519 10 30 EFEERP C=CCCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001725785569 1425851632 /nfs/dbraw/zinc/85/16/32/1425851632.db2.gz IFLUDQPYAQMWED-UHFFFAOYSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001725798778 1425859344 /nfs/dbraw/zinc/85/93/44/1425859344.db2.gz YGZIUHOEZJYESW-KRWDZBQOSA-N 2 0 345.531 2.798 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001725832884 1425900544 /nfs/dbraw/zinc/90/05/44/1425900544.db2.gz HISDIASVKNXELU-WMZOPIPTSA-N 2 0 347.478 2.838 10 30 EFEERP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CCN1c1cc[nH+]cc1 ZINC000895558784 724195070 /nfs/dbraw/zinc/19/50/70/724195070.db2.gz WHBIZGAUYOHAJL-MRXNPFEDSA-N 2 0 335.455 2.730 10 30 EFEERP CSc1ccc(CNC2CC[NH+](CC(C)(C)O)CC2)cc1C#N ZINC000895776347 724309734 /nfs/dbraw/zinc/30/97/34/724309734.db2.gz CPTKRGNOVYQASN-UHFFFAOYSA-N 2 0 333.501 2.605 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000907530157 726959295 /nfs/dbraw/zinc/95/92/95/726959295.db2.gz HARFNIGOFGFVRC-FQEVSTJZSA-N 2 0 329.488 2.665 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000908041205 727084882 /nfs/dbraw/zinc/08/48/82/727084882.db2.gz GYWTVSAIQCWKBC-LJQANCHMSA-N 2 0 343.515 2.911 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000911574898 727564037 /nfs/dbraw/zinc/56/40/37/727564037.db2.gz RNSUUSONSIUMGT-UXHICEINSA-N 2 0 341.499 2.762 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913098131 727781083 /nfs/dbraw/zinc/78/10/83/727781083.db2.gz YTCUYVZETUKQPF-QFBILLFUSA-N 2 0 329.488 2.521 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC000940807943 728254929 /nfs/dbraw/zinc/25/49/29/728254929.db2.gz XAVSGGZOQBZGTA-ROUUACIJSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940831271 728273259 /nfs/dbraw/zinc/27/32/59/728273259.db2.gz IWGGSTYLFITACW-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940858352 728296707 /nfs/dbraw/zinc/29/67/07/728296707.db2.gz LZVUZKVAMUPESH-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000939835303 729148765 /nfs/dbraw/zinc/14/87/65/729148765.db2.gz DNAIFCIVOQFWNQ-WBVHZDCISA-N 2 0 333.476 2.748 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 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ZINC001570220919 1086062006 /nfs/dbraw/zinc/06/20/06/1086062006.db2.gz YETZARFGXYBJTH-OALUTQOASA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001570273941 1086113313 /nfs/dbraw/zinc/11/33/13/1086113313.db2.gz ZGCWWORAFJKYPQ-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001570274592 1086116690 /nfs/dbraw/zinc/11/66/90/1086116690.db2.gz HBPUSJSPNYJEON-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001570313647 1086141160 /nfs/dbraw/zinc/14/11/60/1086141160.db2.gz GVLJYCNQYVWCIF-UHFFFAOYSA-N 2 0 341.499 2.926 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001570501138 1086287148 /nfs/dbraw/zinc/28/71/48/1086287148.db2.gz CPVQFJPBKUUEEM-WOJBJXKFSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001570501319 1086287820 /nfs/dbraw/zinc/28/78/20/1086287820.db2.gz JYCDRDPRYQLVBJ-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001570522197 1086308708 /nfs/dbraw/zinc/30/87/08/1086308708.db2.gz SISRCWRYIAVNDK-UYAOXDASSA-N 2 0 329.488 2.666 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC/C=C\CC)CC1 ZINC001570549082 1086349586 /nfs/dbraw/zinc/34/95/86/1086349586.db2.gz UFMGAEQTQSIMCF-PXDRNWIDSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570551781 1086359438 /nfs/dbraw/zinc/35/94/38/1086359438.db2.gz UJSLQZHHKCHIGH-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001570653292 1086437011 /nfs/dbraw/zinc/43/70/11/1086437011.db2.gz PKACBCCWOQPPPO-QZTJIDSGSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[NH2+]C1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001570661030 1086444786 /nfs/dbraw/zinc/44/47/86/1086444786.db2.gz HXNSXJFJUAPPHW-UHFFFAOYSA-N 2 0 347.528 2.806 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001570800228 1086526678 /nfs/dbraw/zinc/52/66/78/1086526678.db2.gz XNSIRUCKUDVZLD-SFHVURJKSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001570804793 1086530027 /nfs/dbraw/zinc/53/00/27/1086530027.db2.gz XELQYFJKRHYIKL-ROUUACIJSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001570845499 1086564189 /nfs/dbraw/zinc/56/41/89/1086564189.db2.gz KKQKUTWLJRWCRV-IRXDYDNUSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001571035581 1086650171 /nfs/dbraw/zinc/65/01/71/1086650171.db2.gz IXDFBTNBUDYXLX-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001571063694 1086657419 /nfs/dbraw/zinc/65/74/19/1086657419.db2.gz DJMGSTKJAFLIMF-YSIASYRMSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571067999 1086659098 /nfs/dbraw/zinc/65/90/98/1086659098.db2.gz CMNJCXZQFFAYMV-LFGUQSLTSA-N 2 0 335.536 2.852 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001571353177 1086749389 /nfs/dbraw/zinc/74/93/89/1086749389.db2.gz PDJGVUQAAXHIES-RTBURBONSA-N 2 0 335.536 2.641 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001571508806 1086914686 /nfs/dbraw/zinc/91/46/86/1086914686.db2.gz JSJNHWUXRJREMO-GUDVDZBRSA-N 2 0 345.531 2.798 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001571563948 1086964481 /nfs/dbraw/zinc/96/44/81/1086964481.db2.gz UBYZKXKNNJDPNR-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH+]1CCC(C2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001571669498 1087034439 /nfs/dbraw/zinc/03/44/39/1087034439.db2.gz DBHHJUMSLHWIPH-SFHVURJKSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c(F)c1 ZINC001571702982 1087076551 /nfs/dbraw/zinc/07/65/51/1087076551.db2.gz PLFAWVIXJHRXGP-PKOBYXMFSA-N 2 0 345.462 2.734 10 30 EFEERP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267089754 1092638767 /nfs/dbraw/zinc/63/87/67/1092638767.db2.gz STEIVMLOTOMYFZ-VQTJNVASSA-N 2 0 343.515 2.997 10 30 EFEERP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001267096164 1092683277 /nfs/dbraw/zinc/68/32/77/1092683277.db2.gz IONBFQCHWURIFM-HXUWFJFHSA-N 2 0 343.515 2.885 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001267098258 1092695076 /nfs/dbraw/zinc/69/50/76/1092695076.db2.gz JWKWHZXTMKQTIL-WOJBJXKFSA-N 2 0 341.499 2.638 10 30 EFEERP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001267168146 1093031382 /nfs/dbraw/zinc/03/13/82/1093031382.db2.gz NEBRDXRVXNSDAL-GOSISDBHSA-N 2 0 344.503 2.699 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267200497 1093171539 /nfs/dbraw/zinc/17/15/39/1093171539.db2.gz CROSODZVBBLPNX-DLBZAZTESA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267200707 1093172784 /nfs/dbraw/zinc/17/27/84/1093172784.db2.gz FMVNZQGOCSHMLT-DLBZAZTESA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001267207551 1093195900 /nfs/dbraw/zinc/19/59/00/1093195900.db2.gz GDEREQXQQZRFNP-QGZVFWFLSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267217186 1093227797 /nfs/dbraw/zinc/22/77/97/1093227797.db2.gz AEUSAZHPWXDGKJ-CRAIPNDOSA-N 2 0 327.488 2.602 10 30 EFEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222096 1093252520 /nfs/dbraw/zinc/25/25/20/1093252520.db2.gz GKLQRAQEIXIZNC-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250162 1093367094 /nfs/dbraw/zinc/36/70/94/1093367094.db2.gz HKOYKOZWJMQWND-VQIMIIECSA-N 2 0 341.515 2.992 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001267346656 1093633935 /nfs/dbraw/zinc/63/39/35/1093633935.db2.gz VCPLDZUGJXVLFC-WOJBJXKFSA-N 2 0 343.515 2.776 10 30 EFEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001267604128 1094413577 /nfs/dbraw/zinc/41/35/77/1094413577.db2.gz KAIPVUIFEWVVIA-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267604178 1094418552 /nfs/dbraw/zinc/41/85/52/1094418552.db2.gz OFCWCQPSTYUMLQ-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001267382634 1094427961 /nfs/dbraw/zinc/42/79/61/1094427961.db2.gz RVNZSZAEGXREFB-LEWJYISDSA-N 2 0 349.478 2.760 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267604621 1094450065 /nfs/dbraw/zinc/45/00/65/1094450065.db2.gz YINIGUBSCCADKD-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267460125 1094575809 /nfs/dbraw/zinc/57/58/09/1094575809.db2.gz RYPGUEOWJITXJI-RBUKOAKNSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267460124 1094576189 /nfs/dbraw/zinc/57/61/89/1094576189.db2.gz RYPGUEOWJITXJI-OALUTQOASA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001268044364 1094775404 /nfs/dbraw/zinc/77/54/04/1094775404.db2.gz DHFCOBRQSIZTJH-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001268045910 1094833420 /nfs/dbraw/zinc/83/34/20/1094833420.db2.gz MVZZLQDZZMQIEP-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267487142 1094909700 /nfs/dbraw/zinc/90/97/00/1094909700.db2.gz ATEHUXXPGXKILY-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001481492815 1094921298 /nfs/dbraw/zinc/92/12/98/1094921298.db2.gz NRWRGWSARQIETK-GOSISDBHSA-N 2 0 343.515 2.761 10 30 EFEERP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481494205 1094930604 /nfs/dbraw/zinc/93/06/04/1094930604.db2.gz OAEQKAJZLPSWIO-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481498200 1094946319 /nfs/dbraw/zinc/94/63/19/1094946319.db2.gz OPTYQYMCVYPXMY-IBGZPJMESA-N 2 0 343.515 2.761 10 30 EFEERP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001268048081 1094948188 /nfs/dbraw/zinc/94/81/88/1094948188.db2.gz MRMAEMVKIOPWNK-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001267495997 1094982763 /nfs/dbraw/zinc/98/27/63/1094982763.db2.gz JVYWVYYOKOYIGO-ICSRJNTNSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3cnc(C)n3C2)CC1 ZINC001481517560 1095067288 /nfs/dbraw/zinc/06/72/88/1095067288.db2.gz NMVKTHVHCDGBCM-GOSISDBHSA-N 2 0 344.503 2.500 10 30 EFEERP C=CCCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267522487 1095243659 /nfs/dbraw/zinc/24/36/59/1095243659.db2.gz HJOVTWGRMFDUHC-LJQANCHMSA-N 2 0 329.488 2.742 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001267653211 1095334514 /nfs/dbraw/zinc/33/45/14/1095334514.db2.gz NFLYYXWRCOIXLI-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001267653213 1095335448 /nfs/dbraw/zinc/33/54/48/1095335448.db2.gz NFLYYXWRCOIXLI-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267657927 1095352132 /nfs/dbraw/zinc/35/21/32/1095352132.db2.gz IEHRABALZZALQA-IEBWSBKVSA-N 2 0 333.520 2.750 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCCC1 ZINC001268122677 1095415300 /nfs/dbraw/zinc/41/53/00/1095415300.db2.gz CQSBMAKXHLGCIW-LJQANCHMSA-N 2 0 333.520 2.540 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001268123912 1095418639 /nfs/dbraw/zinc/41/86/39/1095418639.db2.gz RDMCMQJNCXQBRO-HXUWFJFHSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001268123295 1095420273 /nfs/dbraw/zinc/42/02/73/1095420273.db2.gz MLOYOUXGVXMEQB-VQTJNVASSA-N 2 0 347.547 2.927 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001267682490 1095439580 /nfs/dbraw/zinc/43/95/80/1095439580.db2.gz AGVNSNVSKUCDLE-AWEZNQCLSA-N 2 0 335.517 2.826 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267682087 1095441299 /nfs/dbraw/zinc/44/12/99/1095441299.db2.gz HIPNVXNKXAUFSC-LPHOPBHVSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267546953 1095449845 /nfs/dbraw/zinc/44/98/45/1095449845.db2.gz GDAUUKKQTMOJOO-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267690680 1095463895 /nfs/dbraw/zinc/46/38/95/1095463895.db2.gz QCIYGRVSZMPQJL-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001268138142 1095476350 /nfs/dbraw/zinc/47/63/50/1095476350.db2.gz PSDDFJIDVKREQQ-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267557853 1095518997 /nfs/dbraw/zinc/51/89/97/1095518997.db2.gz NVGQKWGOBMBCKZ-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268198492 1096078107 /nfs/dbraw/zinc/07/81/07/1096078107.db2.gz RSTYARCWCXHHCH-VQIMIIECSA-N 2 0 329.488 2.765 10 30 EFEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268198489 1096079599 /nfs/dbraw/zinc/07/95/99/1096079599.db2.gz RSTYARCWCXHHCH-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001268201111 1096092356 /nfs/dbraw/zinc/09/23/56/1096092356.db2.gz GTEQQDDDRITINI-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001268206431 1096097937 /nfs/dbraw/zinc/09/79/37/1096097937.db2.gz SQGXWSZJIFDONP-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001268208055 1096103083 /nfs/dbraw/zinc/10/30/83/1096103083.db2.gz ZMSVOAATTMFSDL-FQEVSTJZSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001267596299 1096119101 /nfs/dbraw/zinc/11/91/01/1096119101.db2.gz LZXUYQJMVDSEMV-MJGOQNOKSA-N 2 0 329.488 2.646 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001268265617 1096211105 /nfs/dbraw/zinc/21/11/05/1096211105.db2.gz JFSBXIZXFPKQOV-PMACEKPBSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481703893 1096339853 /nfs/dbraw/zinc/33/98/53/1096339853.db2.gz OHTZAMASTCPXSN-GOEBONIOSA-N 2 0 326.444 2.802 10 30 EFEERP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001268393603 1096480844 /nfs/dbraw/zinc/48/08/44/1096480844.db2.gz KNBLTLZKAIJJOG-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740386 1096481352 /nfs/dbraw/zinc/48/13/52/1096481352.db2.gz BGQMYNJBUMMGKL-QFBILLFUSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481741356 1096485285 /nfs/dbraw/zinc/48/52/85/1096485285.db2.gz KSMPCRAZZKUKIB-HXUWFJFHSA-N 2 0 343.515 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001481781805 1096693697 /nfs/dbraw/zinc/69/36/97/1096693697.db2.gz ICGFSCOYKYNILE-DUIUGDAFSA-N 2 0 345.531 2.611 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976335 1097034206 /nfs/dbraw/zinc/03/42/06/1097034206.db2.gz HNSLMXNTWLJORW-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481991238 1097057069 /nfs/dbraw/zinc/05/70/69/1097057069.db2.gz LRNMIKKAZPVPOJ-PMACEKPBSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481990998 1097057090 /nfs/dbraw/zinc/05/70/90/1097057090.db2.gz IAUSBVOFHIGZTQ-GOSISDBHSA-N 2 0 341.499 2.603 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001482033225 1097129482 /nfs/dbraw/zinc/12/94/82/1097129482.db2.gz FXNWFSQAICQUHK-VQTJNVASSA-N 2 0 341.499 2.985 10 30 EFEERP C=CCCCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001482072032 1097226675 /nfs/dbraw/zinc/22/66/75/1097226675.db2.gz RHOVHWGHWJLOAN-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268772236 1097619743 /nfs/dbraw/zinc/61/97/43/1097619743.db2.gz XCDYTZYDANREDB-UXHICEINSA-N 2 0 341.499 2.650 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268777299 1097627280 /nfs/dbraw/zinc/62/72/80/1097627280.db2.gz XNLKZIHAKBQSKT-WOJBJXKFSA-N 2 0 341.499 2.650 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001269083700 1097839601 /nfs/dbraw/zinc/83/96/01/1097839601.db2.gz KCMKSAIPTXJOMM-OALUTQOASA-N 2 0 329.488 2.836 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001269170342 1097915962 /nfs/dbraw/zinc/91/59/62/1097915962.db2.gz YXAMPJIGSNDTKP-IEBWSBKVSA-N 2 0 347.547 2.879 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1CC ZINC001269170344 1097916064 /nfs/dbraw/zinc/91/60/64/1097916064.db2.gz YXAMPJIGSNDTKP-PKOBYXMFSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001269570030 1098257852 /nfs/dbraw/zinc/25/78/52/1098257852.db2.gz AEDXSTRRNBICIH-YQQQUEKLSA-N 2 0 333.520 2.796 10 30 EFEERP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001482238610 1098378363 /nfs/dbraw/zinc/37/83/63/1098378363.db2.gz UUIOELJYDKFWBD-SFHVURJKSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001269732321 1098401793 /nfs/dbraw/zinc/40/17/93/1098401793.db2.gz QZFHHVSJWASFLR-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269729177 1098404527 /nfs/dbraw/zinc/40/45/27/1098404527.db2.gz BGKFWVWDYCDYEG-PKOBYXMFSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001269740567 1098413715 /nfs/dbraw/zinc/41/37/15/1098413715.db2.gz GOIWZITUVILJMD-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001269770758 1098436942 /nfs/dbraw/zinc/43/69/42/1098436942.db2.gz RTHINULINYWLEF-LJQANCHMSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001482242277 1098439925 /nfs/dbraw/zinc/43/99/25/1098439925.db2.gz CIMSWOOISZBCLE-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001269877238 1098495427 /nfs/dbraw/zinc/49/54/27/1098495427.db2.gz GEYBUWOCEBTUGJ-RBUKOAKNSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280162047 1098693759 /nfs/dbraw/zinc/69/37/59/1098693759.db2.gz CJASGTQQQYTFKT-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280162045 1098693830 /nfs/dbraw/zinc/69/38/30/1098693830.db2.gz CJASGTQQQYTFKT-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001270118325 1098714420 /nfs/dbraw/zinc/71/44/20/1098714420.db2.gz MIRLJUQSJAPHDW-FQEVSTJZSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001267934495 1098732148 /nfs/dbraw/zinc/73/21/48/1098732148.db2.gz YWDNDLRGVXFTQG-QFBILLFUSA-N 2 0 329.488 2.841 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001270157679 1098748844 /nfs/dbraw/zinc/74/88/44/1098748844.db2.gz GNUYQXRUTPFYKT-UHFFFAOYSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267947559 1098796707 /nfs/dbraw/zinc/79/67/07/1098796707.db2.gz WNIOZMJCOGWSMB-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001267758902 1098862768 /nfs/dbraw/zinc/86/27/68/1098862768.db2.gz SDFXNRRBPRVPPR-UHFFFAOYSA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270254151 1098868342 /nfs/dbraw/zinc/86/83/42/1098868342.db2.gz CZLSUBWZVYHMIN-MOPGFXCFSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC/C=C/CC)CC2)CC1 ZINC001270266547 1098887721 /nfs/dbraw/zinc/88/77/21/1098887721.db2.gz JRINXTOEBDMGCO-VOTSOKGWSA-N 2 0 345.531 2.659 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001270321686 1098955703 /nfs/dbraw/zinc/95/57/03/1098955703.db2.gz ZENFGSLDNQVKAO-QUCCMNQESA-N 2 0 343.515 2.506 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001267969177 1098985533 /nfs/dbraw/zinc/98/55/33/1098985533.db2.gz HGKPYKTUSAKLRW-LJQANCHMSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCCC=C)CC1 ZINC001270351376 1098995138 /nfs/dbraw/zinc/99/51/38/1098995138.db2.gz MYWWTFJGVKZHDL-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001270363461 1099009728 /nfs/dbraw/zinc/00/97/28/1099009728.db2.gz FDXMJAQMQQQKJO-VOTSOKGWSA-N 2 0 345.531 2.755 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001270411829 1099068465 /nfs/dbraw/zinc/06/84/65/1099068465.db2.gz CQKNBJXPVNNHBH-OALUTQOASA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001270443374 1099094785 /nfs/dbraw/zinc/09/47/85/1099094785.db2.gz SKROWSHJFZDMQK-MOPGFXCFSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](C)CC)C2CCCC2)CC1 ZINC001270459020 1099111907 /nfs/dbraw/zinc/11/19/07/1099111907.db2.gz YJGFEUVJCAJPDL-PXNSSMCTSA-N 2 0 347.547 2.642 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCCCCC1 ZINC001267806054 1099332941 /nfs/dbraw/zinc/33/29/41/1099332941.db2.gz JYPTXVOOJRTTIM-OALUTQOASA-N 2 0 333.520 2.539 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001481342550 1099379879 /nfs/dbraw/zinc/37/98/79/1099379879.db2.gz GZDRANQDMQYIEU-AZUAARDMSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001481370462 1099501789 /nfs/dbraw/zinc/50/17/89/1099501789.db2.gz FRBYSQWPEQSJRX-HKUYNNGSSA-N 2 0 329.488 2.742 10 30 EFEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001270778104 1099552839 /nfs/dbraw/zinc/55/28/39/1099552839.db2.gz FCIQCUDSDBUDFY-TZIWHRDSSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001623192059 1099566537 /nfs/dbraw/zinc/56/65/37/1099566537.db2.gz QICHRZHRBNBJCQ-PKOBYXMFSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001270847271 1099711118 /nfs/dbraw/zinc/71/11/18/1099711118.db2.gz MRZPDFUAOUIYOD-UYAOXDASSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001270846379 1099712386 /nfs/dbraw/zinc/71/23/86/1099712386.db2.gz DYJBZYQHNSFUKR-QUCCMNQESA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001270850617 1099718017 /nfs/dbraw/zinc/71/80/17/1099718017.db2.gz BAZNRTJOBHKXRR-SFHVURJKSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001270851195 1099719416 /nfs/dbraw/zinc/71/94/16/1099719416.db2.gz JCHMDAKCBVFTOB-RBUKOAKNSA-N 2 0 345.531 2.894 10 30 EFEERP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001626751153 1099914436 /nfs/dbraw/zinc/91/44/36/1099914436.db2.gz VKJGBNCYJWHZFX-UHFFFAOYSA-N 2 0 338.455 2.827 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001482406091 1100042217 /nfs/dbraw/zinc/04/22/17/1100042217.db2.gz MRTOPNZUQRSEON-RBUKOAKNSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001270974529 1100326572 /nfs/dbraw/zinc/32/65/72/1100326572.db2.gz QTWOTIPYUOTOMT-ICSRJNTNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270984265 1100338119 /nfs/dbraw/zinc/33/81/19/1100338119.db2.gz ZEDFPYWTNCYWDI-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001271100975 1100481571 /nfs/dbraw/zinc/48/15/71/1100481571.db2.gz PFUCFLIKFINUBM-HOTGVXAUSA-N 2 0 345.478 2.756 10 30 EFEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001271100979 1100481749 /nfs/dbraw/zinc/48/17/49/1100481749.db2.gz PFUCFLIKFINUBM-JKSUJKDBSA-N 2 0 345.478 2.756 10 30 EFEERP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001671188188 1100944524 /nfs/dbraw/zinc/94/45/24/1100944524.db2.gz IETLAGDCXAVLMO-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2nccn2C)C[C@H]1CC ZINC001670581137 1101358055 /nfs/dbraw/zinc/35/80/55/1101358055.db2.gz DQGAWGHCJIIPFQ-IAGOWNOFSA-N 2 0 332.492 2.536 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1CC ZINC001670594991 1101376392 /nfs/dbraw/zinc/37/63/92/1101376392.db2.gz IOVVKMPSHQXPEI-AZUAARDMSA-N 2 0 341.499 2.602 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1CC ZINC001670594992 1101377653 /nfs/dbraw/zinc/37/76/53/1101377653.db2.gz IOVVKMPSHQXPEI-ICSRJNTNSA-N 2 0 341.499 2.602 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659404 1101698375 /nfs/dbraw/zinc/69/83/75/1101698375.db2.gz OPDSMFABZOPCOA-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001271440398 1101726612 /nfs/dbraw/zinc/72/66/12/1101726612.db2.gz ZSPVZBDKPHLBKQ-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC001654838624 1101761712 /nfs/dbraw/zinc/76/17/12/1101761712.db2.gz WNNKKTJGFSRUPT-UHFFFAOYSA-N 2 0 341.499 2.632 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001266371160 1101762906 /nfs/dbraw/zinc/76/29/06/1101762906.db2.gz TUZBTWZHLUVMTI-ROUUACIJSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001656257131 1102020206 /nfs/dbraw/zinc/02/02/06/1102020206.db2.gz INNKMSXXXQISRQ-VQTJNVASSA-N 2 0 343.515 2.877 10 30 EFEERP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001656264347 1102020639 /nfs/dbraw/zinc/02/06/39/1102020639.db2.gz LQOJXVSRUJTOBU-KGLIPLIRSA-N 2 0 340.370 2.503 10 30 EFEERP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CCCCCC)C2)CC1 ZINC001656398341 1102051178 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CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001271738421 1102547265 /nfs/dbraw/zinc/54/72/65/1102547265.db2.gz HDKRJLFMWLAPFJ-YLJYHZDGSA-N 2 0 341.499 2.602 10 30 EFEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001271738419 1102547327 /nfs/dbraw/zinc/54/73/27/1102547327.db2.gz HDKRJLFMWLAPFJ-PXNSSMCTSA-N 2 0 341.499 2.602 10 30 EFEERP C#C[C@@H](C)[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001659622616 1102553323 /nfs/dbraw/zinc/55/33/23/1102553323.db2.gz XTHPXWHIXNKKRB-MRXNPFEDSA-N 2 0 329.444 2.803 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266892952 1102614586 /nfs/dbraw/zinc/61/45/86/1102614586.db2.gz UMQNTWZRHXTXHZ-VQTJNVASSA-N 2 0 345.531 2.731 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001271766336 1102628155 /nfs/dbraw/zinc/62/81/55/1102628155.db2.gz MWAUTUSEWYIAPV-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266550107 1102683277 /nfs/dbraw/zinc/68/32/77/1102683277.db2.gz VNCJFCWQIXJJON-IBGZPJMESA-N 2 0 329.488 2.561 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001670479625 1102705603 /nfs/dbraw/zinc/70/56/03/1102705603.db2.gz JRTSPWSYCMWBCA-MOPGFXCFSA-N 2 0 333.520 2.844 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001660408375 1102742330 /nfs/dbraw/zinc/74/23/30/1102742330.db2.gz FPRCKCLXOJSGGZ-GOSISDBHSA-N 2 0 341.499 2.531 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001660475317 1102781548 /nfs/dbraw/zinc/78/15/48/1102781548.db2.gz LRBPUJOLRNOYKY-QUCCMNQESA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001661066989 1103107643 /nfs/dbraw/zinc/10/76/43/1103107643.db2.gz TXJFAFFLIDPJLT-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001661097343 1103126426 /nfs/dbraw/zinc/12/64/26/1103126426.db2.gz 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ZINC001666834834 1105004536 /nfs/dbraw/zinc/00/45/36/1105004536.db2.gz QKFFYRKAPUNVLT-INIZCTEOSA-N 2 0 344.503 2.966 10 30 EFEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001667333680 1105121048 /nfs/dbraw/zinc/12/10/48/1105121048.db2.gz YHZWYZDKVOLIBE-GDBMZVCRSA-N 2 0 326.444 2.659 10 30 EFEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001667392554 1105137159 /nfs/dbraw/zinc/13/71/59/1105137159.db2.gz ATCZEGNFZLRCBK-YLJYHZDGSA-N 2 0 341.499 2.602 10 30 EFEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001667392551 1105137218 /nfs/dbraw/zinc/13/72/18/1105137218.db2.gz ATCZEGNFZLRCBK-FXAWDEMLSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001667416605 1105144467 /nfs/dbraw/zinc/14/44/67/1105144467.db2.gz AYGZNXPQJWIFPK-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482970479 1105273193 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FRWAEPCNGUJQOP-QUCCMNQESA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)c1ccc2c[nH+]cn2c1C)C1CC[NH+](C(C)C)CC1 ZINC001671481522 1105642916 /nfs/dbraw/zinc/64/29/16/1105642916.db2.gz MNUHKMWEGXWFDT-UHFFFAOYSA-N 2 0 338.455 2.591 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001671512596 1105648939 /nfs/dbraw/zinc/64/89/39/1105648939.db2.gz LBDPWGPYTWLWOB-HBGVWJBISA-N 2 0 349.478 2.560 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001671598526 1105667091 /nfs/dbraw/zinc/66/70/91/1105667091.db2.gz MURZCQXHDCUWJW-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001671839655 1105711408 /nfs/dbraw/zinc/71/14/08/1105711408.db2.gz PWFDDRYYWPHWQM-LJQANCHMSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001672172199 1105765459 /nfs/dbraw/zinc/76/54/59/1105765459.db2.gz WJQQWHKCNZYOHL-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001672172200 1105765472 /nfs/dbraw/zinc/76/54/72/1105765472.db2.gz WJQQWHKCNZYOHL-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001672216659 1105777324 /nfs/dbraw/zinc/77/73/24/1105777324.db2.gz VKVAWHCODFYCRV-IEBWSBKVSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001672316206 1105799701 /nfs/dbraw/zinc/79/97/01/1105799701.db2.gz ZHLPALJRSSFPKU-XLIONFOSSA-N 2 0 343.515 2.665 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001672316204 1105799823 /nfs/dbraw/zinc/79/98/23/1105799823.db2.gz ZHLPALJRSSFPKU-FXAWDEMLSA-N 2 0 343.515 2.665 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001672328463 1105801892 /nfs/dbraw/zinc/80/18/92/1105801892.db2.gz OCVOUOHWCFYWBE-ROUUACIJSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001672368778 1105815073 /nfs/dbraw/zinc/81/50/73/1105815073.db2.gz HRFLNGKCVIOHFR-FHWLQOOXSA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001672376431 1105816835 /nfs/dbraw/zinc/81/68/35/1105816835.db2.gz BVFNMNIUXYPRRR-UAFMIMERSA-N 2 0 345.531 2.539 10 30 EFEERP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001672531008 1105858888 /nfs/dbraw/zinc/85/88/88/1105858888.db2.gz PEPBVDVCACDXGX-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001672538164 1105863878 /nfs/dbraw/zinc/86/38/78/1105863878.db2.gz NPAGNOUFSHKCTK-GUDVDZBRSA-N 2 0 335.536 2.974 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001672543784 1105867489 /nfs/dbraw/zinc/86/74/89/1105867489.db2.gz QJGPDSRTKCESMT-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001672987166 1105954455 /nfs/dbraw/zinc/95/44/55/1105954455.db2.gz MJWOQTKAMVNIAJ-IRJFHVNHSA-N 2 0 347.547 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC(C)C)CC2)CC1 ZINC001673406169 1106020027 /nfs/dbraw/zinc/02/00/27/1106020027.db2.gz BWADYGUFJSBQGE-FQEVSTJZSA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)C)CC2)CC1 ZINC001673406171 1106020180 /nfs/dbraw/zinc/02/01/80/1106020180.db2.gz BWADYGUFJSBQGE-HXUWFJFHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001673496495 1106035662 /nfs/dbraw/zinc/03/56/62/1106035662.db2.gz NDPORCJSDXAAKL-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001673769416 1106085176 /nfs/dbraw/zinc/08/51/76/1106085176.db2.gz JGEZYUXSELNAAM-IAGOWNOFSA-N 2 0 339.483 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCCC)[C@@H](C)C2)CC1 ZINC001673929480 1106104964 /nfs/dbraw/zinc/10/49/64/1106104964.db2.gz SVANJFNGQKVTFE-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001674001689 1106116310 /nfs/dbraw/zinc/11/63/10/1106116310.db2.gz JLJMXVYWIVADIL-UHFFFAOYSA-N 2 0 333.476 2.892 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001674033028 1106127932 /nfs/dbraw/zinc/12/79/32/1106127932.db2.gz DTTMOXSMCRZEBX-RTBURBONSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001674353332 1106176307 /nfs/dbraw/zinc/17/63/07/1106176307.db2.gz MADSIYVLQNLHNF-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001674354240 1106177338 /nfs/dbraw/zinc/17/73/38/1106177338.db2.gz ZICUUPNFQJIQDX-UXHICEINSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486585 1106201730 /nfs/dbraw/zinc/20/17/30/1106201730.db2.gz MAQNXDBJUYROPR-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499659 1106206646 /nfs/dbraw/zinc/20/66/46/1106206646.db2.gz MLWQNOKJBKSCLD-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001674503950 1106208271 /nfs/dbraw/zinc/20/82/71/1106208271.db2.gz BSCNKEVXGJPZBY-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001674551754 1106215801 /nfs/dbraw/zinc/21/58/01/1106215801.db2.gz XGOWMVRXGPUJKD-FAFZWHIHSA-N 2 0 333.520 2.844 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001674775898 1106255108 /nfs/dbraw/zinc/25/51/08/1106255108.db2.gz YNXKJIJIZQENMT-ZWKOTPCHSA-N 2 0 345.531 2.705 10 30 EFEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001675234689 1106320754 /nfs/dbraw/zinc/32/07/54/1106320754.db2.gz ZOVIMAAVKQBQFN-MAUKXSAKSA-N 2 0 327.488 2.650 10 30 EFEERP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001675486654 1106370874 /nfs/dbraw/zinc/37/08/74/1106370874.db2.gz MTBWOILRFITDNX-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001675688779 1106411389 /nfs/dbraw/zinc/41/13/89/1106411389.db2.gz QHQSGGPSXDEUGX-SESVDKBCSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001676086662 1106484568 /nfs/dbraw/zinc/48/45/68/1106484568.db2.gz XWKYNJHZQYDYMH-FQEVSTJZSA-N 2 0 341.499 2.523 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001676999177 1106646391 /nfs/dbraw/zinc/64/63/91/1106646391.db2.gz SIPKOHJHVLUZCP-RTBURBONSA-N 2 0 347.547 2.901 10 30 EFEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001677032838 1106653504 /nfs/dbraw/zinc/65/35/04/1106653504.db2.gz MHASAVNJZFFUTL-OALUTQOASA-N 2 0 341.499 2.529 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001677043077 1106655606 /nfs/dbraw/zinc/65/56/06/1106655606.db2.gz MIMZRXLLXWTEDW-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC001677286365 1106691354 /nfs/dbraw/zinc/69/13/54/1106691354.db2.gz GKHKXNHTCSNBLV-QYZOEREBSA-N 2 0 343.515 2.638 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001677332757 1106699295 /nfs/dbraw/zinc/69/92/95/1106699295.db2.gz LCDYPOWUNQKRMQ-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001677342102 1106701136 /nfs/dbraw/zinc/70/11/36/1106701136.db2.gz NZJPKHWHDPRGTO-XLIONFOSSA-N 2 0 341.499 2.529 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001677575153 1106750406 /nfs/dbraw/zinc/75/04/06/1106750406.db2.gz TWJVQOLWUGQPSW-GOSISDBHSA-N 2 0 345.531 2.965 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001272501654 1108562451 /nfs/dbraw/zinc/56/24/51/1108562451.db2.gz AHXSBOHUYNRKMC-GOSISDBHSA-N 2 0 335.536 2.903 10 30 EFEERP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001483802323 1112465848 /nfs/dbraw/zinc/46/58/48/1112465848.db2.gz PJSLANFJLIMTBP-UXHICEINSA-N 2 0 345.531 2.589 10 30 EFEERP C#CCC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001483813008 1112480375 /nfs/dbraw/zinc/48/03/75/1112480375.db2.gz ATQQEVOJXBPXFU-LJQANCHMSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001483837762 1112513351 /nfs/dbraw/zinc/51/33/51/1112513351.db2.gz OQROXIPKZSISCM-SFHVURJKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001483884696 1112529466 /nfs/dbraw/zinc/52/94/66/1112529466.db2.gz PYCUOEBGSWRIBF-UHFFFAOYSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483917963 1112558669 /nfs/dbraw/zinc/55/86/69/1112558669.db2.gz QKPCBXXMMRLCBA-IRXDYDNUSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)N(C)C ZINC001483959296 1112589681 /nfs/dbraw/zinc/58/96/81/1112589681.db2.gz PXZPQXCQHFUOMH-RBUKOAKNSA-N 2 0 329.488 2.836 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)N(C)C ZINC001483959294 1112589735 /nfs/dbraw/zinc/58/97/35/1112589735.db2.gz PXZPQXCQHFUOMH-MOPGFXCFSA-N 2 0 329.488 2.836 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CCCC)CC1 ZINC001483983533 1112628795 /nfs/dbraw/zinc/62/87/95/1112628795.db2.gz FCWPOOUCSBGYEP-ICSRJNTNSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483986629 1112632028 /nfs/dbraw/zinc/63/20/28/1112632028.db2.gz MGXQWUCUFBVHCU-FHWLQOOXSA-N 2 0 347.547 2.689 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001483988455 1112634167 /nfs/dbraw/zinc/63/41/67/1112634167.db2.gz BSNARQFRYKEDMA-UYAOXDASSA-N 2 0 347.547 2.689 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001484000324 1112651173 /nfs/dbraw/zinc/65/11/73/1112651173.db2.gz DKADUBYOPJNUNI-INIZCTEOSA-N 2 0 335.517 2.874 10 30 EFEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484147018 1112825257 /nfs/dbraw/zinc/82/52/57/1112825257.db2.gz NRBRJTORKCCFFX-LJQANCHMSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484195304 1112909616 /nfs/dbraw/zinc/90/96/16/1112909616.db2.gz KFQHOEHQPBLSGR-HOTGVXAUSA-N 2 0 343.462 2.510 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484521571 1112977513 /nfs/dbraw/zinc/97/75/13/1112977513.db2.gz VHCZXDCWWYDPMG-INIZCTEOSA-N 2 0 341.927 2.832 10 30 EFEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001484544804 1112997216 /nfs/dbraw/zinc/99/72/16/1112997216.db2.gz BOSXJPUTUIGAJX-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001484581811 1113034316 /nfs/dbraw/zinc/03/43/16/1113034316.db2.gz BOGVOBZRKKLNHP-MRXNPFEDSA-N 2 0 341.927 2.784 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001484581200 1113034656 /nfs/dbraw/zinc/03/46/56/1113034656.db2.gz BGZDMHFVPXPHEC-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH+]1CCc2c(CNC(=O)C[N@@H+](C)CCC)cccc2C1 ZINC001484612331 1113054348 /nfs/dbraw/zinc/05/43/48/1113054348.db2.gz YQJOTGGXNBVJPL-UHFFFAOYSA-N 2 0 343.515 2.969 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001484829118 1117747487 /nfs/dbraw/zinc/74/74/87/1117747487.db2.gz DSQIRWCDMNKCIX-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001484875514 1117790379 /nfs/dbraw/zinc/79/03/79/1117790379.db2.gz HTWQADNDELRUDI-IBGZPJMESA-N 2 0 329.488 2.925 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001484900195 1117804399 /nfs/dbraw/zinc/80/43/99/1117804399.db2.gz NVPPKVWBGUEXOX-PXNSSMCTSA-N 2 0 343.515 2.807 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCCCCC=C)C2)CC1 ZINC001484905454 1117819461 /nfs/dbraw/zinc/81/94/61/1117819461.db2.gz FVTPPKIGFYFQCX-AZUAARDMSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001484924743 1117828402 /nfs/dbraw/zinc/82/84/02/1117828402.db2.gz VXSFFWZYMINJRG-MSOLQXFVSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001484928475 1117832491 /nfs/dbraw/zinc/83/24/91/1117832491.db2.gz VCCHVKRRMWKDCV-UHFFFAOYSA-N 2 0 349.906 2.842 10 30 EFEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001484921810 1117838270 /nfs/dbraw/zinc/83/82/70/1117838270.db2.gz FGKGIYBIBVNAIC-IBGZPJMESA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001484921811 1117838611 /nfs/dbraw/zinc/83/86/11/1117838611.db2.gz FGKGIYBIBVNAIC-LJQANCHMSA-N 2 0 345.531 2.778 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)[C@H](C)C2)CC1 ZINC001484985786 1117911520 /nfs/dbraw/zinc/91/15/20/1117911520.db2.gz KRNIOMXOKWWTOA-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001485011833 1117943742 /nfs/dbraw/zinc/94/37/42/1117943742.db2.gz XLZZHXLCZXXZMD-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485043988 1117962857 /nfs/dbraw/zinc/96/28/57/1117962857.db2.gz JLKYDPVCIHTBDG-YGWPLHOASA-N 2 0 341.499 2.807 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001485080913 1118030512 /nfs/dbraw/zinc/03/05/12/1118030512.db2.gz XITIYWMDULMIDA-KRWDZBQOSA-N 2 0 345.487 2.681 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001485176873 1118112134 /nfs/dbraw/zinc/11/21/34/1118112134.db2.gz XTZMYOXQYMPZIV-HUUCEWRRSA-N 2 0 337.895 2.640 10 30 EFEERP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001485241766 1118173375 /nfs/dbraw/zinc/17/33/75/1118173375.db2.gz NAYOSWWPZXDIAA-UHFFFAOYSA-N 2 0 343.515 2.706 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001485263531 1118182395 /nfs/dbraw/zinc/18/23/95/1118182395.db2.gz IABRRNMBNJTSRA-JKSUJKDBSA-N 2 0 343.943 2.934 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001485779323 1118587827 /nfs/dbraw/zinc/58/78/27/1118587827.db2.gz ADZKLVPYRXPIED-RBUKOAKNSA-N 2 0 329.488 2.742 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](CCC[NH2+]CC)c2ccccc2)CC1 ZINC001485780778 1118588341 /nfs/dbraw/zinc/58/83/41/1118588341.db2.gz XUJSZIXJNLXSSK-FQEVSTJZSA-N 2 0 341.499 2.579 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780251 1118633180 /nfs/dbraw/zinc/63/31/80/1118633180.db2.gz OGDDFAKWQUNLBT-INIZCTEOSA-N 2 0 347.528 2.663 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780252 1118633315 /nfs/dbraw/zinc/63/33/15/1118633315.db2.gz OGDDFAKWQUNLBT-MRXNPFEDSA-N 2 0 347.528 2.663 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800797 1118634175 /nfs/dbraw/zinc/63/41/75/1118634175.db2.gz HMHCBBZEUHNXFH-OALUTQOASA-N 2 0 345.531 2.633 10 30 EFEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027078 1118657857 /nfs/dbraw/zinc/65/78/57/1118657857.db2.gz RRGGUVXNLSNAJK-DNVCBOLYSA-N 2 0 339.499 2.602 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238183 1118695174 /nfs/dbraw/zinc/69/51/74/1118695174.db2.gz UMOMBHFODBZMAV-GOSISDBHSA-N 2 0 329.488 2.765 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238491 1118696251 /nfs/dbraw/zinc/69/62/51/1118696251.db2.gz XJCNGZRHQALPJI-LJQANCHMSA-N 2 0 347.547 2.594 10 30 EFEERP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NCC1CCC(C(F)(F)F)CC1 ZINC000262540249 240358972 /nfs/dbraw/zinc/35/89/72/240358972.db2.gz QZJCSYCBWRMNKG-JXQTWKCFSA-N 2 0 334.430 2.614 10 30 EFEERP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000245620002 240257223 /nfs/dbraw/zinc/25/72/23/240257223.db2.gz NLNAXKZYXBFNDA-WCQYABFASA-N 2 0 328.913 2.795 10 30 EFEERP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245619999 240257811 /nfs/dbraw/zinc/25/78/11/240257811.db2.gz NLNAXKZYXBFNDA-DGCLKSJQSA-N 2 0 328.913 2.795 10 30 EFEERP C=CCC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000246878147 240274152 /nfs/dbraw/zinc/27/41/52/240274152.db2.gz DMZXEEXGIPJJBZ-SFTDATJTSA-N 2 0 346.515 2.691 10 30 EFEERP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[C@@H]1c1cccnc1 ZINC000263185662 240381385 /nfs/dbraw/zinc/38/13/85/240381385.db2.gz UTVRVSYQOSGXGB-GUYCJALGSA-N 2 0 345.397 2.779 10 30 EFEERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328978180 241282700 /nfs/dbraw/zinc/28/27/00/241282700.db2.gz CGSAXGADHWABIB-OAFZBRQQSA-N 2 0 347.507 2.632 10 30 EFEERP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674645 244287040 /nfs/dbraw/zinc/28/70/40/244287040.db2.gz DYJKJIHSHGHQEF-ZDUSSCGKSA-N 2 0 341.908 2.587 10 30 EFEERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(C)c3)cn2)CC1 ZINC000443978538 250243642 /nfs/dbraw/zinc/24/36/42/250243642.db2.gz HXUFSOPMXMZPKN-UHFFFAOYSA-N 2 0 349.482 2.693 10 30 EFEERP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1C#N ZINC000342419188 145121396 /nfs/dbraw/zinc/12/13/96/145121396.db2.gz AFCQTSTYQZPZAS-UHFFFAOYSA-N 2 0 338.455 2.882 10 30 EFEERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000344220581 145394982 /nfs/dbraw/zinc/39/49/82/145394982.db2.gz LSDMSUCITPQSPL-UHFFFAOYSA-N 2 0 333.395 2.616 10 30 EFEERP N#Cc1ccc(CN2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000297611207 268065661 /nfs/dbraw/zinc/06/56/61/268065661.db2.gz VDQDHGJHKWFPHE-UHFFFAOYSA-N 2 0 345.450 2.960 10 30 EFEERP N#Cc1csc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397572240 268320174 /nfs/dbraw/zinc/32/01/74/268320174.db2.gz ZDBTUOPUCAYNQB-UHFFFAOYSA-N 2 0 341.480 2.736 10 30 EFEERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(C)CCC#N ZINC000071123968 472543021 /nfs/dbraw/zinc/54/30/21/472543021.db2.gz VIHMNWVMNXLBID-KRWDZBQOSA-N 2 0 342.487 2.523 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134097674 472874835 /nfs/dbraw/zinc/87/48/35/472874835.db2.gz PSGZEIGWKOOMRV-UHFFFAOYSA-N 2 0 330.472 2.796 10 30 EFEERP C[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000048783128 472909974 /nfs/dbraw/zinc/90/99/74/472909974.db2.gz RELSVWIDJLNGRT-UHFFFAOYSA-N 2 0 334.467 2.595 10 30 EFEERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000123634531 473167161 /nfs/dbraw/zinc/16/71/61/473167161.db2.gz ZUKMVMBCINFOQG-UHFFFAOYSA-N 2 0 333.439 2.947 10 30 EFEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000178973619 473603295 /nfs/dbraw/zinc/60/32/95/473603295.db2.gz BMLISPNYSYDIJO-MRXNPFEDSA-N 2 0 334.891 2.716 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717761 474290421 /nfs/dbraw/zinc/29/04/21/474290421.db2.gz CLLXXJAYKHUBLN-UKRRQHHQSA-N 2 0 334.489 2.610 10 30 EFEERP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000271072897 474396646 /nfs/dbraw/zinc/39/66/46/474396646.db2.gz MQJVSPIQDLIPBY-KMFTYDHNSA-N 2 0 340.515 2.616 10 30 EFEERP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1C#N ZINC000310837549 474828177 /nfs/dbraw/zinc/82/81/77/474828177.db2.gz MZPDQXWKCNXPTO-HMXCVIKNSA-N 2 0 334.467 2.897 10 30 EFEERP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292085166 474840538 /nfs/dbraw/zinc/84/05/38/474840538.db2.gz GDYOYRQKBVZJIT-SFHVURJKSA-N 2 0 346.862 2.568 10 30 EFEERP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOCCC#N)CC1 ZINC000293937518 475059697 /nfs/dbraw/zinc/05/96/97/475059697.db2.gz ZKQDKLLFYLZRHA-MRXNPFEDSA-N 2 0 348.466 2.548 10 30 EFEERP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCCC#N)CC1 ZINC000293937515 475059981 /nfs/dbraw/zinc/05/99/81/475059981.db2.gz ZKQDKLLFYLZRHA-INIZCTEOSA-N 2 0 348.466 2.548 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)C(C)C ZINC000353436400 475964288 /nfs/dbraw/zinc/96/42/88/475964288.db2.gz BHWHLGYHKYCATN-GOSISDBHSA-N 2 0 330.476 2.576 10 30 EFEERP CC[NH+](CC)CC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000350144264 476066913 /nfs/dbraw/zinc/06/69/13/476066913.db2.gz CMNWFAIOZPQOSJ-UHFFFAOYSA-N 2 0 325.460 2.760 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797246 476692710 /nfs/dbraw/zinc/69/27/10/476692710.db2.gz UUAIHQRYACQRGN-YJBOKZPZSA-N 2 0 328.460 2.549 10 30 EFEERP N#C[C@@H]1CCCC[C@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390878301 476807753 /nfs/dbraw/zinc/80/77/53/476807753.db2.gz UBVRPJOSYSVPKO-XUVXKRRUSA-N 2 0 327.472 2.949 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415126807 476909383 /nfs/dbraw/zinc/90/93/83/476909383.db2.gz MKAWTKCZDCKAFQ-VQTJNVASSA-N 2 0 330.472 2.970 10 30 EFEERP N#Cc1ccc(C[NH+]2CCC(NC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000423253973 476975196 /nfs/dbraw/zinc/97/51/96/476975196.db2.gz ZJZGMTZLSMXUPL-NRFANRHFSA-N 2 0 334.467 2.812 10 30 EFEERP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000447597950 477020333 /nfs/dbraw/zinc/02/03/33/477020333.db2.gz UGPDWWGGIRYGQX-OALUTQOASA-N 2 0 344.503 2.691 10 30 EFEERP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000424167576 477314471 /nfs/dbraw/zinc/31/44/71/477314471.db2.gz DZFTYJNQJDZYGS-FPOVZHCZSA-N 2 0 343.515 2.899 10 30 EFEERP N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4c[nH]cn4)CC3)C2=O)cc1 ZINC000367916974 477753510 /nfs/dbraw/zinc/75/35/10/477753510.db2.gz KISYEVNFVXOZGM-IBGZPJMESA-N 2 0 349.438 2.656 10 30 EFEERP Cc1nsc(NCC2(N3CCCCC3)CC[NH+](C)CC2)c1C#N ZINC000367935945 477761044 /nfs/dbraw/zinc/76/10/44/477761044.db2.gz SVJOERNLIYPFHZ-UHFFFAOYSA-N 2 0 333.505 2.685 10 30 EFEERP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594437689 478387858 /nfs/dbraw/zinc/38/78/58/478387858.db2.gz KSWLMEIRPCCBMT-SFHVURJKSA-N 2 0 330.476 2.554 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000594439566 478388601 /nfs/dbraw/zinc/38/86/01/478388601.db2.gz XIPSGYQCZZQEOR-ROUUACIJSA-N 2 0 334.508 2.512 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000594441938 478391418 /nfs/dbraw/zinc/39/14/18/478391418.db2.gz YWNDYAQFPXPPCH-RTBURBONSA-N 2 0 342.487 2.741 10 30 EFEERP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000594498666 478411232 /nfs/dbraw/zinc/41/12/32/478411232.db2.gz SNYADQDDTUFQPA-UXHICEINSA-N 2 0 341.499 2.955 10 30 EFEERP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000594498668 478412536 /nfs/dbraw/zinc/41/25/36/478412536.db2.gz SNYADQDDTUFQPA-WOJBJXKFSA-N 2 0 341.499 2.955 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000600713726 478480009 /nfs/dbraw/zinc/48/00/09/478480009.db2.gz DMIKAILRLKPENF-IBGZPJMESA-N 2 0 327.472 2.817 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600718671 478483459 /nfs/dbraw/zinc/48/34/59/478483459.db2.gz AEWQMQMQZJGBET-MOPGFXCFSA-N 2 0 327.472 2.543 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000600721391 478485061 /nfs/dbraw/zinc/48/50/61/478485061.db2.gz LSHRSVFFECYPEV-INIZCTEOSA-N 2 0 333.501 2.604 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000600721392 478486184 /nfs/dbraw/zinc/48/61/84/478486184.db2.gz LSHRSVFFECYPEV-MRXNPFEDSA-N 2 0 333.501 2.604 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000600723618 478487532 /nfs/dbraw/zinc/48/75/32/478487532.db2.gz XZBUFULGTDDUJV-IBGZPJMESA-N 2 0 327.472 2.543 10 30 EFEERP COCCC[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924638 478586878 /nfs/dbraw/zinc/58/68/78/478586878.db2.gz KCFNNAFKWHGSOR-UHFFFAOYSA-N 2 0 327.472 2.832 10 30 EFEERP N#CC1(c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000594928490 478590723 /nfs/dbraw/zinc/59/07/23/478590723.db2.gz ZKWUKIKLCKDEAL-LJQANCHMSA-N 2 0 327.472 2.568 10 30 EFEERP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000594932016 478592411 /nfs/dbraw/zinc/59/24/11/478592411.db2.gz UJLSBPNOIPIEAR-VQTJNVASSA-N 2 0 339.483 2.709 10 30 EFEERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067643 478649406 /nfs/dbraw/zinc/64/94/06/478649406.db2.gz HQNSROQLRZARFQ-HRAATJIYSA-N 2 0 335.451 2.976 10 30 EFEERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528365836 478736951 /nfs/dbraw/zinc/73/69/51/478736951.db2.gz DCIUZMIQYIJSJA-FQEVSTJZSA-N 2 0 341.499 2.885 10 30 EFEERP CCC1([NH+]2CCOCC2)CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000599663038 479377716 /nfs/dbraw/zinc/37/77/16/479377716.db2.gz AEEMQBFCJLGGAT-UHFFFAOYSA-N 2 0 343.471 2.644 10 30 EFEERP CCC1([NH+]2CCOCC2)CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000599663822 479378654 /nfs/dbraw/zinc/37/86/54/479378654.db2.gz KNLVINUFUWBMKN-UHFFFAOYSA-N 2 0 343.471 2.644 10 30 EFEERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1F ZINC000611587385 479426699 /nfs/dbraw/zinc/42/66/99/479426699.db2.gz BOENGZAPYKHJLP-ZBFHGGJFSA-N 2 0 330.451 2.516 10 30 EFEERP C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693673 481908175 /nfs/dbraw/zinc/90/81/75/481908175.db2.gz ZLCDXLMYBLHEEU-OALUTQOASA-N 2 0 328.504 2.928 10 30 EFEERP C=CC[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651702816 481912573 /nfs/dbraw/zinc/91/25/73/481912573.db2.gz DLNPWGKRPHUEQM-RBUKOAKNSA-N 2 0 343.519 2.713 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666163 481923096 /nfs/dbraw/zinc/92/30/96/481923096.db2.gz QUJDHXAUJVENPY-CRAIPNDOSA-N 2 0 333.501 2.700 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000662668849 481924572 /nfs/dbraw/zinc/92/45/72/481924572.db2.gz KSLWQVPYDFUSAS-FQEVSTJZSA-N 2 0 327.472 2.597 10 30 EFEERP C=CC[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673834 481927960 /nfs/dbraw/zinc/92/79/60/481927960.db2.gz SHUODGGHKARMNZ-OAQYLSRUSA-N 2 0 341.499 2.774 10 30 EFEERP C=CC[C@]1(C(=O)NCc2cccc(C[NH+](CC)CC)c2)CCC[NH2+]1 ZINC000662676025 481929100 /nfs/dbraw/zinc/92/91/00/481929100.db2.gz WKBAQZWHVKJBFH-HXUWFJFHSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693790 481936768 /nfs/dbraw/zinc/93/67/68/481936768.db2.gz RAXJZNGGVDLBJY-CTNGQTDRSA-N 2 0 341.499 2.713 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662712871 481944974 /nfs/dbraw/zinc/94/49/74/481944974.db2.gz TUOOAVBJPUOAMZ-VQIMIIECSA-N 2 0 331.460 2.539 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662712870 481945730 /nfs/dbraw/zinc/94/57/30/481945730.db2.gz TUOOAVBJPUOAMZ-QFBILLFUSA-N 2 0 331.460 2.539 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000662717267 481946126 /nfs/dbraw/zinc/94/61/26/481946126.db2.gz YPCONNIOEBXIHL-UYAOXDASSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719079 481946397 /nfs/dbraw/zinc/94/63/97/481946397.db2.gz WKCBNMSAJDWBSG-JXFKEZNVSA-N 2 0 329.488 2.930 10 30 EFEERP C=CC[C@@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662725873 481949145 /nfs/dbraw/zinc/94/91/45/481949145.db2.gz IKZXFKZPKUJMBW-IBGZPJMESA-N 2 0 331.460 2.654 10 30 EFEERP C=C(C)CN(Cc1ccc(CO)o1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145707 481996443 /nfs/dbraw/zinc/99/64/43/481996443.db2.gz QNFDRXSERHWRND-UHFFFAOYSA-N 2 0 338.411 2.931 10 30 EFEERP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](C)[NH+](C)C ZINC000358863668 534440605 /nfs/dbraw/zinc/44/06/05/534440605.db2.gz JHVXIOLHHOQAHB-HNNXBMFYSA-N 2 0 337.537 2.535 10 30 EFEERP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649902 527636362 /nfs/dbraw/zinc/63/63/62/527636362.db2.gz CWEOLDUYOLIAKZ-ROUUACIJSA-N 2 0 342.487 2.713 10 30 EFEERP CC[NH+]=C(NCC1CCSCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262767357 535260100 /nfs/dbraw/zinc/26/01/00/535260100.db2.gz HQVUQODCKJTQAI-INIZCTEOSA-N 2 0 338.565 2.702 10 30 EFEERP CC(C)[NH+]=C(NCCc1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262702595 535338574 /nfs/dbraw/zinc/33/85/74/535338574.db2.gz ZKYMCQREUNVAGU-ALOPSCKCSA-N 2 0 332.492 2.781 10 30 EFEERP C=CCCn1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000657298351 547092209 /nfs/dbraw/zinc/09/22/09/547092209.db2.gz SPFGYLKPPJXNEJ-UHFFFAOYSA-N 2 0 325.460 2.740 10 30 EFEERP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000756542242 575757730 /nfs/dbraw/zinc/75/77/30/575757730.db2.gz GSWRJFZJDXBGQH-HXUWFJFHSA-N 2 0 340.467 2.927 10 30 EFEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691397764 1248737355 /nfs/dbraw/zinc/73/73/55/1248737355.db2.gz BNMIIUFQHSMKQR-BHIYHBOVSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691409919 1248748027 /nfs/dbraw/zinc/74/80/27/1248748027.db2.gz JJVFBDGQKJZQAR-FXAWDEMLSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001268121786 1249697905 /nfs/dbraw/zinc/69/79/05/1249697905.db2.gz XIHILANXGNKSIB-HKUYNNGSSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001268121790 1249697943 /nfs/dbraw/zinc/69/79/43/1249697943.db2.gz XIHILANXGNKSIB-PKOBYXMFSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](CC)c2ccccc2)CC1 ZINC001691000665 1247917962 /nfs/dbraw/zinc/91/79/62/1247917962.db2.gz OAXIMMURTQDTJX-FQEVSTJZSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001772541994 1248274707 /nfs/dbraw/zinc/27/47/07/1248274707.db2.gz KEKQOBZZIXDXBE-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C\CCC)CC1 ZINC001691112613 1248433713 /nfs/dbraw/zinc/43/37/13/1248433713.db2.gz IQTFWKQMMXJRTG-HCZHMGAMSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001691200548 1248526732 /nfs/dbraw/zinc/52/67/32/1248526732.db2.gz YQWQRFGZNAMGKP-RBUKOAKNSA-N 2 0 343.515 2.735 10 30 EFEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001692030348 1248550827 /nfs/dbraw/zinc/55/08/27/1248550827.db2.gz MUPUNANRCSTQPO-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)C[C@H](C)CC)CC2)CC1 ZINC001692030298 1248551469 /nfs/dbraw/zinc/55/14/69/1248551469.db2.gz KLFCJLCGXFAPCI-GOSISDBHSA-N 2 0 347.547 2.548 10 30 EFEERP C#CCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000850344510 1250442191 /nfs/dbraw/zinc/44/21/91/1250442191.db2.gz LEHCZPMBGBAJOT-UHFFFAOYSA-N 2 0 342.483 2.679 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC001270448792 1250468631 /nfs/dbraw/zinc/46/86/31/1250468631.db2.gz GBCYUEGNQMSMLA-ICSRJNTNSA-N 2 0 333.520 2.703 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691556360 1251770464 /nfs/dbraw/zinc/77/04/64/1251770464.db2.gz BEIHQQNDXBASPJ-XUVXKRRUSA-N 2 0 343.515 2.877 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001691621837 1251840117 /nfs/dbraw/zinc/84/01/17/1251840117.db2.gz ZWXVYZUBIFQBTO-QZTJIDSGSA-N 2 0 341.515 2.993 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484116704 1252282938 /nfs/dbraw/zinc/28/29/38/1252282938.db2.gz IJMQAUFUWAZMCB-HXUWFJFHSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001484385549 1252502453 /nfs/dbraw/zinc/50/24/53/1252502453.db2.gz KSMUNRRSBLDPCO-RDJZCZTQSA-N 2 0 341.927 2.689 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484396479 1252518504 /nfs/dbraw/zinc/51/85/04/1252518504.db2.gz DDVPIKDOUXKLFJ-LWYYNNOASA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001484396481 1252518527 /nfs/dbraw/zinc/51/85/27/1252518527.db2.gz DDVPIKDOUXKLFJ-UAFMIMERSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001484399012 1252525629 /nfs/dbraw/zinc/52/56/29/1252525629.db2.gz SZJJCVUCSGPRNP-UHFFFAOYSA-N 2 0 341.499 2.809 10 30 EFEERP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001484772332 1252947148 /nfs/dbraw/zinc/94/71/48/1252947148.db2.gz QWPHNWMKRUBCMN-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001484812501 1253020687 /nfs/dbraw/zinc/02/06/87/1253020687.db2.gz ASNMJKCCWDFBRS-QGZVFWFLSA-N 2 0 344.503 2.773 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001485826064 1256697042 /nfs/dbraw/zinc/69/70/42/1256697042.db2.gz FSOBBSDQDAXLDU-IBGZPJMESA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001670939485 1258790655 /nfs/dbraw/zinc/79/06/55/1258790655.db2.gz GRDLDMHSTJFFGM-DUZACMNTSA-N 2 0 330.476 2.666 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001670989276 1259347484 /nfs/dbraw/zinc/34/74/84/1259347484.db2.gz OXTNRGFECOJGCB-NRFANRHFSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001671039508 1259847919 /nfs/dbraw/zinc/84/79/19/1259847919.db2.gz OXLKLDHRMLNOAH-FXAWDEMLSA-N 2 0 344.503 2.869 10 30 EFEERP CCCCCCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001272825794 1261055458 /nfs/dbraw/zinc/05/54/58/1261055458.db2.gz IXZDHADBUGBCTA-UHFFFAOYSA-N 2 0 335.536 2.977 10 30 EFEERP C=C(C)CC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001272917460 1261331570 /nfs/dbraw/zinc/33/15/70/1261331570.db2.gz YXIBNIXSIHEIDJ-HXUWFJFHSA-N 2 0 343.515 2.967 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001486128058 1262705345 /nfs/dbraw/zinc/70/53/45/1262705345.db2.gz JUEZEYLEFIRUAH-APWZRJJASA-N 2 0 329.488 2.907 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]21 ZINC001486162364 1262723300 /nfs/dbraw/zinc/72/33/00/1262723300.db2.gz UMPTUSBBSXZTEM-GUDVDZBRSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001486162499 1262723504 /nfs/dbraw/zinc/72/35/04/1262723504.db2.gz VXJZBLRGARYXQC-KZNAEPCWSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486222628 1262828023 /nfs/dbraw/zinc/82/80/23/1262828023.db2.gz YUKGTPJIPCBJKA-APWZRJJASA-N 2 0 329.488 2.812 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486247648 1262851474 /nfs/dbraw/zinc/85/14/74/1262851474.db2.gz JGLNCEWNKCAKIV-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486247646 1262851640 /nfs/dbraw/zinc/85/16/40/1262851640.db2.gz JGLNCEWNKCAKIV-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001486248972 1262853656 /nfs/dbraw/zinc/85/36/56/1262853656.db2.gz BYKHZTSSHYBXOX-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001486251018 1262856911 /nfs/dbraw/zinc/85/69/11/1262856911.db2.gz VGBFSDVGSYGVDZ-MRXNPFEDSA-N 2 0 341.927 2.832 10 30 EFEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001486449255 1263140201 /nfs/dbraw/zinc/14/02/01/1263140201.db2.gz RQQFJODEBFWUSI-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001486488944 1263229425 /nfs/dbraw/zinc/22/94/25/1263229425.db2.gz UKGFAHYFDJXCBT-GOSISDBHSA-N 2 0 333.520 2.798 10 30 EFEERP CCC[NH+]1CCN(c2ccccc2C=[NH+]OC[C@@H]2CCOC2)CC1 ZINC000788030558 1276010528 /nfs/dbraw/zinc/01/05/28/1276010528.db2.gz ORJQPTTYFFZHBL-QGZVFWFLSA-N 2 0 331.460 2.606 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001136362175 1277268476 /nfs/dbraw/zinc/26/84/76/1277268476.db2.gz SBJXOHIQZYQMJW-HKUYNNGSSA-N 2 0 329.488 2.788 10 30 EFEERP C=CCCC[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844693763 1279183148 /nfs/dbraw/zinc/18/31/48/1279183148.db2.gz DURUFBAXWOYQMB-PMACEKPBSA-N 2 0 341.499 2.822 10 30 EFEERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006202 1279974719 /nfs/dbraw/zinc/97/47/19/1279974719.db2.gz HIIHERGHCIFTPG-FQEVSTJZSA-N 2 0 347.422 2.613 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000876736967 1290994967 /nfs/dbraw/zinc/99/49/67/1290994967.db2.gz YNKGRGYYXZIECI-IAGOWNOFSA-N 2 0 335.879 2.627 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742574 1291001030 /nfs/dbraw/zinc/00/10/30/1291001030.db2.gz UXLIVPCSIKRTKU-IAGOWNOFSA-N 2 0 335.879 2.718 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876753147 1291006305 /nfs/dbraw/zinc/00/63/05/1291006305.db2.gz BDDVZQXDYSHPCW-XIRDDKMYSA-N 2 0 335.879 2.626 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000876754233 1291007066 /nfs/dbraw/zinc/00/70/66/1291007066.db2.gz DAHCHPABWYRIQI-YOEHRIQHSA-N 2 0 335.879 2.798 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000876764053 1291010396 /nfs/dbraw/zinc/01/03/96/1291010396.db2.gz NFWYPQQVHFUJGU-FBVQUNGASA-N 2 0 347.890 2.768 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768535 1291013352 /nfs/dbraw/zinc/01/33/52/1291013352.db2.gz XBGSGMOZKQHTHV-NONVJHHQSA-N 2 0 349.906 2.729 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606540 1292295801 /nfs/dbraw/zinc/29/58/01/1292295801.db2.gz ADXFJFUQSRRONZ-UXHICEINSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCCO1 ZINC000883216906 1293509735 /nfs/dbraw/zinc/50/97/35/1293509735.db2.gz XTUHRNJBQLKXHH-PCCBWWKXSA-N 2 0 344.499 2.857 10 30 EFEERP C=CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCO1 ZINC000883233439 1293516061 /nfs/dbraw/zinc/51/60/61/1293516061.db2.gz IYTHPEUNLQDGII-VQTJNVASSA-N 2 0 336.520 2.981 10 30 EFEERP C=CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCO1 ZINC000883233438 1293516303 /nfs/dbraw/zinc/51/63/03/1293516303.db2.gz IYTHPEUNLQDGII-UXHICEINSA-N 2 0 336.520 2.981 10 30 EFEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001276448067 1313101207 /nfs/dbraw/zinc/10/12/07/1313101207.db2.gz UTBUVZYIEVBLJL-VQIMIIECSA-N 2 0 329.488 2.692 10 30 EFEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001277893265 1313193069 /nfs/dbraw/zinc/19/30/69/1313193069.db2.gz IMYBRJANTDFRTH-MRXNPFEDSA-N 2 0 326.444 2.889 10 30 EFEERP C#Cc1ccc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001205741197 1313348025 /nfs/dbraw/zinc/34/80/25/1313348025.db2.gz VAHVMDZOEKIZNJ-UHFFFAOYSA-N 2 0 347.506 2.918 10 30 EFEERP CC(C)[NH+]1CCC(N2CC[NH+](CC3CCC(C#N)CC3)CC2)CC1 ZINC000930045415 1297225565 /nfs/dbraw/zinc/22/55/65/1297225565.db2.gz QEFBTIOUCVXFAC-UHFFFAOYSA-N 2 0 332.536 2.807 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001488998185 1297952799 /nfs/dbraw/zinc/95/27/99/1297952799.db2.gz MXPBWAFAVOMIAW-PBHICJAKSA-N 2 0 341.927 2.688 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001490303780 1298722793 /nfs/dbraw/zinc/72/27/93/1298722793.db2.gz QOGNGUPAGBDYQB-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001490303781 1298723675 /nfs/dbraw/zinc/72/36/75/1298723675.db2.gz QOGNGUPAGBDYQB-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441462 1298866737 /nfs/dbraw/zinc/86/67/37/1298866737.db2.gz CZRDMQUFYQYODJ-SFHVURJKSA-N 2 0 333.520 2.942 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001490599633 1299022320 /nfs/dbraw/zinc/02/23/20/1299022320.db2.gz RYRJWNPGBUIQEN-JKSUJKDBSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001490611568 1299037323 /nfs/dbraw/zinc/03/73/23/1299037323.db2.gz XKGKWJKWSJXMOW-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001490793695 1299261770 /nfs/dbraw/zinc/26/17/70/1299261770.db2.gz JVLNQQAFGYTHIC-MKXGPGLRSA-N 2 0 333.520 2.891 10 30 EFEERP C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(C(F)(F)F)cnc1C#N ZINC000853774913 1300270782 /nfs/dbraw/zinc/27/07/82/1300270782.db2.gz ZATAZMNPIUCYJH-LBPRGKRZSA-N 2 0 343.397 2.656 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278200238 1313780516 /nfs/dbraw/zinc/78/05/16/1313780516.db2.gz APBOGWZMYWSQLK-GOSISDBHSA-N 2 0 333.520 2.608 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001278200740 1313781467 /nfs/dbraw/zinc/78/14/67/1313781467.db2.gz SLTROZMHZRETII-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001276612349 1314083246 /nfs/dbraw/zinc/08/32/46/1314083246.db2.gz QBXLHJFRWXENLA-SJLPKXTDSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001278337118 1314155952 /nfs/dbraw/zinc/15/59/52/1314155952.db2.gz XNLCQWAOWVBAOV-FPOVZHCZSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000900411436 1308140225 /nfs/dbraw/zinc/14/02/25/1308140225.db2.gz INAKOXXLOSQDSJ-UHFFFAOYSA-N 2 0 341.499 2.544 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000900439533 1308163473 /nfs/dbraw/zinc/16/34/73/1308163473.db2.gz NAHRZRQOULSRCD-MRXNPFEDSA-N 2 0 335.517 2.584 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000900512827 1308239137 /nfs/dbraw/zinc/23/91/37/1308239137.db2.gz OTNZQLFQTYNNIE-UHFFFAOYSA-N 2 0 330.476 2.639 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000900529351 1308264701 /nfs/dbraw/zinc/26/47/01/1308264701.db2.gz OESMDPSGOGVAOC-UHFFFAOYSA-N 2 0 343.515 2.865 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491180600 1311169331 /nfs/dbraw/zinc/16/93/31/1311169331.db2.gz UDOJTQQQXJGFQA-AZUAARDMSA-N 2 0 341.499 2.531 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001491276137 1311182984 /nfs/dbraw/zinc/18/29/84/1311182984.db2.gz TUVJLVDCTZLTAN-MRXNPFEDSA-N 2 0 333.476 2.892 10 30 EFEERP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001284149791 1320237473 /nfs/dbraw/zinc/23/74/73/1320237473.db2.gz YLBJEKDWELWMAB-VQTJNVASSA-N 2 0 343.515 2.754 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001277308376 1311960548 /nfs/dbraw/zinc/96/05/48/1311960548.db2.gz ILHQSAUAUDBIRZ-MSRNWOCLSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@@]1(C)CCCCO1 ZINC000902745625 1312071906 /nfs/dbraw/zinc/07/19/06/1312071906.db2.gz RSCAQNLZFXEWJV-WOJBJXKFSA-N 2 0 337.552 2.898 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902789133 1312109027 /nfs/dbraw/zinc/10/90/27/1312109027.db2.gz CIJPQARLGKUMDK-SLFFLAALSA-N 2 0 337.552 2.754 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902794652 1312114011 /nfs/dbraw/zinc/11/40/11/1312114011.db2.gz XPLVZRZJPLXKKS-WOJBJXKFSA-N 2 0 337.552 2.898 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277428960 1312155193 /nfs/dbraw/zinc/15/51/93/1312155193.db2.gz GEZHGWZTAGYJEK-KRWDZBQOSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001277473898 1312400254 /nfs/dbraw/zinc/40/02/54/1312400254.db2.gz LYPSXKAVHDKYPY-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001277609872 1312621419 /nfs/dbraw/zinc/62/14/19/1312621419.db2.gz IMAJHBKTHJITHK-LPHOPBHVSA-N 2 0 333.520 2.891 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449767 1314632967 /nfs/dbraw/zinc/63/29/67/1314632967.db2.gz ILOMXLQGNXQSPL-NQIIRXRSSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001278487159 1314789385 /nfs/dbraw/zinc/78/93/85/1314789385.db2.gz MBQWTSOTWKYYOT-KZNAEPCWSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001276762715 1315117447 /nfs/dbraw/zinc/11/74/47/1315117447.db2.gz SAJWTLKQTDOGOR-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278613363 1315293690 /nfs/dbraw/zinc/29/36/90/1315293690.db2.gz KVQCDYOAYUJMRS-HKUYNNGSSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278741633 1315640657 /nfs/dbraw/zinc/64/06/57/1315640657.db2.gz QCAYNZWNIXUIFB-HNNXBMFYSA-N 2 0 343.462 2.510 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001278982331 1316019542 /nfs/dbraw/zinc/01/95/42/1316019542.db2.gz BMLLLYCANNCYHM-KRWDZBQOSA-N 2 0 335.536 2.642 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC2CCCCC2)CC1 ZINC001318605844 1328649797 /nfs/dbraw/zinc/64/97/97/1328649797.db2.gz KCCAKWCAKABSHL-HXUWFJFHSA-N 2 0 347.547 2.786 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@@H](C)CC(C)C)CC1 ZINC001263821008 1316566532 /nfs/dbraw/zinc/56/65/32/1316566532.db2.gz KXZKCFIQOYKKFR-ICSRJNTNSA-N 2 0 347.547 2.547 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001263861485 1316569647 /nfs/dbraw/zinc/56/96/47/1316569647.db2.gz CBSUWOFSGMLVRF-KZNAEPCWSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001264099449 1316589262 /nfs/dbraw/zinc/58/92/62/1316589262.db2.gz BMAPOFAHORSMQM-QRVBRYPASA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001264551217 1316630515 /nfs/dbraw/zinc/63/05/15/1316630515.db2.gz XRKRWIKVMXEASR-YDZRNGNQSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001264555915 1316631285 /nfs/dbraw/zinc/63/12/85/1316631285.db2.gz WXQCQUKTTGVLSR-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001264559692 1316631737 /nfs/dbraw/zinc/63/17/37/1316631737.db2.gz ODHHWRDIVGUARE-AOIWGVFYSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264586494 1316636006 /nfs/dbraw/zinc/63/60/06/1316636006.db2.gz QHSRPEVKMJXHOB-NEWSRXKRSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264592635 1316638218 /nfs/dbraw/zinc/63/82/18/1316638218.db2.gz NXNRHTMUCRYYCF-VAMGGRTRSA-N 2 0 343.515 2.877 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001264594035 1316638599 /nfs/dbraw/zinc/63/85/99/1316638599.db2.gz DEMMLAPEPMPSDC-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001264594038 1316638627 /nfs/dbraw/zinc/63/86/27/1316638627.db2.gz DEMMLAPEPMPSDC-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001264596489 1316639910 /nfs/dbraw/zinc/63/99/10/1316639910.db2.gz XMTQAMJPEUXAEF-RTBURBONSA-N 2 0 347.478 2.628 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001281086494 1316672009 /nfs/dbraw/zinc/67/20/09/1316672009.db2.gz DKTQLFOHIFUIIU-QUCCMNQESA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001265194647 1316749384 /nfs/dbraw/zinc/74/93/84/1316749384.db2.gz JYOYJIXAXSPHES-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001265338842 1316785408 /nfs/dbraw/zinc/78/54/08/1316785408.db2.gz NDLBIQPXZVVRTM-GOSISDBHSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265390325 1316795165 /nfs/dbraw/zinc/79/51/65/1316795165.db2.gz CCPHQBAISMFLLD-SFHVURJKSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265394524 1316797909 /nfs/dbraw/zinc/79/79/09/1316797909.db2.gz DCXDODUQQYBGRZ-QZTJIDSGSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265399322 1316799701 /nfs/dbraw/zinc/79/97/01/1316799701.db2.gz UHUWFTAZDXDEGC-PMACEKPBSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265436224 1316805589 /nfs/dbraw/zinc/80/55/89/1316805589.db2.gz BUYGATCKPQTNKM-HOCLYGCPSA-N 2 0 326.444 2.802 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001265498854 1316813777 /nfs/dbraw/zinc/81/37/77/1316813777.db2.gz KEINFUZPQCTSCC-SNRMKQJTSA-N 2 0 329.488 2.953 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265502933 1316814166 /nfs/dbraw/zinc/81/41/66/1316814166.db2.gz CVTAKLYJNTWFIB-FHWLQOOXSA-N 2 0 329.488 2.882 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265624100 1316837420 /nfs/dbraw/zinc/83/74/20/1316837420.db2.gz LAZURKDHIRBVTM-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001318665441 1328663838 /nfs/dbraw/zinc/66/38/38/1328663838.db2.gz ZKPPDAJNRLYROJ-ROUUACIJSA-N 2 0 333.520 2.988 10 30 EFEERP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001266000369 1316945434 /nfs/dbraw/zinc/94/54/34/1316945434.db2.gz AYZBWNQIXGOLNS-DNVCBOLYSA-N 2 0 338.455 2.639 10 30 EFEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001266078655 1317002301 /nfs/dbraw/zinc/00/23/01/1317002301.db2.gz KBVAWQMXKXBVFA-IRXDYDNUSA-N 2 0 345.487 2.775 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266217399 1317158194 /nfs/dbraw/zinc/15/81/94/1317158194.db2.gz ZFCTWYBBJCKVBA-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266217400 1317158440 /nfs/dbraw/zinc/15/84/40/1317158440.db2.gz ZFCTWYBBJCKVBA-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001279236496 1317215983 /nfs/dbraw/zinc/21/59/83/1317215983.db2.gz QUQFWWYWFIVBBK-UHFFFAOYSA-N 2 0 335.517 2.969 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001279262205 1317219970 /nfs/dbraw/zinc/21/99/70/1317219970.db2.gz LPVZKBDEBUKTMN-BJLQDIEVSA-N 2 0 345.531 2.539 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001279262845 1317221321 /nfs/dbraw/zinc/22/13/21/1317221321.db2.gz VFKUJARWBUBAJB-VAMGGRTRSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001279282174 1317225594 /nfs/dbraw/zinc/22/55/94/1317225594.db2.gz VMTJHLQZQAYHKN-GUDVDZBRSA-N 2 0 335.536 2.807 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001279566255 1317301714 /nfs/dbraw/zinc/30/17/14/1317301714.db2.gz OWLVLAZPUIWEFV-RBUKOAKNSA-N 2 0 345.531 2.894 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC/C=C\CC)C2)CC1 ZINC001280307182 1317503104 /nfs/dbraw/zinc/50/31/04/1317503104.db2.gz JUMFQOUYEYZVAN-SFFCAUCYSA-N 2 0 345.531 2.516 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001280376895 1317532157 /nfs/dbraw/zinc/53/21/57/1317532157.db2.gz XOODWXLTBKIDSE-IRJFHVNHSA-N 2 0 347.547 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC=C)CC2)CC1 ZINC001280381613 1317535155 /nfs/dbraw/zinc/53/51/55/1317535155.db2.gz RMIWTUNIQKFGHX-KESTWPANSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001280394645 1317541453 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2.518 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001319031253 1328768274 /nfs/dbraw/zinc/76/82/74/1328768274.db2.gz FFNVLKOGVUIKTN-LJQANCHMSA-N 2 0 339.499 2.603 10 30 EFEERP C#CCC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001281796314 1318587219 /nfs/dbraw/zinc/58/72/19/1318587219.db2.gz RRVMWIXDVWLSJN-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001281834409 1318597842 /nfs/dbraw/zinc/59/78/42/1318597842.db2.gz YBWMZZCFCHMIQG-UXHICEINSA-N 2 0 345.531 2.587 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001281834407 1318599337 /nfs/dbraw/zinc/59/93/37/1318599337.db2.gz YBWMZZCFCHMIQG-PMACEKPBSA-N 2 0 345.531 2.587 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001281839699 1318599830 /nfs/dbraw/zinc/59/98/30/1318599830.db2.gz BQYQWOKQXODCRT-RTBURBONSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001281839697 1318601226 /nfs/dbraw/zinc/60/12/26/1318601226.db2.gz BQYQWOKQXODCRT-RBUKOAKNSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001281844905 1318602385 /nfs/dbraw/zinc/60/23/85/1318602385.db2.gz GIQJDYCMGVXSIK-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001281905375 1318618578 /nfs/dbraw/zinc/61/85/78/1318618578.db2.gz IZUXCNHGLJPCJZ-IPMKNSEASA-N 2 0 347.478 2.614 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001281904972 1318619280 /nfs/dbraw/zinc/61/92/80/1318619280.db2.gz CMVDBUROQLMVOO-HSALFYBXSA-N 2 0 341.499 2.809 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281912807 1318623554 /nfs/dbraw/zinc/62/35/54/1318623554.db2.gz QEBQOKWZBSLXMN-OZOXKJRCSA-N 2 0 341.499 2.666 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001281975171 1318642762 /nfs/dbraw/zinc/64/27/62/1318642762.db2.gz LFZNIDOLGSUZIK-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001281975851 1318643106 /nfs/dbraw/zinc/64/31/06/1318643106.db2.gz QVQRIWMOEMCQRE-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001319093098 1328778203 /nfs/dbraw/zinc/77/82/03/1328778203.db2.gz MNJDGBFLYRZMMB-GOSISDBHSA-N 2 0 329.488 2.561 10 30 EFEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001282303152 1318832093 /nfs/dbraw/zinc/83/20/93/1318832093.db2.gz NERWXNVVALZMNJ-UHFFFAOYSA-N 2 0 341.459 2.531 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001282303225 1318832422 /nfs/dbraw/zinc/83/24/22/1318832422.db2.gz RCAMQSNPHAOYPU-UHFFFAOYSA-N 2 0 335.536 2.739 10 30 EFEERP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674493 1319065003 /nfs/dbraw/zinc/06/50/03/1319065003.db2.gz FHKYGWGEHWGSEY-LPHOPBHVSA-N 2 0 339.499 2.746 10 30 EFEERP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001282713844 1319088633 /nfs/dbraw/zinc/08/86/33/1319088633.db2.gz AVKHSIXAFACIKL-APWZRJJASA-N 2 0 335.536 2.735 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001282813625 1319142488 /nfs/dbraw/zinc/14/24/88/1319142488.db2.gz YSUQYMDPPUEOSC-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001282997440 1319249616 /nfs/dbraw/zinc/24/96/16/1319249616.db2.gz VQOKWDZFKPEHRG-BGYRXZFFSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001283343527 1319578232 /nfs/dbraw/zinc/57/82/32/1319578232.db2.gz GWNDLPUIWKMVFD-LJQANCHMSA-N 2 0 329.488 2.788 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001284056567 1320169481 /nfs/dbraw/zinc/16/94/81/1320169481.db2.gz 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C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCCCC)CC1 ZINC001324387337 1329622917 /nfs/dbraw/zinc/62/29/17/1329622917.db2.gz SWNPAFREFIRPRM-HXUWFJFHSA-N 2 0 347.547 2.976 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC=C(C)C)CC1 ZINC001324396905 1329623679 /nfs/dbraw/zinc/62/36/79/1329623679.db2.gz JWVVHADFSJCEHO-VQTJNVASSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001324414366 1329624850 /nfs/dbraw/zinc/62/48/50/1329624850.db2.gz WSYDDTVKAWDFCY-OALUTQOASA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001324558176 1329639562 /nfs/dbraw/zinc/63/95/62/1329639562.db2.gz YRGHVEIGYYOQAO-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001324976554 1329664819 /nfs/dbraw/zinc/66/48/19/1329664819.db2.gz MRAJQYBMCDEJJS-NRFANRHFSA-N 2 0 345.531 2.516 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C 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/nfs/dbraw/zinc/75/99/38/1329759938.db2.gz XJYSZCZMVWQUDU-IRXDYDNUSA-N 2 0 329.488 2.871 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001326555774 1330317266 /nfs/dbraw/zinc/31/72/66/1330317266.db2.gz ZXWOLUQGRGONMH-IHPCNDPISA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001326821257 1330369055 /nfs/dbraw/zinc/36/90/55/1330369055.db2.gz BHTYELCXKPPASP-KRWDZBQOSA-N 2 0 333.520 2.846 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001326834185 1330370921 /nfs/dbraw/zinc/37/09/21/1330370921.db2.gz GZFWQSLFEIASOX-IBGZPJMESA-N 2 0 345.531 2.683 10 30 EFEERP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001327299365 1330454270 /nfs/dbraw/zinc/45/42/70/1330454270.db2.gz NGVJIRKUPACCFL-KDURUIRLSA-N 2 0 331.504 2.502 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300055 1330454976 /nfs/dbraw/zinc/45/49/76/1330454976.db2.gz SMSBEWPIYXMDCF-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001327307452 1330457136 /nfs/dbraw/zinc/45/71/36/1330457136.db2.gz CZEGYZNBAWEKPW-RBUKOAKNSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001327468708 1330483208 /nfs/dbraw/zinc/48/32/08/1330483208.db2.gz XNBPVZXCRTVBIK-LJQANCHMSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001327886748 1330526971 /nfs/dbraw/zinc/52/69/71/1330526971.db2.gz UYXYHVRJWSGZDX-FXAWDEMLSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001328586427 1330604991 /nfs/dbraw/zinc/60/49/91/1330604991.db2.gz BNPQEUJCSYTIIC-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001328686282 1330615703 /nfs/dbraw/zinc/61/57/03/1330615703.db2.gz FFQASDRWKOLIDA-HSALFYBXSA-N 2 0 341.499 2.809 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328687145 1330616129 /nfs/dbraw/zinc/61/61/29/1330616129.db2.gz YTOVQLRHKSDJBB-AQNXPRMDSA-N 2 0 343.515 2.911 10 30 EFEERP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001328694852 1330616925 /nfs/dbraw/zinc/61/69/25/1330616925.db2.gz XGADOLDEMDTWSY-TZIWHRDSSA-N 2 0 341.499 2.810 10 30 EFEERP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328811324 1330636541 /nfs/dbraw/zinc/63/65/41/1330636541.db2.gz ALJBACYVCTZXNB-UXHICEINSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328811326 1330637022 /nfs/dbraw/zinc/63/70/22/1330637022.db2.gz ALJBACYVCTZXNB-WOJBJXKFSA-N 2 0 347.547 2.855 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329167117 1330675448 /nfs/dbraw/zinc/67/54/48/1330675448.db2.gz JXBKDKAMXVQCTR-CVEARBPZSA-N 2 0 349.906 2.516 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329167118 1330675484 /nfs/dbraw/zinc/67/54/84/1330675484.db2.gz JXBKDKAMXVQCTR-HOTGVXAUSA-N 2 0 349.906 2.516 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001329762286 1330734430 /nfs/dbraw/zinc/73/44/30/1330734430.db2.gz WNDDXVHFKBLKST-HXUWFJFHSA-N 2 0 347.547 2.594 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001329761615 1330734597 /nfs/dbraw/zinc/73/45/97/1330734597.db2.gz NAHDWYNJSGCVOY-RBUKOAKNSA-N 2 0 335.536 2.737 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001329836913 1330741938 /nfs/dbraw/zinc/74/19/38/1330741938.db2.gz CQGMOEBCONQIJP-UHFFFAOYSA-N 2 0 347.547 2.931 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001329860139 1330743417 /nfs/dbraw/zinc/74/34/17/1330743417.db2.gz CKDQCPPDMLQNFD-UHFFFAOYSA-N 2 0 333.520 2.685 10 30 EFEERP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329923460 1330752097 /nfs/dbraw/zinc/75/20/97/1330752097.db2.gz LKNHKVWIEZPSDT-OALUTQOASA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001330013015 1330761362 /nfs/dbraw/zinc/76/13/62/1330761362.db2.gz MMUSRNNEWGZCKK-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001330513878 1330763860 /nfs/dbraw/zinc/76/38/60/1330763860.db2.gz FKRFHIBZRBMJRT-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001330657637 1330764336 /nfs/dbraw/zinc/76/43/36/1330764336.db2.gz ZWMHZIQSBFCPCL-BXWFABGCSA-N 2 0 339.499 2.650 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001331038486 1330786854 /nfs/dbraw/zinc/78/68/54/1330786854.db2.gz HHJMNBWLNSMHOO-BZSNNMDCSA-N 2 0 335.536 2.994 10 30 EFEERP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001331039342 1330787270 /nfs/dbraw/zinc/78/72/70/1330787270.db2.gz PWCZEPSKLPMVPX-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001331361631 1330827908 /nfs/dbraw/zinc/82/79/08/1330827908.db2.gz RLSPFUOOUHUFLH-MOPGFXCFSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001331903316 1330888382 /nfs/dbraw/zinc/88/83/82/1330888382.db2.gz PIGAAJQTVMWVAW-MAUKXSAKSA-N 2 0 326.444 2.802 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCCC)[C@H]2C)CC1 ZINC001331943287 1330895003 /nfs/dbraw/zinc/89/50/03/1330895003.db2.gz HODNEGNTEFOLNG-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001332099851 1330918985 /nfs/dbraw/zinc/91/89/85/1330918985.db2.gz LAWVYCMESNZVLI-WIYYLYMNSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001332110372 1330921278 /nfs/dbraw/zinc/92/12/78/1330921278.db2.gz JGHFSKRGUKZHGB-RXVVDRJESA-N 2 0 345.531 2.942 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001332110371 1330921507 /nfs/dbraw/zinc/92/15/07/1330921507.db2.gz JGHFSKRGUKZHGB-NQIIRXRSSA-N 2 0 345.531 2.942 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001332151489 1330929680 /nfs/dbraw/zinc/92/96/80/1330929680.db2.gz ZCRODJOCAONNNI-CEXWTWQISA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCCC)CC2)CC1 ZINC001332972008 1331056886 /nfs/dbraw/zinc/05/68/86/1331056886.db2.gz HNXILHTXTRGMND-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001333363165 1331125237 /nfs/dbraw/zinc/12/52/37/1331125237.db2.gz AAJYFHIKYYUCSS-RBUKOAKNSA-N 2 0 331.504 2.718 10 30 EFEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001333433448 1331143067 /nfs/dbraw/zinc/14/30/67/1331143067.db2.gz PFDFQVTYITVUJQ-RBUKOAKNSA-N 2 0 333.520 2.821 10 30 EFEERP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001341221423 1332243761 /nfs/dbraw/zinc/24/37/61/1332243761.db2.gz XXONHKCWJHSIKN-IRXDYDNUSA-N 2 0 343.471 2.514 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000848409761 1334710583 /nfs/dbraw/zinc/71/05/83/1334710583.db2.gz CWHQUOCMACMSKJ-SFHVURJKSA-N 2 0 334.508 2.559 10 30 EFEERP C[NH+](C)CCOc1cccc(-c2noc([C@H](N)CCCCC#N)n2)c1 ZINC000848622093 1334815283 /nfs/dbraw/zinc/81/52/83/1334815283.db2.gz RKWDHGPUKLPPDL-MRXNPFEDSA-N 2 0 343.431 2.761 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001366469329 1337612782 /nfs/dbraw/zinc/61/27/82/1337612782.db2.gz GAXQCWWQBFKWKR-GOEBONIOSA-N 2 0 327.900 2.630 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480741830 1337970316 /nfs/dbraw/zinc/97/03/16/1337970316.db2.gz BNJDAMVAZHKERZ-MOPGFXCFSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001368588594 1339535887 /nfs/dbraw/zinc/53/58/87/1339535887.db2.gz CXMFHAUTNTYGHV-UHFFFAOYSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370313519 1340029010 /nfs/dbraw/zinc/02/90/10/1340029010.db2.gz YLPXIOOITSQSOD-INIZCTEOSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001370313525 1340029051 /nfs/dbraw/zinc/02/90/51/1340029051.db2.gz YLPXIOOITSQSOD-MRXNPFEDSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001374178962 1341519190 /nfs/dbraw/zinc/51/91/90/1341519190.db2.gz HKCLUNRSGVXNEN-HUUCEWRRSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001375227149 1342530081 /nfs/dbraw/zinc/53/00/81/1342530081.db2.gz ARZLOXOCXRHLRK-IAGOWNOFSA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001375227155 1342530408 /nfs/dbraw/zinc/53/04/08/1342530408.db2.gz ARZLOXOCXRHLRK-SJORKVTESA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001375435226 1342739400 /nfs/dbraw/zinc/73/94/00/1342739400.db2.gz HYBNRRTVWKNVML-UHFFFAOYSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001377030903 1344077035 /nfs/dbraw/zinc/07/70/35/1344077035.db2.gz JEXWSWXYOBYMBJ-IRXDYDNUSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001377774409 1344423038 /nfs/dbraw/zinc/42/30/38/1344423038.db2.gz XOCSCDBOXJYJTB-JKSUJKDBSA-N 2 0 329.916 2.640 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C ZINC001382541962 1349007793 /nfs/dbraw/zinc/00/77/93/1349007793.db2.gz SDGBXOQWIDLDFZ-SFHVURJKSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001394194870 1357576221 /nfs/dbraw/zinc/57/62/21/1357576221.db2.gz XUPQLAHJNKPELM-ULQDDVLXSA-N 2 0 343.943 2.932 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001392962544 1356469345 /nfs/dbraw/zinc/46/93/45/1356469345.db2.gz OLKAOHLPJFSXNV-IAGOWNOFSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001394381476 1357752968 /nfs/dbraw/zinc/75/29/68/1357752968.db2.gz HKZDMNZBVPMDSN-JCNLHEQBSA-N 2 0 335.879 2.599 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001394449557 1357830489 /nfs/dbraw/zinc/83/04/89/1357830489.db2.gz MPQGQNFOBCLHJN-DOTOQJQBSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001398752275 1360762804 /nfs/dbraw/zinc/76/28/04/1360762804.db2.gz BXHFPCSMKYUQAC-SJORKVTESA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001401179668 1362514071 /nfs/dbraw/zinc/51/40/71/1362514071.db2.gz JGUCPQQOHZNAHC-HNNXBMFYSA-N 2 0 327.900 2.632 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001401249853 1362589663 /nfs/dbraw/zinc/58/96/63/1362589663.db2.gz BZCHGVSLJZCSLB-RDJZCZTQSA-N 2 0 337.895 2.868 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001437371400 1387586599 /nfs/dbraw/zinc/58/65/99/1387586599.db2.gz KJVISRAGOQQZRU-HZPDHXFCSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001402105321 1363412940 /nfs/dbraw/zinc/41/29/40/1363412940.db2.gz IXTNPJDRBDHYSL-SFHVURJKSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001402319007 1363603443 /nfs/dbraw/zinc/60/34/43/1363603443.db2.gz UGIBUQFAVFANNM-SJORKVTESA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001402318997 1363603593 /nfs/dbraw/zinc/60/35/93/1363603593.db2.gz UGIBUQFAVFANNM-IAGOWNOFSA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001402950224 1364156888 /nfs/dbraw/zinc/15/68/88/1364156888.db2.gz YMBSMAKWJDEHHY-IRXDYDNUSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001403240963 1364452810 /nfs/dbraw/zinc/45/28/10/1364452810.db2.gz BUQIQABBSNTELZ-WMZOPIPTSA-N 2 0 349.906 2.870 10 30 EFEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001403428401 1364632256 /nfs/dbraw/zinc/63/22/56/1364632256.db2.gz ZHBRANSUKWUXNG-GVDBMIGSSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406087291 1367206616 /nfs/dbraw/zinc/20/66/16/1367206616.db2.gz WAICTXDUUIWMMB-CVEARBPZSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001407555470 1368981327 /nfs/dbraw/zinc/98/13/27/1368981327.db2.gz ZPNURMWVVATUGO-KSSFIOAISA-N 2 0 349.906 2.798 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001408108269 1369613502 /nfs/dbraw/zinc/61/35/02/1369613502.db2.gz IOKBGSGDXTVPAV-OAHLLOKOSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001417814156 1373285567 /nfs/dbraw/zinc/28/55/67/1373285567.db2.gz QBCVEMIKFQKNBF-MRXNPFEDSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001418186701 1373751026 /nfs/dbraw/zinc/75/10/26/1373751026.db2.gz IPGMAKJWZNSYSM-UYSNPLJNSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001419615713 1375546968 /nfs/dbraw/zinc/54/69/68/1375546968.db2.gz FPZCKIDWJRUWQV-IAGOWNOFSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001419769069 1375844561 /nfs/dbraw/zinc/84/45/61/1375844561.db2.gz QANKZVWVEOPQQS-CVEARBPZSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCCC1 ZINC001419789403 1375879505 /nfs/dbraw/zinc/87/95/05/1375879505.db2.gz FIQVREOKKUVJKT-JKSUJKDBSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001420928642 1377893238 /nfs/dbraw/zinc/89/32/38/1377893238.db2.gz HPZAIKXHYOIEFA-SJORKVTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422015586 1379485578 /nfs/dbraw/zinc/48/55/78/1379485578.db2.gz TVUBUTYXJRAYKV-JYJNAYRXSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001423486461 1381978118 /nfs/dbraw/zinc/97/81/18/1381978118.db2.gz RFZOAXFUUWILMB-PBHICJAKSA-N 2 0 345.890 2.532 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278636 1382917068 /nfs/dbraw/zinc/91/70/68/1382917068.db2.gz KUXILARRDWBRII-SJORKVTESA-N 2 0 341.927 2.830 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001506796262 1406284941 /nfs/dbraw/zinc/28/49/41/1406284941.db2.gz QNOURAAHCTWOIK-MKXGPGLRSA-N 2 0 345.531 2.511 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439414543 1389271001 /nfs/dbraw/zinc/27/10/01/1389271001.db2.gz BMEPVUDVJOLFCO-JKSUJKDBSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001440889609 1389981259 /nfs/dbraw/zinc/98/12/59/1389981259.db2.gz PRPYHRMSYZRQJW-GASCZTMLSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001506907782 1406425183 /nfs/dbraw/zinc/42/51/83/1406425183.db2.gz XLOQABIAWJQUOP-UAPYVXQJSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001506930639 1406457622 /nfs/dbraw/zinc/45/76/22/1406457622.db2.gz WCWXVSWGSJPRAB-ZDUSSCGKSA-N 2 0 334.851 2.883 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001441406545 1391286996 /nfs/dbraw/zinc/28/69/96/1391286996.db2.gz YTKLIZTZXIKMLO-CVEARBPZSA-N 2 0 329.916 2.732 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001506978579 1406539200 /nfs/dbraw/zinc/53/92/00/1406539200.db2.gz ADJIYBJOVJLSNI-VQTJNVASSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001448217914 1392025111 /nfs/dbraw/zinc/02/51/11/1392025111.db2.gz PAPZIGHZOOQZSN-ZBFHGGJFSA-N 2 0 329.916 2.543 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001506979236 1406540059 /nfs/dbraw/zinc/54/00/59/1406540059.db2.gz CTQWDIQUPYWTLZ-MOPGFXCFSA-N 2 0 329.488 2.884 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001507289112 1406853554 /nfs/dbraw/zinc/85/35/54/1406853554.db2.gz QIUBAHPDYFPHKK-FXAWDEMLSA-N 2 0 343.515 2.950 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001507336941 1406905150 /nfs/dbraw/zinc/90/51/50/1406905150.db2.gz BFTSWNDVLVVEHA-CVEARBPZSA-N 2 0 333.476 2.890 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479524368 1397750774 /nfs/dbraw/zinc/75/07/74/1397750774.db2.gz QDXWOQUBQVTQTM-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001479744645 1397801096 /nfs/dbraw/zinc/80/10/96/1397801096.db2.gz GUQSJVUVEPGACZ-HNNXBMFYSA-N 2 0 341.927 2.688 10 30 EFEERP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCCCCC)CCC[C@H]12 ZINC001507350430 1406929579 /nfs/dbraw/zinc/92/95/79/1406929579.db2.gz NOPJYPQJBNVJQL-ICSRJNTNSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479988386 1398072822 /nfs/dbraw/zinc/07/28/22/1398072822.db2.gz PAILSVHKTPWWNF-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001479988377 1398073504 /nfs/dbraw/zinc/07/35/04/1398073504.db2.gz JPCCCSAHOLOYDH-SFHVURJKSA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001479994188 1398080100 /nfs/dbraw/zinc/08/01/00/1398080100.db2.gz GHROXRXIZHLHKK-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480089257 1398124662 /nfs/dbraw/zinc/12/46/62/1398124662.db2.gz RIROMEFXLXTXTM-LJQANCHMSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480665962 1398272166 /nfs/dbraw/zinc/27/21/66/1398272166.db2.gz QKZVQPFCQKOTBI-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001480679659 1398279300 /nfs/dbraw/zinc/27/93/00/1398279300.db2.gz BPWAKLGTFIOJKL-GOSISDBHSA-N 2 0 347.547 2.596 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480831985 1398345218 /nfs/dbraw/zinc/34/52/18/1398345218.db2.gz PCXPLRQZXSJKLN-HXUWFJFHSA-N 2 0 341.499 2.746 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001493266343 1398574396 /nfs/dbraw/zinc/57/43/96/1398574396.db2.gz FGHHZWZSLBRAMR-LIXSYLKWSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001493267003 1398574708 /nfs/dbraw/zinc/57/47/08/1398574708.db2.gz LZTNIUMQCJNTAF-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001507375291 1406973940 /nfs/dbraw/zinc/97/39/40/1406973940.db2.gz LXWHDRSVLVUSBT-WMZOPIPTSA-N 2 0 333.520 2.632 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001507375289 1406974359 /nfs/dbraw/zinc/97/43/59/1406974359.db2.gz LXWHDRSVLVUSBT-FUHWJXTLSA-N 2 0 333.520 2.632 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001493838340 1398913692 /nfs/dbraw/zinc/91/36/92/1398913692.db2.gz YEUNNIXDEGJRFV-GOSISDBHSA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001493841450 1398916795 /nfs/dbraw/zinc/91/67/95/1398916795.db2.gz SVTCUPZELKCUJA-QGZVFWFLSA-N 2 0 341.499 2.602 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001493979379 1399033228 /nfs/dbraw/zinc/03/32/28/1399033228.db2.gz XSNOTARRKIYOKJ-HXUWFJFHSA-N 2 0 341.499 2.698 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494154620 1399172307 /nfs/dbraw/zinc/17/23/07/1399172307.db2.gz PJOVRYQRXIKRNW-MJGOQNOKSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494319775 1399278764 /nfs/dbraw/zinc/27/87/64/1399278764.db2.gz TXQSFLODMQGGEO-PKOBYXMFSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426794 1407040886 /nfs/dbraw/zinc/04/08/86/1407040886.db2.gz HDXXVQUGIVXGCN-VQIMIIECSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001507444158 1407060757 /nfs/dbraw/zinc/06/07/57/1407060757.db2.gz WWJMBVRNVSOZBD-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCC(C)C)CC2)CC1 ZINC001495443403 1399982768 /nfs/dbraw/zinc/98/27/68/1399982768.db2.gz DIPVTJYPAILLFW-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001495464094 1400002763 /nfs/dbraw/zinc/00/27/63/1400002763.db2.gz DWWWXAOKJGZNEF-QWFCFKBJSA-N 2 0 345.531 2.824 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC/C=C\CC)C(C)(C)C2)CC1 ZINC001507454539 1407073318 /nfs/dbraw/zinc/07/33/18/1407073318.db2.gz XMPHSCPDYCMXHA-QULHZPMSSA-N 2 0 345.531 2.515 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001495495756 1400029262 /nfs/dbraw/zinc/02/92/62/1400029262.db2.gz GZICOZHMXBRDCJ-LJQANCHMSA-N 2 0 329.488 2.841 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001495498222 1400031621 /nfs/dbraw/zinc/03/16/21/1400031621.db2.gz QKPMGLOTBYQJCX-NRFANRHFSA-N 2 0 341.499 2.845 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001495598824 1400106454 /nfs/dbraw/zinc/10/64/54/1400106454.db2.gz LGZCJFGOZRWQDV-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001495598825 1400106948 /nfs/dbraw/zinc/10/69/48/1400106948.db2.gz LGZCJFGOZRWQDV-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001495974441 1400392159 /nfs/dbraw/zinc/39/21/59/1400392159.db2.gz SDPGYYPQEZMCGH-QGZVFWFLSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001496080259 1400458552 /nfs/dbraw/zinc/45/85/52/1400458552.db2.gz LPUFDVLZULBTSJ-HOCLYGCPSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001496080252 1400459097 /nfs/dbraw/zinc/45/90/97/1400459097.db2.gz LPUFDVLZULBTSJ-GDBMZVCRSA-N 2 0 327.900 2.582 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CCCCC1 ZINC001496325234 1400641568 /nfs/dbraw/zinc/64/15/68/1400641568.db2.gz HNDQCOVSWXJCTP-LJQANCHMSA-N 2 0 333.520 2.540 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(=C)C)C2CCCCC2)CC1 ZINC001496328097 1400643201 /nfs/dbraw/zinc/64/32/01/1400643201.db2.gz WWESIVREGMOEOW-FQEVSTJZSA-N 2 0 345.531 2.562 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C\CC)[C@H](C)C2)CC1 ZINC001496369781 1400679651 /nfs/dbraw/zinc/67/96/51/1400679651.db2.gz LJLMZPJHRKTYFD-QRMWTIMZSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001496501259 1400776325 /nfs/dbraw/zinc/77/63/25/1400776325.db2.gz IVTKBTFTCGPSSQ-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001496924762 1401105257 /nfs/dbraw/zinc/10/52/57/1401105257.db2.gz RHYNPGRRPZVCDS-RTBURBONSA-N 2 0 329.488 2.569 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001507939184 1407217487 /nfs/dbraw/zinc/21/74/87/1407217487.db2.gz NPAOTKXSFRUYIX-HKUYNNGSSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001498506571 1402152003 /nfs/dbraw/zinc/15/20/03/1402152003.db2.gz ZFWGMEFWPBQSKC-VQTJNVASSA-N 2 0 347.547 2.786 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCC(C)C)CC1 ZINC001508059664 1407270500 /nfs/dbraw/zinc/27/05/00/1407270500.db2.gz ROQXIGRUFZAKCC-QUCCMNQESA-N 2 0 347.547 2.737 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001499515164 1402652758 /nfs/dbraw/zinc/65/27/58/1402652758.db2.gz QFQJLBFVNGMQDQ-QRVBRYPASA-N 2 0 335.536 2.974 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001499526273 1402661897 /nfs/dbraw/zinc/66/18/97/1402661897.db2.gz QYLDDFUBRLMFBV-HXUWFJFHSA-N 2 0 345.531 2.586 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001499595964 1402706749 /nfs/dbraw/zinc/70/67/49/1402706749.db2.gz CJEMCYGZTQPMEU-AZUAARDMSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001499852696 1402819996 /nfs/dbraw/zinc/81/99/96/1402819996.db2.gz JEJDHHCJKVFTNT-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001499852698 1402820028 /nfs/dbraw/zinc/82/00/28/1402820028.db2.gz JEJDHHCJKVFTNT-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001500116611 1402944340 /nfs/dbraw/zinc/94/43/40/1402944340.db2.gz GEABJXLBUWQIOR-LJQANCHMSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500372293 1403080709 /nfs/dbraw/zinc/08/07/09/1403080709.db2.gz LBUPVZFLTVWKPM-FPOVZHCZSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001500512515 1403184875 /nfs/dbraw/zinc/18/48/75/1403184875.db2.gz ZGFSSGLDBPKPPO-LJQANCHMSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001500610873 1403244105 /nfs/dbraw/zinc/24/41/05/1403244105.db2.gz INCLJCNKTALOJF-OAHLLOKOSA-N 2 0 343.462 2.510 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCCC)CC1 ZINC001501407334 1403592523 /nfs/dbraw/zinc/59/25/23/1403592523.db2.gz BKJYSFCOWZGSBA-UXHICEINSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001501651399 1403669109 /nfs/dbraw/zinc/66/91/09/1403669109.db2.gz ONQLYDOHVOXXKX-QGZVFWFLSA-N 2 0 341.927 2.833 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001501676202 1403705858 /nfs/dbraw/zinc/70/58/58/1403705858.db2.gz IOQDTDMIUWNODU-OAHLLOKOSA-N 2 0 346.434 2.857 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H]1C ZINC001502741297 1404318965 /nfs/dbraw/zinc/31/89/65/1404318965.db2.gz CCVSYOFGASZVEY-QUCCMNQESA-N 2 0 343.515 2.564 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001502987264 1404451103 /nfs/dbraw/zinc/45/11/03/1404451103.db2.gz LTSGZIRVWCZQRV-QUCCMNQESA-N 2 0 343.515 2.706 10 30 EFEERP C[C@@H](CCNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001503452806 1404484406 /nfs/dbraw/zinc/48/44/06/1404484406.db2.gz SZMXTCXSNPROGW-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C=CC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001503763441 1404506857 /nfs/dbraw/zinc/50/68/57/1404506857.db2.gz AESMIZOWIHUMQH-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001505431540 1404594789 /nfs/dbraw/zinc/59/47/89/1404594789.db2.gz XODPVWHYZJSVOM-QUCCMNQESA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001505473159 1404709531 /nfs/dbraw/zinc/70/95/31/1404709531.db2.gz PYOKCHSVQPBTST-PMACEKPBSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001725777624 1425842305 /nfs/dbraw/zinc/84/23/05/1425842305.db2.gz PLJJYHSEXFVZQZ-CTWPCTMYSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001506491024 1405844822 /nfs/dbraw/zinc/84/48/22/1405844822.db2.gz RRLZBOMMKZMDRB-OALUTQOASA-N 2 0 335.536 2.594 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506576229 1405992781 /nfs/dbraw/zinc/99/27/81/1405992781.db2.gz RLIXAZFKVVSDBA-OALUTQOASA-N 2 0 333.520 2.635 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001565938746 1415456980 /nfs/dbraw/zinc/45/69/80/1415456980.db2.gz LNKLOEWSCHCORZ-GDBMZVCRSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001565938749 1415457268 /nfs/dbraw/zinc/45/72/68/1415457268.db2.gz LNKLOEWSCHCORZ-ZBFHGGJFSA-N 2 0 341.927 2.688 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001566054264 1415494506 /nfs/dbraw/zinc/49/45/06/1415494506.db2.gz UFSCREUSVLJQDF-QRVBRYPASA-N 2 0 335.536 2.689 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001566121445 1415520136 /nfs/dbraw/zinc/52/01/36/1415520136.db2.gz IJWNDACPGXDFMU-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001566612819 1415695503 /nfs/dbraw/zinc/69/55/03/1415695503.db2.gz JSEJLKCWWFSBLN-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566742557 1415756304 /nfs/dbraw/zinc/75/63/04/1415756304.db2.gz YIRMLPWUCQBVGO-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566962970 1415876583 /nfs/dbraw/zinc/87/65/83/1415876583.db2.gz OHCOVGDHSKSAHS-MSOLQXFVSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567230539 1416004116 /nfs/dbraw/zinc/00/41/16/1416004116.db2.gz KIQKNUWCQYNMOA-CRAIPNDOSA-N 2 0 327.488 2.650 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001567240558 1416007685 /nfs/dbraw/zinc/00/76/85/1416007685.db2.gz KSMVOKBBUQZCHI-GOSISDBHSA-N 2 0 345.531 2.707 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001567255746 1416026758 /nfs/dbraw/zinc/02/67/58/1416026758.db2.gz XCMAEDDCQJCLOJ-QUCCMNQESA-N 2 0 345.531 2.778 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001567265413 1416044276 /nfs/dbraw/zinc/04/42/76/1416044276.db2.gz WRBXJLGYXHKPTI-IBGZPJMESA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567265934 1416044334 /nfs/dbraw/zinc/04/43/34/1416044334.db2.gz DTAGIENWVKCLRE-PMACEKPBSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001567633940 1416219220 /nfs/dbraw/zinc/21/92/20/1416219220.db2.gz PYXQZOBCYLFCEQ-INIZCTEOSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001568056570 1416382551 /nfs/dbraw/zinc/38/25/51/1416382551.db2.gz GHUMULWSCGJZBO-HKUYNNGSSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001568061920 1416386686 /nfs/dbraw/zinc/38/66/86/1416386686.db2.gz QZYDCEUIAKWDII-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001568089436 1416404756 /nfs/dbraw/zinc/40/47/56/1416404756.db2.gz XXMUYMMBMXMCLT-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001568110927 1416413847 /nfs/dbraw/zinc/41/38/47/1416413847.db2.gz WQKGLCVTNMLDKM-BJLQDIEVSA-N 2 0 345.531 2.824 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001568131354 1416421426 /nfs/dbraw/zinc/42/14/26/1416421426.db2.gz BTBKMYGFLLFFGC-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001568159100 1416429479 /nfs/dbraw/zinc/42/94/79/1416429479.db2.gz XRQAKEHQNIBJHV-GOSISDBHSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001568235373 1416450487 /nfs/dbraw/zinc/45/04/87/1416450487.db2.gz MTZILGPLVVUTLO-AEFFLSMTSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001568253464 1416456276 /nfs/dbraw/zinc/45/62/76/1416456276.db2.gz FQNFDWDTRZCFAP-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001568252833 1416456451 /nfs/dbraw/zinc/45/64/51/1416456451.db2.gz REDXXKHKMFZRAN-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001568339176 1416481646 /nfs/dbraw/zinc/48/16/46/1416481646.db2.gz PCZNCKHLGMHCHC-RBUKOAKNSA-N 2 0 335.536 2.641 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001568348845 1416486114 /nfs/dbraw/zinc/48/61/14/1416486114.db2.gz KLVBOKHSUXXLGX-HKUYNNGSSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568387176 1416507340 /nfs/dbraw/zinc/50/73/40/1416507340.db2.gz RDZBLDYCIJVCKB-SJORKVTESA-N 2 0 341.927 2.974 10 30 EFEERP C=CCC[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001691752081 1416665847 /nfs/dbraw/zinc/66/58/47/1416665847.db2.gz YNFINQZQGCSVBC-IBGZPJMESA-N 2 0 341.515 2.992 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001690028948 1417138854 /nfs/dbraw/zinc/13/88/54/1417138854.db2.gz NOXMOGGROBMKDK-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001690155712 1417165912 /nfs/dbraw/zinc/16/59/12/1417165912.db2.gz GALQHWVCOJBLHK-FUHWJXTLSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001690356621 1417195473 /nfs/dbraw/zinc/19/54/73/1417195473.db2.gz PHMSNZSCMDOPKL-YIOZNXECSA-N 2 0 339.499 2.790 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690409983 1417211618 /nfs/dbraw/zinc/21/16/18/1417211618.db2.gz XOSBFILGWGVRJK-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001690639590 1417223281 /nfs/dbraw/zinc/22/32/81/1417223281.db2.gz AROBRMQOMMJBBK-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691938143 1417251067 /nfs/dbraw/zinc/25/10/67/1417251067.db2.gz HXCWPYNQRGJWGH-UHOSZYNNSA-N 2 0 329.488 2.740 10 30 EFEERP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001692257475 1417269629 /nfs/dbraw/zinc/26/96/29/1417269629.db2.gz FOXZPMXAWSKHRY-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698940554 1417351319 /nfs/dbraw/zinc/35/13/19/1417351319.db2.gz UGNCOFSXZLOHLR-QFBILLFUSA-N 2 0 329.488 2.765 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698940551 1417351582 /nfs/dbraw/zinc/35/15/82/1417351582.db2.gz UGNCOFSXZLOHLR-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001698952583 1417355636 /nfs/dbraw/zinc/35/56/36/1417355636.db2.gz LJPMCMZNARGMJG-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001699008394 1417366439 /nfs/dbraw/zinc/36/64/39/1417366439.db2.gz IUBOGVXFAOFGHV-MSOLQXFVSA-N 2 0 331.504 2.504 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034565 1417378358 /nfs/dbraw/zinc/37/83/58/1417378358.db2.gz OJIVJVCWUDTBFY-MOPGFXCFSA-N 2 0 333.520 2.559 10 30 EFEERP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001699696025 1417457123 /nfs/dbraw/zinc/45/71/23/1417457123.db2.gz YBXBTNLSBZJNFO-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001699782075 1417467833 /nfs/dbraw/zinc/46/78/33/1417467833.db2.gz IDHMORLPRGCOMB-HXUWFJFHSA-N 2 0 345.531 2.752 10 30 EFEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699866451 1417485497 /nfs/dbraw/zinc/48/54/97/1417485497.db2.gz ZZMPPRCFCLAUMY-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001699930358 1417511145 /nfs/dbraw/zinc/51/11/45/1417511145.db2.gz KNGVTCPUHLYDFF-HXUWFJFHSA-N 2 0 343.515 2.914 10 30 EFEERP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001699930923 1417511711 /nfs/dbraw/zinc/51/17/11/1417511711.db2.gz AVXJLQBSOGBNFJ-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001699945611 1417518283 /nfs/dbraw/zinc/51/82/83/1417518283.db2.gz UTHJOLISYOANAG-FXAWDEMLSA-N 2 0 343.515 2.807 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001699980171 1417535555 /nfs/dbraw/zinc/53/55/55/1417535555.db2.gz WUZBSODGUNGTNR-LWYYNNOASA-N 2 0 345.531 2.539 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001699991182 1417539615 /nfs/dbraw/zinc/53/96/15/1417539615.db2.gz CBVOXEKAXDPDQV-BGYRXZFFSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001700634424 1417593454 /nfs/dbraw/zinc/59/34/54/1417593454.db2.gz SNLKQXTUABNFKE-WKILWMFISA-N 2 0 326.444 2.707 10 30 EFEERP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001700708923 1417624316 /nfs/dbraw/zinc/62/43/16/1417624316.db2.gz ABOTWJXJFIGJEU-MISYRCLQSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709779 1417625543 /nfs/dbraw/zinc/62/55/43/1417625543.db2.gz VTMKNFCVWODEPW-ROUUACIJSA-N 2 0 349.906 2.918 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713144595 1418336153 /nfs/dbraw/zinc/33/61/53/1418336153.db2.gz UZEGCQDHYWPVDL-HCXYKTFWSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713144596 1418336268 /nfs/dbraw/zinc/33/62/68/1418336268.db2.gz UZEGCQDHYWPVDL-MKXGPGLRSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001713184288 1418363904 /nfs/dbraw/zinc/36/39/04/1418363904.db2.gz DAKJBRJMTSNLCQ-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001713184290 1418364038 /nfs/dbraw/zinc/36/40/38/1418364038.db2.gz DAKJBRJMTSNLCQ-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713242871 1418411394 /nfs/dbraw/zinc/41/13/94/1418411394.db2.gz VTPNUJADNUBNIH-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278686 1418448289 /nfs/dbraw/zinc/44/82/89/1418448289.db2.gz HDJPCKKXFQUUFZ-AZUAARDMSA-N 2 0 345.531 2.515 10 30 EFEERP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001713289446 1418456295 /nfs/dbraw/zinc/45/62/95/1418456295.db2.gz WQKGLCVTNMLDKM-QLOJAFMTSA-N 2 0 345.531 2.824 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001713417266 1418516301 /nfs/dbraw/zinc/51/63/01/1418516301.db2.gz LKPPRZAPKJDHAJ-RLLQIKCJSA-N 2 0 343.515 2.782 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001714138787 1418584065 /nfs/dbraw/zinc/58/40/65/1418584065.db2.gz VNBBOLRXUXCVGU-VQTJNVASSA-N 2 0 341.499 2.673 10 30 EFEERP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001714327335 1418601641 /nfs/dbraw/zinc/60/16/41/1418601641.db2.gz TUESYXZNACGLJO-FQEVSTJZSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714642804 1418611590 /nfs/dbraw/zinc/61/15/90/1418611590.db2.gz GGAKXMXFKKIQEW-GOSISDBHSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714642806 1418611692 /nfs/dbraw/zinc/61/16/92/1418611692.db2.gz GGAKXMXFKKIQEW-SFHVURJKSA-N 2 0 329.488 2.766 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@@H](C)C2)CC1 ZINC001715096001 1418651344 /nfs/dbraw/zinc/65/13/44/1418651344.db2.gz ZBIGNJPSXNCRTG-PXNSSMCTSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716294122 1418755727 /nfs/dbraw/zinc/75/57/27/1418755727.db2.gz QFCPPKDGNGJMJS-DKFQHHCZSA-N 2 0 333.520 2.869 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716706533 1418965750 /nfs/dbraw/zinc/96/57/50/1418965750.db2.gz QUMOAPIKABLVGG-MOPGFXCFSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001716708483 1418966678 /nfs/dbraw/zinc/96/66/78/1418966678.db2.gz HMGDUCJGBWQPIY-QBUWPKIASA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001716712190 1418968114 /nfs/dbraw/zinc/96/81/14/1418968114.db2.gz ZQEOUMCBEGVFRA-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C2)CC1 ZINC001716727587 1418977857 /nfs/dbraw/zinc/97/78/57/1418977857.db2.gz FOSSVVCSUYLTAK-NRFANRHFSA-N 2 0 345.531 2.753 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001716730707 1418980425 /nfs/dbraw/zinc/98/04/25/1418980425.db2.gz FUJLILQJNLVYFI-CTNGQTDRSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716749495 1418990479 /nfs/dbraw/zinc/99/04/79/1418990479.db2.gz GLFRZGVQOPKESO-INIZCTEOSA-N 2 0 329.488 2.859 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716787552 1419008412 /nfs/dbraw/zinc/00/84/12/1419008412.db2.gz CSLZFOBSHBTKKQ-IBGZPJMESA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812885 1419026007 /nfs/dbraw/zinc/02/60/07/1419026007.db2.gz UKDCUQSFGUSYHZ-LAUBAEHRSA-N 2 0 349.478 2.562 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001716829825 1419037447 /nfs/dbraw/zinc/03/74/47/1419037447.db2.gz DEWNJTZDFDVJIP-SBHAEUEKSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001716830398 1419038054 /nfs/dbraw/zinc/03/80/54/1419038054.db2.gz OLQCATBNKSLJIQ-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001716885459 1419074574 /nfs/dbraw/zinc/07/45/74/1419074574.db2.gz QTCKMJSHZDGNNA-UHFFFAOYSA-N 2 0 333.520 2.657 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901120 1419086356 /nfs/dbraw/zinc/08/63/56/1419086356.db2.gz BIJNFLQDPQUAOS-IEBWSBKVSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001716903146 1419088731 /nfs/dbraw/zinc/08/87/31/1419088731.db2.gz XXWRYAZLFPCFKD-WIYYLYMNSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001716910162 1419091980 /nfs/dbraw/zinc/09/19/80/1419091980.db2.gz DADFMPPYFMVZEZ-CVEARBPZSA-N 2 0 343.462 2.510 10 30 EFEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001716998236 1419133821 /nfs/dbraw/zinc/13/38/21/1419133821.db2.gz MZWWQULJONKZRM-GSEOLPGOSA-N 2 0 345.531 2.654 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717005734 1419141694 /nfs/dbraw/zinc/14/16/94/1419141694.db2.gz MNYIVCNCWMUXIT-FQEVSTJZSA-N 2 0 341.499 2.503 10 30 EFEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001717005550 1419141823 /nfs/dbraw/zinc/14/18/23/1419141823.db2.gz FKDHCPWPQNBGOL-UHFFFAOYSA-N 2 0 346.434 2.508 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001717011425 1419146709 /nfs/dbraw/zinc/14/67/09/1419146709.db2.gz PHGFYTXVHITUIM-CEXWTWQISA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001717042301 1419176801 /nfs/dbraw/zinc/17/68/01/1419176801.db2.gz NJIZQENAWXTUHQ-YSIASYRMSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717089070 1419199599 /nfs/dbraw/zinc/19/95/99/1419199599.db2.gz JDFGXDPMTMHJKD-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717101779 1419208616 /nfs/dbraw/zinc/20/86/16/1419208616.db2.gz SUWCWDLAWITDTR-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111229 1419215860 /nfs/dbraw/zinc/21/58/60/1419215860.db2.gz NWMVSCFAPSVIHB-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001717117409 1419221362 /nfs/dbraw/zinc/22/13/62/1419221362.db2.gz RQPXCSOKJWXBFD-QZTJIDSGSA-N 2 0 341.499 2.631 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001717129009 1419227780 /nfs/dbraw/zinc/22/77/80/1419227780.db2.gz VYVVVZDPDCAVIQ-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001717128542 1419227802 /nfs/dbraw/zinc/22/78/02/1419227802.db2.gz DNVSVTVNKQQBFY-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[N@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001717143654 1419234916 /nfs/dbraw/zinc/23/49/16/1419234916.db2.gz RMVDFZXGGUKZQR-UHFFFAOYSA-N 2 0 343.515 2.969 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCn3ccnc3)C2)C1 ZINC001717217541 1419270839 /nfs/dbraw/zinc/27/08/39/1419270839.db2.gz SGZPARBUQKIQQC-OALUTQOASA-N 2 0 344.503 2.800 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001717245357 1419288295 /nfs/dbraw/zinc/28/82/95/1419288295.db2.gz RFBABQRRSAHKMV-FQEVSTJZSA-N 2 0 343.515 2.838 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717271107 1419300519 /nfs/dbraw/zinc/30/05/19/1419300519.db2.gz XPGNDNRLQZVBTL-GOSISDBHSA-N 2 0 341.499 2.926 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717297619 1419313141 /nfs/dbraw/zinc/31/31/41/1419313141.db2.gz BLDMSQDLMMIHNS-MSOLQXFVSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001717297693 1419313300 /nfs/dbraw/zinc/31/33/00/1419313300.db2.gz FKUSAOGRBBJROO-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310375 1419322619 /nfs/dbraw/zinc/32/26/19/1419322619.db2.gz GMMSHPGOIPPLTL-IAGOWNOFSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001717340925 1419341932 /nfs/dbraw/zinc/34/19/32/1419341932.db2.gz KBIWPHWZLNLCCR-BJLQDIEVSA-N 2 0 341.499 2.638 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001717344866 1419344810 /nfs/dbraw/zinc/34/48/10/1419344810.db2.gz ZVWFLSUHJAQASO-LJQANCHMSA-N 2 0 329.488 2.618 10 30 EFEERP C#CC[NH+]1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001717348843 1419347905 /nfs/dbraw/zinc/34/79/05/1419347905.db2.gz WQPPHSMMJOEVHS-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717371745 1419364915 /nfs/dbraw/zinc/36/49/15/1419364915.db2.gz VQINVLNLZCQLNE-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717374033 1419366968 /nfs/dbraw/zinc/36/69/68/1419366968.db2.gz QDDUPTRATMCIJN-HXUWFJFHSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001717376915 1419368014 /nfs/dbraw/zinc/36/80/14/1419368014.db2.gz ARHRDCYHPJZKAE-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001717377463 1419369087 /nfs/dbraw/zinc/36/90/87/1419369087.db2.gz CDSUGAXJZPSLJI-UXHICEINSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001717538953 1419434494 /nfs/dbraw/zinc/43/44/94/1419434494.db2.gz WCNSKUZEGQETCI-GOSISDBHSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001717598264 1419463252 /nfs/dbraw/zinc/46/32/52/1419463252.db2.gz AJWTXAIJBCBAAM-LDLYASANSA-N 2 0 347.547 2.759 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001717630291 1419478684 /nfs/dbraw/zinc/47/86/84/1419478684.db2.gz LEVPNCCPBMVUFB-HDICACEKSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001717700721 1419514704 /nfs/dbraw/zinc/51/47/04/1419514704.db2.gz DPQKCRDZKTXXAP-KRWDZBQOSA-N 2 0 327.488 2.555 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001717724850 1419526055 /nfs/dbraw/zinc/52/60/55/1419526055.db2.gz XGMRPSNRHYRPOR-LJQANCHMSA-N 2 0 329.488 2.506 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001717756782 1419537489 /nfs/dbraw/zinc/53/74/89/1419537489.db2.gz IPFNFSIFCVRVRJ-JLAWEPINSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001717845155 1419574465 /nfs/dbraw/zinc/57/44/65/1419574465.db2.gz CUMSRHOKXAMBPU-CEXWTWQISA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001717847821 1419576445 /nfs/dbraw/zinc/57/64/45/1419576445.db2.gz LPQIPNJVRXFBKN-GUDVDZBRSA-N 2 0 345.531 2.798 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001717848882 1419576964 /nfs/dbraw/zinc/57/69/64/1419576964.db2.gz KNCNIAYYBKWTNH-IPMKNSEASA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)C[C@H](C)CC)C(C)C)CC1 ZINC001717952418 1419626773 /nfs/dbraw/zinc/62/67/73/1419626773.db2.gz HKQIOSDRFIYXJS-GOSISDBHSA-N 2 0 335.536 2.547 10 30 EFEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)CN(C)Cc2ccccc2)CC1 ZINC001717980959 1419640798 /nfs/dbraw/zinc/64/07/98/1419640798.db2.gz RXLXETLITHVKJY-QGZVFWFLSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717998374 1419648936 /nfs/dbraw/zinc/64/89/36/1419648936.db2.gz FZHYXZBDQMJNNA-CTWPCTMYSA-N 2 0 329.488 2.835 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001723450969 1424500121 /nfs/dbraw/zinc/50/01/21/1424500121.db2.gz MDEDEPCOUYFNJM-OALUTQOASA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001723515085 1424517353 /nfs/dbraw/zinc/51/73/53/1424517353.db2.gz PEXKBRZKYFDAAR-QGZVFWFLSA-N 2 0 333.520 2.846 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605590 1424529170 /nfs/dbraw/zinc/52/91/70/1424529170.db2.gz AFVCEKNABRTJKI-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001723608893 1424534180 /nfs/dbraw/zinc/53/41/80/1424534180.db2.gz SQRRVWUMZXSBRD-MOPGFXCFSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609716 1424535129 /nfs/dbraw/zinc/53/51/29/1424535129.db2.gz WGKJMARVSAJVAF-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001723699219 1424560773 /nfs/dbraw/zinc/56/07/73/1424560773.db2.gz GBVNLUDKTMAOBB-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001723698421 1424560812 /nfs/dbraw/zinc/56/08/12/1424560812.db2.gz NRHRXAAUBFEMJH-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001723719695 1424567534 /nfs/dbraw/zinc/56/75/34/1424567534.db2.gz SUBZXISPICFBFF-UYAOXDASSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001723820784 1424584790 /nfs/dbraw/zinc/58/47/90/1424584790.db2.gz UPXBECGQYFSNDQ-MRXNPFEDSA-N 2 0 329.488 2.859 10 30 EFEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001724059522 1424640489 /nfs/dbraw/zinc/64/04/89/1424640489.db2.gz AEPRTILQARIYBX-SFHVURJKSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001724065379 1424644252 /nfs/dbraw/zinc/64/42/52/1424644252.db2.gz UOJLKPKHKPNJPI-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001724271569 1424718325 /nfs/dbraw/zinc/71/83/25/1424718325.db2.gz DFODYURVWRLXNT-NQIIRXRSSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724301993 1424725746 /nfs/dbraw/zinc/72/57/46/1424725746.db2.gz VDAUKVDNABDFEY-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724545576 1424790792 /nfs/dbraw/zinc/79/07/92/1424790792.db2.gz BVZROJCBKOYWDH-VQIMIIECSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001724597984 1424813942 /nfs/dbraw/zinc/81/39/42/1424813942.db2.gz FNAVXFMJCTWRJU-QTMHVTGLSA-N 2 0 333.520 2.652 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001724647306 1424875138 /nfs/dbraw/zinc/87/51/38/1424875138.db2.gz IZXTZKBALOVUGE-IPMKNSEASA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653940 1424886931 /nfs/dbraw/zinc/88/69/31/1424886931.db2.gz XADMVNRKYCPSQJ-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001724730891 1424952844 /nfs/dbraw/zinc/95/28/44/1424952844.db2.gz VCOCQQFLOVQASS-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001724744207 1424973376 /nfs/dbraw/zinc/97/33/76/1424973376.db2.gz OKPIEZISTLCGIO-XLIONFOSSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724752204 1424981511 /nfs/dbraw/zinc/98/15/11/1424981511.db2.gz PXVOLRYDESFZIG-MKXGPGLRSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724753718 1424983345 /nfs/dbraw/zinc/98/33/45/1424983345.db2.gz CVZAMZWMBPQRCB-CADBVGFASA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724754129 1424984042 /nfs/dbraw/zinc/98/40/42/1424984042.db2.gz HZTHOBSVLLIBOV-CADBVGFASA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001724760008 1424990595 /nfs/dbraw/zinc/99/05/95/1424990595.db2.gz PCTVYHHWUUJRLF-OALUTQOASA-N 2 0 345.531 2.894 10 30 EFEERP C=C(C)C[NH+]1CCc2c(CNC(=O)C[N@H+]3CC[C@@H](C)C3)cccc2C1 ZINC001724777149 1425004369 /nfs/dbraw/zinc/00/43/69/1425004369.db2.gz NSWRBEBACMQLGL-QGZVFWFLSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001724865912 1425080082 /nfs/dbraw/zinc/08/00/82/1425080082.db2.gz YUYURFJHOVOLTJ-BGYRXZFFSA-N 2 0 345.531 2.892 10 30 EFEERP C=C(C)CN1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001724892099 1425106442 /nfs/dbraw/zinc/10/64/42/1425106442.db2.gz CNBAHVIILYUCGN-HXUWFJFHSA-N 2 0 341.499 2.590 10 30 EFEERP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001724902449 1425121881 /nfs/dbraw/zinc/12/18/81/1425121881.db2.gz WDQFCCOZMYEHEC-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001724948990 1425157458 /nfs/dbraw/zinc/15/74/58/1425157458.db2.gz QUWPBEAONLCTSJ-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001724954877 1425164055 /nfs/dbraw/zinc/16/40/55/1425164055.db2.gz XRBKNEMJBJPCCI-SFHVURJKSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001724956480 1425165143 /nfs/dbraw/zinc/16/51/43/1425165143.db2.gz FKDLHLZKLGRIAK-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC(CC)CC)CC2)CC1 ZINC001724963167 1425170872 /nfs/dbraw/zinc/17/08/72/1425170872.db2.gz KJQRBJVOEYMTTP-UHFFFAOYSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001724970467 1425180793 /nfs/dbraw/zinc/18/07/93/1425180793.db2.gz LAOJRSKQIRJUHT-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000081 1425213983 /nfs/dbraw/zinc/21/39/83/1425213983.db2.gz FZNAXQLTPMOBNX-AZUAARDMSA-N 2 0 347.547 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CCCCC)CC2)CC1 ZINC001725136238 1425326058 /nfs/dbraw/zinc/32/60/58/1425326058.db2.gz GHGCXYIGJKAVAF-UHFFFAOYSA-N 2 0 347.547 2.881 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC2CCCC2)CC1 ZINC001725147643 1425333846 /nfs/dbraw/zinc/33/38/46/1425333846.db2.gz NDLYBJJMXSAWLX-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175706 1425356464 /nfs/dbraw/zinc/35/64/64/1425356464.db2.gz NISBWLXEFMRRQI-CVEARBPZSA-N 2 0 341.459 2.672 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725257287 1425420379 /nfs/dbraw/zinc/42/03/79/1425420379.db2.gz ROCANTYMURBSRR-AWEZNQCLSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290017 1425443724 /nfs/dbraw/zinc/44/37/24/1425443724.db2.gz NVJHZARBYNAXHP-IRXDYDNUSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725336662 1425481021 /nfs/dbraw/zinc/48/10/21/1425481021.db2.gz VNVPZBTUMGOTSD-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001725347137 1425495598 /nfs/dbraw/zinc/49/55/98/1425495598.db2.gz NECQAJQAPLQLFQ-BGYRXZFFSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001725424192 1425569605 /nfs/dbraw/zinc/56/96/05/1425569605.db2.gz IUKKKQYDTVJTFY-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001725585023 1425670143 /nfs/dbraw/zinc/67/01/43/1425670143.db2.gz NPAVYIVCSRXWMH-APWZRJJASA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001725627728 1425724929 /nfs/dbraw/zinc/72/49/29/1425724929.db2.gz OTGXLGCJCICERE-SLFFLAALSA-N 2 0 347.547 2.900 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001725634275 1425733731 /nfs/dbraw/zinc/73/37/31/1425733731.db2.gz SFKYXBNXSIUOCK-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001725664762 1425763726 /nfs/dbraw/zinc/76/37/26/1425763726.db2.gz MWGBNSFEFMRHCC-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001725680845 1425777119 /nfs/dbraw/zinc/77/71/19/1425777119.db2.gz KNTMYFKNHWNTTQ-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725739876 1425807384 /nfs/dbraw/zinc/80/73/84/1425807384.db2.gz NGNVTIWXURWAOW-MSOLQXFVSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC/C=C/CC)C(C)(C)C)CC1 ZINC001725758365 1425825298 /nfs/dbraw/zinc/82/52/98/1425825298.db2.gz RWZMFSHTSOENOR-SGQUHAKNSA-N 2 0 347.547 2.808 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC/C=C/CC)C(C)(C)C)CC1 ZINC001725758362 1425825633 /nfs/dbraw/zinc/82/56/33/1425825633.db2.gz RWZMFSHTSOENOR-CSHXORCISA-N 2 0 347.547 2.808 10 30 EFEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725779547 1425844033 /nfs/dbraw/zinc/84/40/33/1425844033.db2.gz IGVSCGNAALIAAM-NKELODKYSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001725784193 1425849165 /nfs/dbraw/zinc/84/91/65/1425849165.db2.gz XHDIVCBOOIPBBB-LSDHHAIUSA-N 2 0 349.441 2.663 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCCC(C)C)CC2)CC1 ZINC001725828081 1425892358 /nfs/dbraw/zinc/89/23/58/1425892358.db2.gz DIRNLVHXTKESRH-UHFFFAOYSA-N 2 0 345.531 2.516 10 30 EFEERP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731294598 1426372407 /nfs/dbraw/zinc/37/24/07/1426372407.db2.gz LVVDYYHVRPMJED-MJGOQNOKSA-N 2 0 333.520 2.633 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)C(C)C ZINC000891940477 715166265 /nfs/dbraw/zinc/16/62/65/715166265.db2.gz PLLDBUUAYWZBNG-GBESFXJTSA-N 2 0 348.535 2.563 10 30 EFEERP C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000895380515 724087549 /nfs/dbraw/zinc/08/75/49/724087549.db2.gz ZGAUQWHAAUECRL-CRAIPNDOSA-N 2 0 325.460 2.758 10 30 EFEERP C[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CCN1c1cc[nH+]cc1 ZINC000895558783 724195138 /nfs/dbraw/zinc/19/51/38/724195138.db2.gz WHBIZGAUYOHAJL-INIZCTEOSA-N 2 0 335.455 2.730 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000907502288 726955144 /nfs/dbraw/zinc/95/51/44/726955144.db2.gz IPHCOMYWIHHXSE-IBGZPJMESA-N 2 0 329.488 2.521 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000907530203 726959358 /nfs/dbraw/zinc/95/93/58/726959358.db2.gz HARFNIGOFGFVRC-HXUWFJFHSA-N 2 0 329.488 2.665 10 30 EFEERP COc1ccc(CNC(NC[C@@H]2CCC[N@@H+]2C)=[NH+]C(C)(C)C)cc1 ZINC000912509214 727719625 /nfs/dbraw/zinc/71/96/25/727719625.db2.gz XQNWTGJOLJQTFX-INIZCTEOSA-N 2 0 332.492 2.623 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158240 727875441 /nfs/dbraw/zinc/87/54/41/727875441.db2.gz MCPHHBYDXJOMAZ-LJQANCHMSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236965 727925593 /nfs/dbraw/zinc/92/55/93/727925593.db2.gz DPYICNPDPBOBCP-IBGZPJMESA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940779651 728249522 /nfs/dbraw/zinc/24/95/22/728249522.db2.gz GHGHRDUMRXMQLK-HNNXBMFYSA-N 2 0 335.517 2.826 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940779652 728249660 /nfs/dbraw/zinc/24/96/60/728249660.db2.gz GHGHRDUMRXMQLK-OAHLLOKOSA-N 2 0 335.517 2.826 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940858351 728296810 /nfs/dbraw/zinc/29/68/10/728296810.db2.gz LZVUZKVAMUPESH-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001569440620 1085220908 /nfs/dbraw/zinc/22/09/08/1085220908.db2.gz RRBGPVPFEZUQLL-AYHJJNSGSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001569442754 1085221950 /nfs/dbraw/zinc/22/19/50/1085221950.db2.gz HYTHDCONQMGKJP-MVCQKVDPSA-N 2 0 345.531 2.939 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001569447971 1085227768 /nfs/dbraw/zinc/22/77/68/1085227768.db2.gz BADUKVAYHTVSKK-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001569466805 1085261649 /nfs/dbraw/zinc/26/16/49/1085261649.db2.gz FXMLCUJNGLGJCZ-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001569466575 1085261807 /nfs/dbraw/zinc/26/18/07/1085261807.db2.gz CLQWXMFOYIZQRJ-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001569466804 1085261959 /nfs/dbraw/zinc/26/19/59/1085261959.db2.gz FXMLCUJNGLGJCZ-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001569469488 1085267123 /nfs/dbraw/zinc/26/71/23/1085267123.db2.gz VXBHKULDZHQXLU-KRWDZBQOSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001569522098 1085334273 /nfs/dbraw/zinc/33/42/73/1085334273.db2.gz JJTJFAZETNWOMK-LPHOPBHVSA-N 2 0 329.488 2.907 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001569525932 1085340830 /nfs/dbraw/zinc/34/08/30/1085340830.db2.gz CURZKMCZQPMSMA-SJORKVTESA-N 2 0 345.487 2.727 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001569544025 1085360863 /nfs/dbraw/zinc/36/08/63/1085360863.db2.gz FCMOLNWDVSWKTH-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2cccc(C)c2n1 ZINC001569558792 1085373972 /nfs/dbraw/zinc/37/39/72/1085373972.db2.gz TXBNDJHUIFUUSF-SFHVURJKSA-N 2 0 340.471 2.732 10 30 EFEERP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001569589383 1085412185 /nfs/dbraw/zinc/41/21/85/1085412185.db2.gz KSJNFIDMNLLLJN-MOPGFXCFSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C[C@@H](C)n1ccnc1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001569594005 1085416791 /nfs/dbraw/zinc/41/67/91/1085416791.db2.gz UBSMKPKKRAEAIL-IAGOWNOFSA-N 2 0 348.466 2.509 10 30 EFEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCCCC)CC1 ZINC001569595962 1085419716 /nfs/dbraw/zinc/41/97/16/1085419716.db2.gz IZHBKEYQFQWRBL-KDURUIRLSA-N 2 0 347.547 2.976 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)c1ccc2ccccc2c1 ZINC001569598133 1085424377 /nfs/dbraw/zinc/42/43/77/1085424377.db2.gz WVAULWGLYHZWKZ-FQEVSTJZSA-N 2 0 337.467 2.562 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001569706397 1085536633 /nfs/dbraw/zinc/53/66/33/1085536633.db2.gz JQKOLCDNSHRKRJ-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001569715437 1085549307 /nfs/dbraw/zinc/54/93/07/1085549307.db2.gz GBBDLAIDWXIUAB-IBGZPJMESA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569722493 1085557607 /nfs/dbraw/zinc/55/76/07/1085557607.db2.gz KTHIEGJNKSZOPP-HXUWFJFHSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569739432 1085579565 /nfs/dbraw/zinc/57/95/65/1085579565.db2.gz WKKRNZLIBWYHHK-JKSUJKDBSA-N 2 0 343.462 2.510 10 30 EFEERP CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001569800020 1085615065 /nfs/dbraw/zinc/61/50/65/1085615065.db2.gz MBDZITXFVNISDW-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCCCCC)C2)CC1 ZINC001569829102 1085652060 /nfs/dbraw/zinc/65/20/60/1085652060.db2.gz SZHFWJMWTGNBPY-AZUAARDMSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001569910969 1085751318 /nfs/dbraw/zinc/75/13/18/1085751318.db2.gz YHXYVBNXHOYVNJ-CEXWTWQISA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569998672 1085839873 /nfs/dbraw/zinc/83/98/73/1085839873.db2.gz RMJZEAGLWPDMRO-RBUKOAKNSA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001570026723 1085875487 /nfs/dbraw/zinc/87/54/87/1085875487.db2.gz IAKRMILXKZCJEJ-FQEVSTJZSA-N 2 0 341.499 2.632 10 30 EFEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001570028186 1085877515 /nfs/dbraw/zinc/87/75/15/1085877515.db2.gz MQQHVVJGJPVDIL-QZTJIDSGSA-N 2 0 341.499 2.631 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001570219636 1086060223 /nfs/dbraw/zinc/06/02/23/1086060223.db2.gz FEMFAQJFQOCLBH-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001570220453 1086062853 /nfs/dbraw/zinc/06/28/53/1086062853.db2.gz RVVZAKSCMVDOEP-RTBURBONSA-N 2 0 347.547 2.548 10 30 EFEERP C=C(C)C[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001570266927 1086098089 /nfs/dbraw/zinc/09/80/89/1086098089.db2.gz FCWYLYVBYQXWAP-IBGZPJMESA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001570357464 1086165490 /nfs/dbraw/zinc/16/54/90/1086165490.db2.gz YARLOGWRBNHIGY-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001570485362 1086278531 /nfs/dbraw/zinc/27/85/31/1086278531.db2.gz IGENPLMCQZMHJB-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001570519190 1086304189 /nfs/dbraw/zinc/30/41/89/1086304189.db2.gz DZQLJQJYYSAOAP-MTQWCTHYSA-N 2 0 341.499 2.665 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001570521763 1086307295 /nfs/dbraw/zinc/30/72/95/1086307295.db2.gz DZTYSIANOCWATI-TZIWHRDSSA-N 2 0 341.499 2.810 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001570520952 1086307687 /nfs/dbraw/zinc/30/76/87/1086307687.db2.gz WQVJHFLYPWQIQW-RTBURBONSA-N 2 0 339.483 2.563 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001570534559 1086328270 /nfs/dbraw/zinc/32/82/70/1086328270.db2.gz LNOPJBAKZYQITM-KRWDZBQOSA-N 2 0 326.444 2.755 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001570544567 1086340955 /nfs/dbraw/zinc/34/09/55/1086340955.db2.gz YVQNZUONIJYCAH-IBGZPJMESA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570551779 1086358417 /nfs/dbraw/zinc/35/84/17/1086358417.db2.gz UJSLQZHHKCHIGH-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001570736105 1086490613 /nfs/dbraw/zinc/49/06/13/1086490613.db2.gz QYXIUSSBVSLGNP-QAPCUYQASA-N 2 0 327.488 2.602 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001570800227 1086526889 /nfs/dbraw/zinc/52/68/89/1086526889.db2.gz XNSIRUCKUDVZLD-GOSISDBHSA-N 2 0 333.520 2.540 10 30 EFEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001570859767 1086573332 /nfs/dbraw/zinc/57/33/32/1086573332.db2.gz FEZWUOLIZSNGNX-APWZRJJASA-N 2 0 329.488 2.692 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001570905404 1086606091 /nfs/dbraw/zinc/60/60/91/1086606091.db2.gz SIIKXFDQVHCPEX-FUHWJXTLSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001571371091 1086765350 /nfs/dbraw/zinc/76/53/50/1086765350.db2.gz JDSNPGNJNCNFHC-IBGZPJMESA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001571419489 1086797890 /nfs/dbraw/zinc/79/78/90/1086797890.db2.gz SKESFUMCIQOUOO-GOSISDBHSA-N 2 0 345.531 2.659 10 30 EFEERP 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ZINC001267098257 1092695547 /nfs/dbraw/zinc/69/55/47/1092695547.db2.gz JWKWHZXTMKQTIL-VQTJNVASSA-N 2 0 341.499 2.638 10 30 EFEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001267107293 1092749631 /nfs/dbraw/zinc/74/96/31/1092749631.db2.gz BTSXFSWGGDENAS-LJQANCHMSA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001279585499 1092908811 /nfs/dbraw/zinc/90/88/11/1092908811.db2.gz CELODGVADQRTGC-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267171900 1093055539 /nfs/dbraw/zinc/05/55/39/1093055539.db2.gz QMTBLUYHKKQOBC-IBGZPJMESA-N 2 0 347.547 2.883 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267171901 1093056236 /nfs/dbraw/zinc/05/62/36/1093056236.db2.gz QMTBLUYHKKQOBC-LJQANCHMSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267180939 1093100650 /nfs/dbraw/zinc/10/06/50/1093100650.db2.gz DRUUBWAYRHKMAE-DLBZAZTESA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267180943 1093100832 /nfs/dbraw/zinc/10/08/32/1093100832.db2.gz DRUUBWAYRHKMAE-IRXDYDNUSA-N 2 0 341.927 2.974 10 30 EFEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222095 1093252300 /nfs/dbraw/zinc/25/23/00/1093252300.db2.gz GKLQRAQEIXIZNC-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267294049 1093499099 /nfs/dbraw/zinc/49/90/99/1093499099.db2.gz BTWLAAKOUUEQDN-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001267294157 1093499333 /nfs/dbraw/zinc/49/93/33/1093499333.db2.gz DVHMXDCJNJUBLT-UHFFFAOYSA-N 2 0 335.536 2.739 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267294052 1093499372 /nfs/dbraw/zinc/49/93/72/1093499372.db2.gz BTWLAAKOUUEQDN-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP 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ZINC001481125620 1094847332 /nfs/dbraw/zinc/84/73/32/1094847332.db2.gz DPMNPASSZVDQFX-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001268046914 1094890987 /nfs/dbraw/zinc/89/09/87/1094890987.db2.gz PAXCIEBSOWTLPH-MSOLQXFVSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001268046917 1094895897 /nfs/dbraw/zinc/89/58/97/1094895897.db2.gz PAXCIEBSOWTLPH-ZWKOTPCHSA-N 2 0 335.536 2.852 10 30 EFEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001267486550 1094907533 /nfs/dbraw/zinc/90/75/33/1094907533.db2.gz GSMSYHZEUNRMLW-OAHLLOKOSA-N 2 0 347.528 2.663 10 30 EFEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267487144 1094909629 /nfs/dbraw/zinc/90/96/29/1094909629.db2.gz ATEHUXXPGXKILY-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267489622 1094928518 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2.611 10 30 EFEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268106179 1095366823 /nfs/dbraw/zinc/36/68/23/1095366823.db2.gz RVDMFTLXRVFBST-RBUKOAKNSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267536080 1095392824 /nfs/dbraw/zinc/39/28/24/1095392824.db2.gz LTCNYGOQSOAVEE-MOPGFXCFSA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC001268118975 1095404510 /nfs/dbraw/zinc/40/45/10/1095404510.db2.gz GTOSBYSQARYFMN-SFHVURJKSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001268122072 1095411520 /nfs/dbraw/zinc/41/15/20/1095411520.db2.gz GCYCOVYHBWJXKG-IBGZPJMESA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267547389 1095457572 /nfs/dbraw/zinc/45/75/72/1095457572.db2.gz MIUIFMXVADDTEQ-OALUTQOASA-N 2 0 333.520 2.587 10 30 EFEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267547352 1095458222 /nfs/dbraw/zinc/45/82/22/1095458222.db2.gz MBQCZWWCNUPNBT-HXUWFJFHSA-N 2 0 343.515 2.903 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267690677 1095464001 /nfs/dbraw/zinc/46/40/01/1095464001.db2.gz QCIYGRVSZMPQJL-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267690679 1095464019 /nfs/dbraw/zinc/46/40/19/1095464019.db2.gz QCIYGRVSZMPQJL-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267583851 1095950931 /nfs/dbraw/zinc/95/09/31/1095950931.db2.gz VUEFBDGUFGJBLP-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001267596295 1096119649 /nfs/dbraw/zinc/11/96/49/1096119649.db2.gz LZXUYQJMVDSEMV-HKUYNNGSSA-N 2 0 329.488 2.646 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001267601107 1096190767 /nfs/dbraw/zinc/19/07/67/1096190767.db2.gz KKJLQDSDHZGPDI-KRWDZBQOSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001268265620 1096211803 /nfs/dbraw/zinc/21/18/03/1096211803.db2.gz JFSBXIZXFPKQOV-WOJBJXKFSA-N 2 0 347.547 2.996 10 30 EFEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001268267662 1096215008 /nfs/dbraw/zinc/21/50/08/1096215008.db2.gz OKNFEZOHURKZJU-UYAOXDASSA-N 2 0 345.531 2.587 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001481677087 1096289623 /nfs/dbraw/zinc/28/96/23/1096289623.db2.gz CMIDUYFWYDJZBV-VJANTYMQSA-N 2 0 335.536 2.972 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)N(C)CC ZINC001481680911 1096293747 /nfs/dbraw/zinc/29/37/47/1096293747.db2.gz BZSULXIEOFIMJI-SLFFLAALSA-N 2 0 341.499 2.931 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001268372077 1096411252 /nfs/dbraw/zinc/41/12/52/1096411252.db2.gz AYXBGRUIXZPVFS-MJGOQNOKSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481725754 1096415969 /nfs/dbraw/zinc/41/59/69/1096415969.db2.gz ALFMVIJFFVDRGD-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001268413663 1096550224 /nfs/dbraw/zinc/55/02/24/1096550224.db2.gz CJMNQDLGTLVGTD-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001481781806 1096693946 /nfs/dbraw/zinc/69/39/46/1096693946.db2.gz ICGFSCOYKYNILE-WHXUGTBJSA-N 2 0 345.531 2.611 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001481850321 1096794772 /nfs/dbraw/zinc/79/47/72/1096794772.db2.gz KUYLBPSMPPLFDJ-MAUKXSAKSA-N 2 0 327.488 2.650 10 30 EFEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001481850322 1096795098 /nfs/dbraw/zinc/79/50/98/1096795098.db2.gz KUYLBPSMPPLFDJ-QAPCUYQASA-N 2 0 327.488 2.650 10 30 EFEERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001481880530 1096850816 /nfs/dbraw/zinc/85/08/16/1096850816.db2.gz GJLMWBMEVCJIBA-QGZVFWFLSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001481909937 1096909830 /nfs/dbraw/zinc/90/98/30/1096909830.db2.gz CVQMQJZCSUGFSD-UHFFFAOYSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001481931252 1096950194 /nfs/dbraw/zinc/95/01/94/1096950194.db2.gz MPYXYNKMVJUYKL-DYESRHJHSA-N 2 0 345.531 2.539 10 30 EFEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481983824 1097044847 /nfs/dbraw/zinc/04/48/47/1097044847.db2.gz JXASHJPHFJMNQI-ICSRJNTNSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001482002053 1097074043 /nfs/dbraw/zinc/07/40/43/1097074043.db2.gz ZMXRNSNBQJBHTQ-UHFFFAOYSA-N 2 0 343.515 2.809 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001482033222 1097129410 /nfs/dbraw/zinc/12/94/10/1097129410.db2.gz FXNWFSQAICQUHK-PMACEKPBSA-N 2 0 341.499 2.985 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482056062 1097193166 /nfs/dbraw/zinc/19/31/66/1097193166.db2.gz VMFWTLSPAYQOAF-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCCCCC)CC2 ZINC001482071716 1097225358 /nfs/dbraw/zinc/22/53/58/1097225358.db2.gz KPEQRMVTRUCCSL-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001268944491 1097737768 /nfs/dbraw/zinc/73/77/68/1097737768.db2.gz XOHOGTRKKGXZSK-CADBVGFASA-N 2 0 333.520 2.748 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001269174433 1097918772 /nfs/dbraw/zinc/91/87/72/1097918772.db2.gz MKBQIBXISBFSDX-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269251991 1097987044 /nfs/dbraw/zinc/98/70/44/1097987044.db2.gz VBXOIPZMYIXDED-QGZVFWFLSA-N 2 0 326.444 2.755 10 30 EFEERP CC[C@H](CNC(=O)CC[N@H+](C)CC)[NH2+]CC#Cc1ccccc1Cl ZINC001269493273 1098182897 /nfs/dbraw/zinc/18/28/97/1098182897.db2.gz UWLNXVXFOUQCDS-QGZVFWFLSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001482232112 1098263889 /nfs/dbraw/zinc/26/38/89/1098263889.db2.gz ALAKISSJOVKXGN-HZPDHXFCSA-N 2 0 339.911 2.774 10 30 EFEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269633169 1098311011 /nfs/dbraw/zinc/31/10/11/1098311011.db2.gz UCOGVVADUBWIFQ-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001269634045 1098311177 /nfs/dbraw/zinc/31/11/77/1098311177.db2.gz JLFIQEHCKBQDRQ-RTBURBONSA-N 2 0 339.499 2.650 10 30 EFEERP CC#CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001269676110 1098350284 /nfs/dbraw/zinc/35/02/84/1098350284.db2.gz GBWQUFRENTYOLT-AZUAARDMSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCCC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001269677261 1098351757 /nfs/dbraw/zinc/35/17/57/1098351757.db2.gz PEHMLVRRIDMVBI-FXAWDEMLSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCCC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001269677262 1098352262 /nfs/dbraw/zinc/35/22/62/1098352262.db2.gz PEHMLVRRIDMVBI-PXNSSMCTSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001482238609 1098377725 /nfs/dbraw/zinc/37/77/25/1098377725.db2.gz UUIOELJYDKFWBD-GOSISDBHSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001269700384 1098377965 /nfs/dbraw/zinc/37/79/65/1098377965.db2.gz WQHKJAGUYOQFNX-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001269740574 1098412859 /nfs/dbraw/zinc/41/28/59/1098412859.db2.gz GOIWZITUVILJMD-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269777827 1098439816 /nfs/dbraw/zinc/43/98/16/1098439816.db2.gz MRUXMXCGZNMRGP-SFHVURJKSA-N 2 0 341.499 2.603 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCCC=C)CC2)CC1 ZINC001269943421 1098538733 /nfs/dbraw/zinc/53/87/33/1098538733.db2.gz NCBMIQMAFSDBHJ-UHFFFAOYSA-N 2 0 345.531 2.516 10 30 EFEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001269960028 1098548111 /nfs/dbraw/zinc/54/81/11/1098548111.db2.gz PZANARKHBMKKCZ-QZTJIDSGSA-N 2 0 333.520 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC)C[C@@H]2C)CC1 ZINC001269989843 1098574648 /nfs/dbraw/zinc/57/46/48/1098574648.db2.gz YEXYWXBEZSQKCB-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001267916075 1098631455 /nfs/dbraw/zinc/63/14/55/1098631455.db2.gz OEHGVMHPZOWZCI-RTBURBONSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001270070901 1098660082 /nfs/dbraw/zinc/66/00/82/1098660082.db2.gz HEKQPTBINNJLQN-UHFFFAOYSA-N 2 0 329.488 2.843 10 30 EFEERP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001267934490 1098732349 /nfs/dbraw/zinc/73/23/49/1098732349.db2.gz YWDNDLRGVXFTQG-APWZRJJASA-N 2 0 329.488 2.841 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001267936146 1098743308 /nfs/dbraw/zinc/74/33/08/1098743308.db2.gz IJBYNNZWHPRRRJ-IBGZPJMESA-N 2 0 329.488 2.841 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267937413 1098751249 /nfs/dbraw/zinc/75/12/49/1098751249.db2.gz LBLNLSMMEYSFPO-RTBURBONSA-N 2 0 335.536 2.879 10 30 EFEERP C#CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001267948297 1098807663 /nfs/dbraw/zinc/80/76/63/1098807663.db2.gz YETZPCMUDPDRBQ-HXUWFJFHSA-N 2 0 341.499 2.531 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267758406 1098857811 /nfs/dbraw/zinc/85/78/11/1098857811.db2.gz MWRFIUZFPOWCOF-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001270315005 1098949168 /nfs/dbraw/zinc/94/91/68/1098949168.db2.gz CQIZLVWLUYKLLQ-GOSISDBHSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001270336922 1098977267 /nfs/dbraw/zinc/97/72/67/1098977267.db2.gz SUHUESDYURGMHG-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)c1ccc2ccccc2c1 ZINC001270368411 1099014430 /nfs/dbraw/zinc/01/44/30/1099014430.db2.gz DYJKEJSFIKOBNH-HXUWFJFHSA-N 2 0 337.467 2.562 10 30 EFEERP C#CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001267974094 1099033389 /nfs/dbraw/zinc/03/33/89/1099033389.db2.gz MSXLNIIYWCLNNF-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001270443376 1099093826 /nfs/dbraw/zinc/09/38/26/1099093826.db2.gz SKROWSHJFZDMQK-RBUKOAKNSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001270513027 1099164204 /nfs/dbraw/zinc/16/42/04/1099164204.db2.gz MYENQXWDALWIAQ-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481335097 1099351702 /nfs/dbraw/zinc/35/17/02/1099351702.db2.gz ONVWJLCVLQGJKV-PXNSSMCTSA-N 2 0 345.531 2.633 10 30 EFEERP C#CCN1CCC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC001621068011 1099379545 /nfs/dbraw/zinc/37/95/45/1099379545.db2.gz XLEXULBBGUREQD-HXUWFJFHSA-N 2 0 327.516 2.832 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001481349824 1099411136 /nfs/dbraw/zinc/41/11/36/1099411136.db2.gz BSRVWPLPCNJPCY-IRXDYDNUSA-N 2 0 341.927 2.973 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001270784790 1099560298 /nfs/dbraw/zinc/56/02/98/1099560298.db2.gz DYDLXFHSBLRSJW-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001279112449 1099638327 /nfs/dbraw/zinc/63/83/27/1099638327.db2.gz INTYZOZLXAUWEL-RDJZCZTQSA-N 2 0 340.471 2.907 10 30 EFEERP C#CCC[NH2+]C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@@H]1C ZINC001267872011 1099775584 /nfs/dbraw/zinc/77/55/84/1099775584.db2.gz LASUGFOUOCPOAJ-ICSRJNTNSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCC[NH2+]C[C@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@@H]1C ZINC001267872010 1099775845 /nfs/dbraw/zinc/77/58/45/1099775845.db2.gz LASUGFOUOCPOAJ-AZUAARDMSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001270892453 1100138113 /nfs/dbraw/zinc/13/81/13/1100138113.db2.gz LQEQOFBSLVILAX-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001270906968 1100225433 /nfs/dbraw/zinc/22/54/33/1100225433.db2.gz UOPCTOKOUCYGSG-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017716 1100381363 /nfs/dbraw/zinc/38/13/63/1100381363.db2.gz 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347.547 2.786 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001662863321 1103873248 /nfs/dbraw/zinc/87/32/48/1103873248.db2.gz UTIJSXQAUOMPBH-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001663067658 1103957927 /nfs/dbraw/zinc/95/79/27/1103957927.db2.gz XBSDILWREYNFDD-RTBURBONSA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001663067657 1103958775 /nfs/dbraw/zinc/95/87/75/1103958775.db2.gz XBSDILWREYNFDD-RBUKOAKNSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)CC[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663422567 1104089308 /nfs/dbraw/zinc/08/93/08/1104089308.db2.gz JFYRAWBOUZGKEW-SFHVURJKSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001663498560 1104117686 /nfs/dbraw/zinc/11/76/86/1104117686.db2.gz UFHZODVZVWXEBL-MOPGFXCFSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CN(C)Cc1ccccc1 ZINC001272053230 1104331163 /nfs/dbraw/zinc/33/11/63/1104331163.db2.gz KFCLWJCNAXECAT-WOJBJXKFSA-N 2 0 341.499 2.760 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccc(C(C)C)cc1 ZINC001664568439 1104451655 /nfs/dbraw/zinc/45/16/55/1104451655.db2.gz UXNNQKQFSVKIOR-HXUWFJFHSA-N 2 0 343.515 2.920 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001664593266 1104463804 /nfs/dbraw/zinc/46/38/04/1104463804.db2.gz VJOOZIGAVYWBTG-ICSRJNTNSA-N 2 0 341.499 2.721 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCCC)c2ccccc2)CC1 ZINC001664599219 1104466811 /nfs/dbraw/zinc/46/68/11/1104466811.db2.gz QFIQXCAQIBHGHI-HXUWFJFHSA-N 2 0 341.499 2.579 10 30 EFEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001664716639 1104517829 /nfs/dbraw/zinc/51/78/29/1104517829.db2.gz GANPZFMVHIHGQQ-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001664726186 1104525384 /nfs/dbraw/zinc/52/53/84/1104525384.db2.gz FXYWHWASKVSFFU-MRXNPFEDSA-N 2 0 326.444 2.661 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001664849906 1104577878 /nfs/dbraw/zinc/57/78/78/1104577878.db2.gz VGXBQGSEURKUSU-IBGZPJMESA-N 2 0 347.547 2.855 10 30 EFEERP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001664858859 1104580537 /nfs/dbraw/zinc/58/05/37/1104580537.db2.gz MXEROPNIOBIQKL-KRWDZBQOSA-N 2 0 345.487 2.539 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001664890361 1104594227 /nfs/dbraw/zinc/59/42/27/1104594227.db2.gz GSEGYMQSULKBSR-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncn1C ZINC001665428870 1104692572 /nfs/dbraw/zinc/69/25/72/1104692572.db2.gz KMBVCFVBYKPYFN-ROUUACIJSA-N 2 0 332.492 2.608 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)CC1 ZINC001482649442 1104732137 /nfs/dbraw/zinc/73/21/37/1104732137.db2.gz FWCJEMCMDJUTPR-UHFFFAOYSA-N 2 0 335.536 2.548 10 30 EFEERP C=CC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC[C@@H]1C ZINC001666069332 1104848491 /nfs/dbraw/zinc/84/84/91/1104848491.db2.gz STFXDSMSFGSRIU-UWJYYQICSA-N 2 0 347.547 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001482680161 1104891599 /nfs/dbraw/zinc/89/15/99/1104891599.db2.gz VSKWOAWUUGCIFD-ZBFHGGJFSA-N 2 0 335.517 2.874 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001666249753 1104911455 /nfs/dbraw/zinc/91/14/55/1104911455.db2.gz UDHNNCIWCSKLFH-OALUTQOASA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001666333411 1104928526 /nfs/dbraw/zinc/92/85/26/1104928526.db2.gz QKVZEKSCBYFIQN-LJQANCHMSA-N 2 0 329.488 2.841 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001666345252 1104930896 /nfs/dbraw/zinc/93/08/96/1104930896.db2.gz YPQHVFDRKGPACN-QGZVFWFLSA-N 2 0 329.488 2.843 10 30 EFEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001666364532 1104934324 /nfs/dbraw/zinc/93/43/24/1104934324.db2.gz VRBSLWLQTJBXJD-LJQANCHMSA-N 2 0 333.520 2.513 10 30 EFEERP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001482866507 1105115539 /nfs/dbraw/zinc/11/55/39/1105115539.db2.gz SZASXEKFRCVYSI-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001667332810 1105120782 /nfs/dbraw/zinc/12/07/82/1105120782.db2.gz QPLSHBIIYXTASP-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001667392553 1105137255 /nfs/dbraw/zinc/13/72/55/1105137255.db2.gz ATCZEGNFZLRCBK-XLIONFOSSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669960573 1105554939 /nfs/dbraw/zinc/55/49/39/1105554939.db2.gz CUMKIQPRHTZBAE-ROUUACIJSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669961625 1105556737 /nfs/dbraw/zinc/55/67/37/1105556737.db2.gz LATASDPEZCABKQ-LPHOPBHVSA-N 2 0 338.455 2.544 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669961626 1105556813 /nfs/dbraw/zinc/55/68/13/1105556813.db2.gz LATASDPEZCABKQ-QFBILLFUSA-N 2 0 338.455 2.544 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669972890 1105560467 /nfs/dbraw/zinc/56/04/67/1105560467.db2.gz BEAGXNSAUSJXKY-RBUKOAKNSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001671512112 1105648710 /nfs/dbraw/zinc/64/87/10/1105648710.db2.gz APJGZFBONBDZRT-RTWAWAEBSA-N 2 0 349.478 2.704 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001671513280 1105649798 /nfs/dbraw/zinc/64/97/98/1105649798.db2.gz WUJDXUNYTDSRQC-LEWJYISDSA-N 2 0 349.478 2.704 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001671891952 1105722684 /nfs/dbraw/zinc/72/26/84/1105722684.db2.gz IVYSBHZDVIQVNW-OAQYLSRUSA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001671916152 1105730055 /nfs/dbraw/zinc/73/00/55/1105730055.db2.gz FRRPQDVMHFDYCR-TZIWHRDSSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001672316205 1105799895 /nfs/dbraw/zinc/79/98/95/1105799895.db2.gz ZHLPALJRSSFPKU-PXNSSMCTSA-N 2 0 343.515 2.665 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001672377496 1105817264 /nfs/dbraw/zinc/81/72/64/1105817264.db2.gz WMSYRKOOMKJODN-VAMGGRTRSA-N 2 0 347.547 2.785 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001672400740 1105825129 /nfs/dbraw/zinc/82/51/29/1105825129.db2.gz PVKNHKCYNDVTOB-HXUWFJFHSA-N 2 0 341.499 2.503 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001672543785 1105868142 /nfs/dbraw/zinc/86/81/42/1105868142.db2.gz QJGPDSRTKCESMT-OALUTQOASA-N 2 0 333.520 2.894 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001672897182 1105931184 /nfs/dbraw/zinc/93/11/84/1105931184.db2.gz NJPMQFFBZGZGIS-SFHVURJKSA-N 2 0 333.520 2.513 10 30 EFEERP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001672929351 1105941451 /nfs/dbraw/zinc/94/14/51/1105941451.db2.gz FBIGINBDLOTDEV-HXUWFJFHSA-N 2 0 341.499 2.631 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001672947952 1105947421 /nfs/dbraw/zinc/94/74/21/1105947421.db2.gz QSOPSBRMJCWQBH-VQIMIIECSA-N 2 0 329.488 2.871 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001672979167 1105953174 /nfs/dbraw/zinc/95/31/74/1105953174.db2.gz TUMXKEJZPAHJPA-VJANTYMQSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001672994218 1105956324 /nfs/dbraw/zinc/95/63/24/1105956324.db2.gz CNPWJYLBBMLBLC-IRJFHVNHSA-N 2 0 341.499 2.650 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001673496359 1106033947 /nfs/dbraw/zinc/03/39/47/1106033947.db2.gz KUZLZGFEIZOZLW-UXHICEINSA-N 2 0 347.547 2.835 10 30 EFEERP C=CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001673495704 1106034364 /nfs/dbraw/zinc/03/43/64/1106034364.db2.gz BPIYALAICLYDKG-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001673495702 1106034459 /nfs/dbraw/zinc/03/44/59/1106034459.db2.gz BPIYALAICLYDKG-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001673496494 1106035760 /nfs/dbraw/zinc/03/57/60/1106035760.db2.gz NDPORCJSDXAAKL-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2C1 ZINC001673769427 1106084584 /nfs/dbraw/zinc/08/45/84/1106084584.db2.gz KDUYFBVWBXDEBD-UHFFFAOYSA-N 2 0 329.488 2.926 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001673982447 1106113882 /nfs/dbraw/zinc/11/38/82/1106113882.db2.gz YIJAMOYIUFYFHH-UHFFFAOYSA-N 2 0 343.515 2.951 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001673986299 1106114057 /nfs/dbraw/zinc/11/40/57/1106114057.db2.gz XAKLUEDZEDRXFK-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001674348257 1106175330 /nfs/dbraw/zinc/17/53/30/1106175330.db2.gz RVBYZTPVBJKDGO-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001674429739 1106188034 /nfs/dbraw/zinc/18/80/34/1106188034.db2.gz UJPAVXWSSQIXER-LDQXTDLNSA-N 2 0 341.499 2.666 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001674479892 1106201227 /nfs/dbraw/zinc/20/12/27/1106201227.db2.gz ACWBBHCWGQVMOO-FQEVSTJZSA-N 2 0 343.515 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775922 1106254875 /nfs/dbraw/zinc/25/48/75/1106254875.db2.gz YXDJJFWVJQJMNI-SJORKVTESA-N 2 0 335.536 2.641 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775919 1106255247 /nfs/dbraw/zinc/25/52/47/1106255247.db2.gz YXDJJFWVJQJMNI-DLBZAZTESA-N 2 0 335.536 2.641 10 30 EFEERP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001675129203 1106305450 /nfs/dbraw/zinc/30/54/50/1106305450.db2.gz DVHAPXOKZZNJLM-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001675140503 1106307690 /nfs/dbraw/zinc/30/76/90/1106307690.db2.gz QERFUMUSXMSBAL-ICSRJNTNSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC[C@H]([NH2+]CC=C(C)C)C(C)C)CC1 ZINC001675140250 1106307784 /nfs/dbraw/zinc/30/77/84/1106307784.db2.gz NQOIOHHEDVMILS-FQEVSTJZSA-N 2 0 347.547 2.761 10 30 EFEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001675899940 1106442408 /nfs/dbraw/zinc/44/24/08/1106442408.db2.gz YTWNLGBZDLNBIL-MSOLQXFVSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001675986109 1106461245 /nfs/dbraw/zinc/46/12/45/1106461245.db2.gz MTGIEGLJPNMPTM-JKSUJKDBSA-N 2 0 329.916 2.878 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001676144164 1106491727 /nfs/dbraw/zinc/49/17/27/1106491727.db2.gz KLDYGWOQKAAWCX-LJQANCHMSA-N 2 0 341.499 2.721 10 30 EFEERP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001676158350 1106493266 /nfs/dbraw/zinc/49/32/66/1106493266.db2.gz ADJAZOSZNYTFLT-IEBWSBKVSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001676839199 1106601468 /nfs/dbraw/zinc/60/14/68/1106601468.db2.gz ZSAKRGGTKJCGPX-QXAKKESOSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001676846719 1106602765 /nfs/dbraw/zinc/60/27/65/1106602765.db2.gz RXODBZKYEAEABF-VAMGGRTRSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001676879083 1106614456 /nfs/dbraw/zinc/61/44/56/1106614456.db2.gz KNHGPVMOVSFGEV-PKOBYXMFSA-N 2 0 333.520 2.633 10 30 EFEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001677032839 1106653586 /nfs/dbraw/zinc/65/35/86/1106653586.db2.gz MHASAVNJZFFUTL-RBUKOAKNSA-N 2 0 341.499 2.529 10 30 EFEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001677335283 1106700629 /nfs/dbraw/zinc/70/06/29/1106700629.db2.gz UREAETNSYRMEGJ-GOSISDBHSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001677376641 1106710387 /nfs/dbraw/zinc/71/03/87/1106710387.db2.gz XXCMDTXRQMPIKI-GJZGRUSLSA-N 2 0 349.441 2.663 10 30 EFEERP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001677441618 1106718025 /nfs/dbraw/zinc/71/80/25/1106718025.db2.gz ORKOHNGHRJCKSO-QLOJAFMTSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)c(F)c1 ZINC001677648091 1106810919 /nfs/dbraw/zinc/81/09/19/1106810919.db2.gz CELZVWXCUVFOOW-UHFFFAOYSA-N 2 0 347.478 2.840 10 30 EFEERP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902922076 1106847209 /nfs/dbraw/zinc/84/72/09/1106847209.db2.gz KACOFRUHPPCSED-MOPGFXCFSA-N 2 0 344.503 2.691 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC001272309443 1107736598 /nfs/dbraw/zinc/73/65/98/1107736598.db2.gz FRFBUGBGWZZFDY-FUHWJXTLSA-N 2 0 340.471 2.636 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001272502274 1108564578 /nfs/dbraw/zinc/56/45/78/1108564578.db2.gz FXFFRRGEXDAJBA-SFHVURJKSA-N 2 0 343.515 2.809 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001483800410 1112459668 /nfs/dbraw/zinc/45/96/68/1112459668.db2.gz YVWAZYKVWZNDNR-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001483798451 1112461135 /nfs/dbraw/zinc/46/11/35/1112461135.db2.gz GLRGYDXAIKNMKW-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001483817448 1112468037 /nfs/dbraw/zinc/46/80/37/1112468037.db2.gz MTUSJMRNTSQRDB-UHFFFAOYSA-N 2 0 333.520 2.607 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001483805208 1112473279 /nfs/dbraw/zinc/47/32/79/1112473279.db2.gz ZOBGXERTOAHLQN-RAFMOHDBSA-N 2 0 345.531 2.632 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483834003 1112494966 /nfs/dbraw/zinc/49/49/66/1112494966.db2.gz UBJGEWHNMNLLLT-GHTZIAJQSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001483835023 1112496044 /nfs/dbraw/zinc/49/60/44/1112496044.db2.gz DXOSDCDCRINJEI-IBGZPJMESA-N 2 0 345.531 2.609 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001483835147 1112496715 /nfs/dbraw/zinc/49/67/15/1112496715.db2.gz NPNSAICUJNMFCF-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483929585 1112572458 /nfs/dbraw/zinc/57/24/58/1112572458.db2.gz MPWXGQVAYCVLAM-MOPGFXCFSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001483938123 1112578736 /nfs/dbraw/zinc/57/87/36/1112578736.db2.gz PSXBWJNKSBWBJQ-GOSISDBHSA-N 2 0 329.488 2.561 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCCC)CC1 ZINC001483983534 1112628470 /nfs/dbraw/zinc/62/84/70/1112628470.db2.gz FCWPOOUCSBGYEP-QUCCMNQESA-N 2 0 345.531 2.730 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCC(C)C)CC1 ZINC001483988321 1112634226 /nfs/dbraw/zinc/63/42/26/1112634226.db2.gz XAGVTZDZIIGEPH-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001484174655 1112888230 /nfs/dbraw/zinc/88/82/30/1112888230.db2.gz MJPRTQHSHKOSFL-FQEVSTJZSA-N 2 0 329.488 2.523 10 30 EFEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484175108 1112889357 /nfs/dbraw/zinc/88/93/57/1112889357.db2.gz TWSGYEQYDGKHRF-OAQYLSRUSA-N 2 0 347.547 2.903 10 30 EFEERP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484175086 1112889808 /nfs/dbraw/zinc/88/98/08/1112889808.db2.gz TWSGYEQYDGKHRF-NRFANRHFSA-N 2 0 347.547 2.903 10 30 EFEERP C=CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484175935 1112890671 /nfs/dbraw/zinc/89/06/71/1112890671.db2.gz QNUHHDJCIDYJIZ-QUCCMNQESA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484548695 1113001461 /nfs/dbraw/zinc/00/14/61/1113001461.db2.gz XTXJEPIYLZMLKI-UYAOXDASSA-N 2 0 341.499 2.531 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001484558486 1113012510 /nfs/dbraw/zinc/01/25/10/1113012510.db2.gz HHXFOPGULYGEGI-XLIONFOSSA-N 2 0 341.499 2.850 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001484561662 1113015290 /nfs/dbraw/zinc/01/52/90/1113015290.db2.gz PHGYFDJESMHHIV-KRWDZBQOSA-N 2 0 339.483 2.605 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001484581204 1113034370 /nfs/dbraw/zinc/03/43/70/1113034370.db2.gz BGZDMHFVPXPHEC-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[N@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001484612454 1113054639 /nfs/dbraw/zinc/05/46/39/1113054639.db2.gz DJBJEIZLAIXAFR-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001484829117 1117747071 /nfs/dbraw/zinc/74/70/71/1117747071.db2.gz DSQIRWCDMNKCIX-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]CC=C(C)C)CC2)CC1 ZINC001484820112 1117754165 /nfs/dbraw/zinc/75/41/65/1117754165.db2.gz GREGXNCBOYKQAW-UHFFFAOYSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCCC[N@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001484874316 1117788696 /nfs/dbraw/zinc/78/86/96/1117788696.db2.gz PDLZOCQUWRPCRG-UHFFFAOYSA-N 2 0 341.499 2.926 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001484924746 1117828162 /nfs/dbraw/zinc/82/81/62/1117828162.db2.gz VXSFFWZYMINJRG-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001485011314 1117943799 /nfs/dbraw/zinc/94/37/99/1117943799.db2.gz JXZNLCQZWSIMBT-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485029192 1117954450 /nfs/dbraw/zinc/95/44/50/1117954450.db2.gz KHWFGTITDHXNLD-HKUYNNGSSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001485031658 1117956723 /nfs/dbraw/zinc/95/67/23/1117956723.db2.gz CVKSNOBYMRZKIU-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001485031872 1117957179 /nfs/dbraw/zinc/95/71/79/1117957179.db2.gz VBRRTJFZERDBKB-HXUWFJFHSA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001485110249 1118057337 /nfs/dbraw/zinc/05/73/37/1118057337.db2.gz BABJUBNAZDWTCL-ACBHZAAOSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001485176875 1118111955 /nfs/dbraw/zinc/11/19/55/1118111955.db2.gz XTZMYOXQYMPZIV-LSDHHAIUSA-N 2 0 337.895 2.640 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485240620 1118171834 /nfs/dbraw/zinc/17/18/34/1118171834.db2.gz JKXUBARXJJASSM-WWDZGPRUSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485260790 1118179897 /nfs/dbraw/zinc/17/98/97/1118179897.db2.gz QRDSFOKKPFYDLA-IBGZPJMESA-N 2 0 341.515 2.849 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001485263530 1118182590 /nfs/dbraw/zinc/18/25/90/1118182590.db2.gz IABRRNMBNJTSRA-HZPDHXFCSA-N 2 0 343.943 2.934 10 30 EFEERP C=CC[NH2+][C@H](CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001485436142 1118347948 /nfs/dbraw/zinc/34/79/48/1118347948.db2.gz YLXAFBYVPJNECO-QGZVFWFLSA-N 2 0 341.459 2.530 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485439681 1118352159 /nfs/dbraw/zinc/35/21/59/1118352159.db2.gz JCIQYSMLAYVODZ-HZPDHXFCSA-N 2 0 329.916 2.543 10 30 EFEERP C=CCCC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001485450208 1118362192 /nfs/dbraw/zinc/36/21/92/1118362192.db2.gz CFGALKIISCWSBZ-SFHVURJKSA-N 2 0 333.520 2.703 10 30 EFEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001485467053 1118376525 /nfs/dbraw/zinc/37/65/25/1118376525.db2.gz YXCFDEQRGPGYKO-MJGOQNOKSA-N 2 0 333.520 2.681 10 30 EFEERP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001485601748 1118479489 /nfs/dbraw/zinc/47/94/89/1118479489.db2.gz ROQVBBMXPAITED-NNIGNNQHSA-N 2 0 335.536 2.591 10 30 EFEERP C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)Cn3ccnc3)C2)C1 ZINC001485665999 1118514735 /nfs/dbraw/zinc/51/47/35/1118514735.db2.gz VNRSTEKVUGJXRP-UHFFFAOYSA-N 2 0 330.476 2.554 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001485706627 1118530701 /nfs/dbraw/zinc/53/07/01/1118530701.db2.gz LHOJCNJTEADJRQ-JCNLHEQBSA-N 2 0 335.879 2.599 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001485740152 1118552549 /nfs/dbraw/zinc/55/25/49/1118552549.db2.gz IBYVCKSCFABAAY-HZPDHXFCSA-N 2 0 329.916 2.876 10 30 EFEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001485768411 1118581088 /nfs/dbraw/zinc/58/10/88/1118581088.db2.gz NQSWCCJQWMWSIW-KDURUIRLSA-N 2 0 341.499 2.501 10 30 EFEERP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800535 1118633965 /nfs/dbraw/zinc/63/39/65/1118633965.db2.gz BZVSKDHTPKZNES-RBUKOAKNSA-N 2 0 345.531 2.633 10 30 EFEERP C=CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027080 1118658070 /nfs/dbraw/zinc/65/80/70/1118658070.db2.gz RRGGUVXNLSNAJK-KXBFYZLASA-N 2 0 339.499 2.602 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238222 1118695565 /nfs/dbraw/zinc/69/55/65/1118695565.db2.gz VGBSYESDFWEEGF-IBGZPJMESA-N 2 0 345.531 2.515 10 30 EFEERP N#Cc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000174362105 231189491 /nfs/dbraw/zinc/18/94/91/231189491.db2.gz MZUJNUOCKXASHK-HXUWFJFHSA-N 2 0 339.439 2.686 10 30 EFEERP C[N@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000262478925 240356016 /nfs/dbraw/zinc/35/60/16/240356016.db2.gz HRNFRZRVFZGGCT-QGZVFWFLSA-N 2 0 330.476 2.679 10 30 EFEERP C[NH+]=C(NCc1nccc2ccccc21)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245629688 240257251 /nfs/dbraw/zinc/25/72/51/240257251.db2.gz PRGDKUVISVZKNK-DNVCBOLYSA-N 2 0 339.487 2.629 10 30 EFEERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328981415 241281803 /nfs/dbraw/zinc/28/18/03/241281803.db2.gz DQZSSLWNVSRKEA-CGTJXYLNSA-N 2 0 347.507 2.634 10 30 EFEERP N#C[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414296943 244078439 /nfs/dbraw/zinc/07/84/39/244078439.db2.gz FWGNIVJADATDJB-MOPGFXCFSA-N 2 0 327.472 2.685 10 30 EFEERP C=CC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422865269 246493866 /nfs/dbraw/zinc/49/38/66/246493866.db2.gz XMAKLWRDOKEDBG-VQTJNVASSA-N 2 0 329.488 2.728 10 30 EFEERP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C#N)cc1 ZINC000423518528 267220065 /nfs/dbraw/zinc/22/00/65/267220065.db2.gz ZYWMZBANKKUYLW-MHJFOBGBSA-N 2 0 326.488 2.815 10 30 EFEERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000329484871 303513220 /nfs/dbraw/zinc/51/32/20/303513220.db2.gz SLHGSERALLJPCS-BRWVUGGUSA-N 2 0 331.435 2.617 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2cc(C#N)cs2)(N2CCCCC2)CC1 ZINC000177706880 310776110 /nfs/dbraw/zinc/77/61/10/310776110.db2.gz GTWVBSOOCNYELN-UHFFFAOYSA-N 2 0 332.517 2.660 10 30 EFEERP C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059185 472790996 /nfs/dbraw/zinc/79/09/96/472790996.db2.gz WIRAUPRMJGVFRQ-IEBWSBKVSA-N 2 0 329.488 2.664 10 30 EFEERP C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059520 472791412 /nfs/dbraw/zinc/79/14/12/472791412.db2.gz WIRAUPRMJGVFRQ-MJGOQNOKSA-N 2 0 329.488 2.664 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000106336915 472841165 /nfs/dbraw/zinc/84/11/65/472841165.db2.gz IWUHNASDGOZORB-UHFFFAOYSA-N 2 0 336.524 2.591 10 30 EFEERP C[NH+]=C(NCc1cc(C(C)C)no1)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000080893743 473096796 /nfs/dbraw/zinc/09/67/96/473096796.db2.gz OACFMQYHSHIORP-OAHLLOKOSA-N 2 0 335.496 2.583 10 30 EFEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000178973610 473603277 /nfs/dbraw/zinc/60/32/77/473603277.db2.gz BMLISPNYSYDIJO-INIZCTEOSA-N 2 0 334.891 2.716 10 30 EFEERP C(#Cc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192170191 473641382 /nfs/dbraw/zinc/64/13/82/473641382.db2.gz CYDUVXHNOQSSNC-UHFFFAOYSA-N 2 0 326.484 2.863 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428236 473860489 /nfs/dbraw/zinc/86/04/89/473860489.db2.gz CLLXXJAYKHUBLN-DZGCQCFKSA-N 2 0 334.489 2.610 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432883 474585483 /nfs/dbraw/zinc/58/54/83/474585483.db2.gz OVSKANFWJQHHFB-DOTOQJQBSA-N 2 0 331.460 2.608 10 30 EFEERP O=C(NCc1cn2c(n1)CCCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329857650 475147880 /nfs/dbraw/zinc/14/78/80/475147880.db2.gz VOJIVWDIXQUDDK-KRWDZBQOSA-N 2 0 345.491 2.584 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000349070037 475899989 /nfs/dbraw/zinc/89/99/89/475899989.db2.gz AOYQOCBKBZYGHM-UHFFFAOYSA-N 2 0 343.515 2.711 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415126804 476909223 /nfs/dbraw/zinc/90/92/23/476909223.db2.gz MKAWTKCZDCKAFQ-UXHICEINSA-N 2 0 330.472 2.970 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000594426047 478378647 /nfs/dbraw/zinc/37/86/47/478378647.db2.gz ONZFLMVPRXDEAP-QGZVFWFLSA-N 2 0 334.508 2.703 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000594440655 478389497 /nfs/dbraw/zinc/38/94/97/478389497.db2.gz HKBQMAPLXIVNBO-SFHVURJKSA-N 2 0 334.508 2.512 10 30 EFEERP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)CC1 ZINC000594439078 478389640 /nfs/dbraw/zinc/38/96/40/478389640.db2.gz NQNWVDFXDULSQE-ACBHZAAOSA-N 2 0 348.535 2.757 10 30 EFEERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497147 478411414 /nfs/dbraw/zinc/41/14/14/478411414.db2.gz CVGOMUCQEJIQRU-UHFFFAOYSA-N 2 0 329.488 2.813 10 30 EFEERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000600751068 478503468 /nfs/dbraw/zinc/50/34/68/478503468.db2.gz OZAANVDSKIURRY-LJQANCHMSA-N 2 0 335.451 2.862 10 30 EFEERP CC(C)[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)N1CC[NH+](C)CC1 ZINC000594914000 478582452 /nfs/dbraw/zinc/58/24/52/478582452.db2.gz ATAOSFAWXYTFNM-HXUWFJFHSA-N 2 0 340.515 2.603 10 30 EFEERP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594924115 478587665 /nfs/dbraw/zinc/58/76/65/478587665.db2.gz HIGTUHPBGWFAFC-UHFFFAOYSA-N 2 0 340.515 2.749 10 30 EFEERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067646 478649378 /nfs/dbraw/zinc/64/93/78/478649378.db2.gz HQNSROQLRZARFQ-KKSFZXQISA-N 2 0 335.451 2.976 10 30 EFEERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069885 478651087 /nfs/dbraw/zinc/65/10/87/478651087.db2.gz LWKJMWLAYUOZDB-KKSFZXQISA-N 2 0 335.451 2.976 10 30 EFEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501268 478805997 /nfs/dbraw/zinc/80/59/97/478805997.db2.gz CYLWGQLIOKZZDN-PZJWPPBQSA-N 2 0 339.483 2.639 10 30 EFEERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599364686 479270920 /nfs/dbraw/zinc/27/09/20/479270920.db2.gz ZSJHTCSEOFVCPN-BWPNAZKDSA-N 2 0 341.499 2.787 10 30 EFEERP Cc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379780 479276776 /nfs/dbraw/zinc/27/67/76/479276776.db2.gz SZTXIGPXBYHPJZ-JOCHJYFZSA-N 2 0 349.478 2.936 10 30 EFEERP N#CCN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000611526602 479406133 /nfs/dbraw/zinc/40/61/33/479406133.db2.gz WLNPOXRLPIEHOE-WKCHPHFGSA-N 2 0 338.499 2.760 10 30 EFEERP CN(CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1)CC[NH+](C)C ZINC000588977357 479465713 /nfs/dbraw/zinc/46/57/13/479465713.db2.gz XNUPBDVYGNLLIV-UHFFFAOYSA-N 2 0 330.520 2.803 10 30 EFEERP C[NH+](C)CCOc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000610271290 480267331 /nfs/dbraw/zinc/26/73/31/480267331.db2.gz OIFNQSZEABAMFU-UHFFFAOYSA-N 2 0 339.439 2.667 10 30 EFEERP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643793766 481591424 /nfs/dbraw/zinc/59/14/24/481591424.db2.gz RBDCPMYOSVENIO-ICSRJNTNSA-N 2 0 330.472 2.842 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662391673 481780355 /nfs/dbraw/zinc/78/03/55/481780355.db2.gz FDYZBPLVJRIQJX-AZUAARDMSA-N 2 0 329.488 2.884 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000667831533 481837293 /nfs/dbraw/zinc/83/72/93/481837293.db2.gz OMAJPZQEFAZDJI-UHFFFAOYSA-N 2 0 346.450 2.633 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666173 481923324 /nfs/dbraw/zinc/92/33/24/481923324.db2.gz QUJDHXAUJVENPY-YJBOKZPZSA-N 2 0 333.501 2.700 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000662693128 481936761 /nfs/dbraw/zinc/93/67/61/481936761.db2.gz ZYBHQNRSDGKLRF-FQEVSTJZSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC[NH2+]1 ZINC000662697873 481938441 /nfs/dbraw/zinc/93/84/41/481938441.db2.gz DPJYHEOTZGXMNP-ICSRJNTNSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000662697950 481940256 /nfs/dbraw/zinc/94/02/56/481940256.db2.gz FOFJVNGADOVEKI-QWFCFKBJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000662719035 481946256 /nfs/dbraw/zinc/94/62/56/481946256.db2.gz VLBDWYIWPPUWMI-SLYNCCJLSA-N 2 0 341.499 2.854 10 30 EFEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000662719036 481947044 /nfs/dbraw/zinc/94/70/44/481947044.db2.gz VLBDWYIWPPUWMI-YFVAEKQCSA-N 2 0 341.499 2.854 10 30 EFEERP C=CC[C@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750705 481957893 /nfs/dbraw/zinc/95/78/93/481957893.db2.gz DPRQCCACSZOUQX-FXAWDEMLSA-N 2 0 329.488 2.712 10 30 EFEERP C=CC[C@]1(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748850 481958875 /nfs/dbraw/zinc/95/88/75/481958875.db2.gz DQYGUUBGDQCKTC-WIYYLYMNSA-N 2 0 341.499 2.808 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662796797 481973770 /nfs/dbraw/zinc/97/37/70/481973770.db2.gz RAQZRJMGCNSBGB-HXUWFJFHSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649908 527635801 /nfs/dbraw/zinc/63/58/01/527635801.db2.gz CWEOLDUYOLIAKZ-ZWKOTPCHSA-N 2 0 342.487 2.713 10 30 EFEERP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158475294 528820235 /nfs/dbraw/zinc/82/02/35/528820235.db2.gz FDEUFAUAIMGDCF-SWLSCSKDSA-N 2 0 337.537 2.544 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691409921 1248748848 /nfs/dbraw/zinc/74/88/48/1248748848.db2.gz JJVFBDGQKJZQAR-PXNSSMCTSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001691920237 1248824912 /nfs/dbraw/zinc/82/49/12/1248824912.db2.gz UMZLDMKPWOYMRH-BHIYHBOVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001691428993 1248883908 /nfs/dbraw/zinc/88/39/08/1248883908.db2.gz SXYGYMOSKSSQPH-BHIYHBOVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946580 1249026862 /nfs/dbraw/zinc/02/68/62/1249026862.db2.gz HKNYNXQTMHSXOF-DLBZAZTESA-N 2 0 341.515 2.849 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001772541995 1248275147 /nfs/dbraw/zinc/27/51/47/1248275147.db2.gz KEKQOBZZIXDXBE-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001772542013 1248276487 /nfs/dbraw/zinc/27/64/87/1248276487.db2.gz OWSCRAUZRXIPPB-UHFFFAOYSA-N 2 0 332.492 2.508 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@H](C)c2ccccc2)CC1 ZINC001691056071 1248313763 /nfs/dbraw/zinc/31/37/63/1248313763.db2.gz LUULVBQJIZJBRP-GOSISDBHSA-N 2 0 341.499 2.531 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CC(C)C)CC1 ZINC001692014303 1248506721 /nfs/dbraw/zinc/50/67/21/1248506721.db2.gz VCJHRAPOSMTGHS-ICSRJNTNSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH+](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001691226310 1248552288 /nfs/dbraw/zinc/55/22/88/1248552288.db2.gz WRGNQVFUUFAYFK-LJQANCHMSA-N 2 0 339.499 2.746 10 30 EFEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691236059 1248559455 /nfs/dbraw/zinc/55/94/55/1248559455.db2.gz XZPNEAXSUQYWBC-DLBZAZTESA-N 2 0 333.520 2.537 10 30 EFEERP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001691305130 1248635989 /nfs/dbraw/zinc/63/59/89/1248635989.db2.gz JGOYGQFCACCKHD-FUHWJXTLSA-N 2 0 332.492 2.765 10 30 EFEERP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001691305132 1248636913 /nfs/dbraw/zinc/63/69/13/1248636913.db2.gz JGOYGQFCACCKHD-WMZOPIPTSA-N 2 0 332.492 2.765 10 30 EFEERP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001691557225 1251769980 /nfs/dbraw/zinc/76/99/80/1251769980.db2.gz SPNGQEWJSRANAQ-VQTJNVASSA-N 2 0 341.499 2.633 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484116703 1252282095 /nfs/dbraw/zinc/28/20/95/1252282095.db2.gz IJMQAUFUWAZMCB-FQEVSTJZSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484352752 1252442753 /nfs/dbraw/zinc/44/27/53/1252442753.db2.gz AJTHDKKEIFIDLK-VQIMIIECSA-N 2 0 333.520 2.511 10 30 EFEERP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001484359011 1252444913 /nfs/dbraw/zinc/44/49/13/1252444913.db2.gz QUEWKXOSDCKALY-IAGOWNOFSA-N 2 0 345.487 2.585 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@@H]1C ZINC001484367414 1252469978 /nfs/dbraw/zinc/46/99/78/1252469978.db2.gz DFJVDXFBNPJMQJ-YOEHRIQHSA-N 2 0 326.444 2.517 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@@H]1C ZINC001484367413 1252470694 /nfs/dbraw/zinc/47/06/94/1252470694.db2.gz DFJVDXFBNPJMQJ-WMLDXEAASA-N 2 0 326.444 2.517 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001484414998 1252569253 /nfs/dbraw/zinc/56/92/53/1252569253.db2.gz JSXNPHAVPUGIFZ-YRXWBPOGSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001484770599 1252936576 /nfs/dbraw/zinc/93/65/76/1252936576.db2.gz HJABQXDALXGCNZ-MOPGFXCFSA-N 2 0 347.547 2.855 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001484770241 1252938127 /nfs/dbraw/zinc/93/81/27/1252938127.db2.gz BBRYAMIDKNDSRM-VQTJNVASSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484771443 1252939464 /nfs/dbraw/zinc/93/94/64/1252939464.db2.gz CMLNJSIEWRODIU-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484771442 1252941650 /nfs/dbraw/zinc/94/16/50/1252941650.db2.gz CMLNJSIEWRODIU-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001484812325 1253018342 /nfs/dbraw/zinc/01/83/42/1253018342.db2.gz TYDNDPDOCDFVTJ-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485824093 1255323534 /nfs/dbraw/zinc/32/35/34/1255323534.db2.gz GYISGBNIMVJJIY-IRXDYDNUSA-N 2 0 341.927 2.688 10 30 EFEERP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921528260 1257022639 /nfs/dbraw/zinc/02/26/39/1257022639.db2.gz SCLGXNTZOIRCIJ-UHFFFAOYSA-N 2 0 328.504 2.682 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001272755837 1257411297 /nfs/dbraw/zinc/41/12/97/1257411297.db2.gz KYHNREMUYLSRTI-ZHALLVOQSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670922566 1258674056 /nfs/dbraw/zinc/67/40/56/1258674056.db2.gz DGTNADZIEUSJSR-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001670947582 1258883306 /nfs/dbraw/zinc/88/33/06/1258883306.db2.gz YAUGAABLXIGTCA-YQQQUEKLSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)C1CCCCCC1 ZINC001670980025 1259277865 /nfs/dbraw/zinc/27/78/65/1259277865.db2.gz FDFDFZZQRPJXCF-UHFFFAOYSA-N 2 0 333.520 2.637 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001670985358 1259316016 /nfs/dbraw/zinc/31/60/16/1259316016.db2.gz QFJRWOYKQYJPPC-YLJYHZDGSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001671038555 1259820693 /nfs/dbraw/zinc/82/06/93/1259820693.db2.gz DTIHHROTLQPARH-PKOBYXMFSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001272817533 1260402155 /nfs/dbraw/zinc/40/21/55/1260402155.db2.gz OVEUYQFSHYZRGF-QZTJIDSGSA-N 2 0 335.536 2.852 10 30 EFEERP N#Cc1sccc1N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923387133 1261595859 /nfs/dbraw/zinc/59/58/59/1261595859.db2.gz UZSKZZALCXIBDF-MQVJKMGUSA-N 2 0 330.501 2.662 10 30 EFEERP N#Cc1ccc([C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923508882 1261810353 /nfs/dbraw/zinc/81/03/53/1261810353.db2.gz XXCOTKHTOXGSIK-XLIONFOSSA-N 2 0 327.472 2.693 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001486128060 1262704884 /nfs/dbraw/zinc/70/48/84/1262704884.db2.gz JUEZEYLEFIRUAH-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001486205094 1262790950 /nfs/dbraw/zinc/79/09/50/1262790950.db2.gz ALJGNHBISDJNOF-ROUUACIJSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC001486247518 1262851458 /nfs/dbraw/zinc/85/14/58/1262851458.db2.gz HFYRKBAWRQDVCI-GOSISDBHSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)C[N@@H+](C)CCN(C(=O)Cc1cn2c(n1)CCCC2)C(C)C ZINC001486370561 1262967921 /nfs/dbraw/zinc/96/79/21/1262967921.db2.gz YGQFTOGEKABGOR-UHFFFAOYSA-N 2 0 332.492 2.507 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001486404090 1263054560 /nfs/dbraw/zinc/05/45/60/1263054560.db2.gz XVRIOJTXFITCLT-QGZVFWFLSA-N 2 0 335.536 2.783 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001486422543 1263072814 /nfs/dbraw/zinc/07/28/14/1263072814.db2.gz BFZWZJDNAPCRLJ-HUUCEWRRSA-N 2 0 329.916 2.734 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCCC2)C(C)(C)C)CC1 ZINC001486424467 1263077187 /nfs/dbraw/zinc/07/71/87/1263077187.db2.gz NLJOPRQCCGKTGP-LJQANCHMSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486440919 1263151578 /nfs/dbraw/zinc/15/15/78/1263151578.db2.gz ANTBQGHYBVESOU-UYAOXDASSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001486524803 1263328753 /nfs/dbraw/zinc/32/87/53/1263328753.db2.gz NQSRCABETYZKIC-GOSISDBHSA-N 2 0 333.451 2.592 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)c(F)c1 ZINC001486525530 1263330496 /nfs/dbraw/zinc/33/04/96/1263330496.db2.gz NGYPWTYQAJOBHL-MJGOQNOKSA-N 2 0 345.462 2.734 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365130 1266954750 /nfs/dbraw/zinc/95/47/50/1266954750.db2.gz CCYYPWCCABJDRL-GOSISDBHSA-N 2 0 328.504 2.960 10 30 EFEERP C#CCOc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000817983757 1276420329 /nfs/dbraw/zinc/42/03/29/1276420329.db2.gz PRPHDBPBCAHHNC-KKXNLOMOSA-N 2 0 341.499 2.566 10 30 EFEERP C#CCOc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000817983758 1276421847 /nfs/dbraw/zinc/42/18/47/1276421847.db2.gz PRPHDBPBCAHHNC-QHGAOEGBSA-N 2 0 341.499 2.566 10 30 EFEERP C=CCOc1cccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC001177210190 1288313193 /nfs/dbraw/zinc/31/31/93/1288313193.db2.gz ZKLSLUGEYIMMRO-FQEVSTJZSA-N 2 0 331.504 2.613 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903459296 1312713403 /nfs/dbraw/zinc/71/34/03/1312713403.db2.gz GCMDYIFBAJBCCN-QUCCMNQESA-N 2 0 327.472 2.893 10 30 EFEERP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000903460674 1312715243 /nfs/dbraw/zinc/71/52/43/1312715243.db2.gz HMTMAORTQPWLEO-RYQLBKOJSA-N 2 0 333.863 2.930 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000876716536 1290987577 /nfs/dbraw/zinc/98/75/77/1290987577.db2.gz HBFQFGYZELLHHN-CQSZACIVSA-N 2 0 339.867 2.816 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000876737691 1290994643 /nfs/dbraw/zinc/99/46/43/1290994643.db2.gz VTOZZZVDOKZAGT-ZDUSSCGKSA-N 2 0 346.258 2.689 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876753145 1291007953 /nfs/dbraw/zinc/00/79/53/1291007953.db2.gz BDDVZQXDYSHPCW-PVAVHDDUSA-N 2 0 335.879 2.626 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903154 1291065878 /nfs/dbraw/zinc/06/58/78/1291065878.db2.gz RKSXVVZEWDWDMZ-SZMVWBNQSA-N 2 0 349.906 2.873 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201805 1291165543 /nfs/dbraw/zinc/16/55/43/1291165543.db2.gz RBQIMGXPUUNQDE-SFHVURJKSA-N 2 0 349.906 2.875 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877443538 1291236081 /nfs/dbraw/zinc/23/60/81/1291236081.db2.gz FUUATQBDRRYEQQ-BMFZPTHFSA-N 2 0 327.900 2.603 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCC[NH2+]1 ZINC000877444700 1291237812 /nfs/dbraw/zinc/23/78/12/1291237812.db2.gz OUIIRNWOKLEIIH-XKGZKEIXSA-N 2 0 333.520 2.831 10 30 EFEERP C=CC[C@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337102 1291632992 /nfs/dbraw/zinc/63/29/92/1291632992.db2.gz BVOZUGHJNQJJHB-GOSISDBHSA-N 2 0 331.460 2.738 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001273599024 1292116136 /nfs/dbraw/zinc/11/61/36/1292116136.db2.gz MSFZZGJKDOSMTL-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001276335490 1292829655 /nfs/dbraw/zinc/82/96/55/1292829655.db2.gz WZDHSAZWWNIXHK-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001273833692 1296245430 /nfs/dbraw/zinc/24/54/30/1296245430.db2.gz QFNPRNGWJACPOC-FPOVZHCZSA-N 2 0 345.531 2.609 10 30 EFEERP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887064 1313352213 /nfs/dbraw/zinc/35/22/13/1313352213.db2.gz XAWZZDMAVGEVGK-GOSISDBHSA-N 2 0 342.487 2.543 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136582 1297236937 /nfs/dbraw/zinc/23/69/37/1297236937.db2.gz NWJDWJOGUYFKML-GHTZIAJQSA-N 2 0 340.515 2.633 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136584 1297237201 /nfs/dbraw/zinc/23/72/01/1297237201.db2.gz NWJDWJOGUYFKML-RXVVDRJESA-N 2 0 340.515 2.633 10 30 EFEERP C#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC[NH+](C)CC3)CC2)cc1 ZINC000931467094 1297341044 /nfs/dbraw/zinc/34/10/44/1297341044.db2.gz HGZVHZVKGBOHNI-UHFFFAOYSA-N 2 0 339.483 2.804 10 30 EFEERP C=C(Cl)CN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@@H+](C)CC ZINC001489087359 1298008079 /nfs/dbraw/zinc/00/80/79/1298008079.db2.gz QKBZNFDUKXCMTP-HYVNUMGLSA-N 2 0 341.927 2.686 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001489199213 1298112031 /nfs/dbraw/zinc/11/20/31/1298112031.db2.gz BBKMCFXPMXFTNU-AABGKKOBSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001489203257 1298117131 /nfs/dbraw/zinc/11/71/31/1298117131.db2.gz ZTQSCUYQGJXZGI-AQNXPRMDSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349296 1298205543 /nfs/dbraw/zinc/20/55/43/1298205543.db2.gz FKXXICQHRQFNPT-OALUTQOASA-N 2 0 347.547 2.737 10 30 EFEERP C=CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903980482 1313530768 /nfs/dbraw/zinc/53/07/68/1313530768.db2.gz STUMAVLKQOEZBO-BGYRXZFFSA-N 2 0 341.499 2.652 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441458 1298866518 /nfs/dbraw/zinc/86/65/18/1298866518.db2.gz CZRDMQUFYQYODJ-GOSISDBHSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001490596659 1299017015 /nfs/dbraw/zinc/01/70/15/1299017015.db2.gz ANELZNQXPOOOJY-ZWKOTPCHSA-N 2 0 345.531 2.940 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001490602072 1299032807 /nfs/dbraw/zinc/03/28/07/1299032807.db2.gz UGBAWTHKSZMKRD-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001490682559 1299085561 /nfs/dbraw/zinc/08/55/61/1299085561.db2.gz MMFPIXFZZFBZAQ-SFHVURJKSA-N 2 0 326.444 2.707 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001490758767 1299199324 /nfs/dbraw/zinc/19/93/24/1299199324.db2.gz MEIHEQCCTBBHQF-HNNXBMFYSA-N 2 0 335.517 2.780 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777453 1299244777 /nfs/dbraw/zinc/24/47/77/1299244777.db2.gz PVGYCIHNBFBHRP-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777456 1299245261 /nfs/dbraw/zinc/24/52/61/1299245261.db2.gz PVGYCIHNBFBHRP-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763633 1299875536 /nfs/dbraw/zinc/87/55/36/1299875536.db2.gz CDNZHGRZPIUNEE-KRWDZBQOSA-N 2 0 333.524 2.969 10 30 EFEERP C=CC[C@@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000852862376 1299917651 /nfs/dbraw/zinc/91/76/51/1299917651.db2.gz BYHCVAONNIAQEI-FQEVSTJZSA-N 2 0 333.520 2.846 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001278183800 1313755143 /nfs/dbraw/zinc/75/51/43/1313755143.db2.gz CTNDRCHEOKLWQO-FQEVSTJZSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CCCC)CC1 ZINC001278194883 1313770946 /nfs/dbraw/zinc/77/09/46/1313770946.db2.gz VZPACCHTHHDLKB-UYAOXDASSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001278200447 1313781315 /nfs/dbraw/zinc/78/13/15/1313781315.db2.gz JAIWTIZAYJPAKJ-LJQANCHMSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001278240446 1313830478 /nfs/dbraw/zinc/83/04/78/1313830478.db2.gz BUTZOYNHEVYOOH-UXHICEINSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCC[N@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001276608183 1314070250 /nfs/dbraw/zinc/07/02/50/1314070250.db2.gz PFZRVPIDGAHXQP-LJQANCHMSA-N 2 0 343.515 2.564 10 30 EFEERP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001278334460 1314140376 /nfs/dbraw/zinc/14/03/76/1314140376.db2.gz CCYQOUCOXPANTO-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000900782478 1308673732 /nfs/dbraw/zinc/67/37/32/1308673732.db2.gz NMEBKJYLICLOOY-UHFFFAOYSA-N 2 0 328.460 2.649 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000900957798 1309036734 /nfs/dbraw/zinc/03/67/34/1309036734.db2.gz BHLDRCCIPMDKQJ-IEBWSBKVSA-N 2 0 329.488 2.521 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278382995 1314384129 /nfs/dbraw/zinc/38/41/29/1314384129.db2.gz BAGIEZYREOUMLT-GDBMZVCRSA-N 2 0 326.444 2.802 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491180601 1311169274 /nfs/dbraw/zinc/16/92/74/1311169274.db2.gz UDOJTQQQXJGFQA-ICSRJNTNSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001276840596 1311187454 /nfs/dbraw/zinc/18/74/54/1311187454.db2.gz QMVWIBJUZQKOEX-KSZLIROESA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001276842238 1311189229 /nfs/dbraw/zinc/18/92/29/1311189229.db2.gz ZMBRCMUMTHHCQK-UFYCRDLUSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276996589 1311434033 /nfs/dbraw/zinc/43/40/33/1311434033.db2.gz ZDAYLSVYOOQOIP-LNLFQRSKSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001277298333 1311944868 /nfs/dbraw/zinc/94/48/68/1311944868.db2.gz CPDPZJQMGKVMNW-RLLQIKCJSA-N 2 0 343.515 2.782 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@]1(C)CCCCO1 ZINC000902746604 1312072353 /nfs/dbraw/zinc/07/23/53/1312072353.db2.gz KRHFFVLMCJECPB-UFYCRDLUSA-N 2 0 337.552 2.896 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001277389075 1312099503 /nfs/dbraw/zinc/09/95/03/1312099503.db2.gz ZQCRSHFIZUHEBS-LJQANCHMSA-N 2 0 333.520 2.750 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000902806036 1312122212 /nfs/dbraw/zinc/12/22/12/1312122212.db2.gz HZXOSTKFGZTQAL-RYRKJORJSA-N 2 0 330.476 2.741 10 30 EFEERP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001277454000 1312228770 /nfs/dbraw/zinc/22/87/70/1312228770.db2.gz GFIOJMTUWYTLSI-FQEVSTJZSA-N 2 0 341.499 2.503 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001277473208 1312398442 /nfs/dbraw/zinc/39/84/42/1312398442.db2.gz BDUZLTOIWWAGJM-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001277524245 1312510309 /nfs/dbraw/zinc/51/03/09/1312510309.db2.gz JPAYYUFFYLWWIN-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278427365 1314574013 /nfs/dbraw/zinc/57/40/13/1314574013.db2.gz SFQGJBMDDIJTBM-MOPGFXCFSA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278427367 1314574693 /nfs/dbraw/zinc/57/46/93/1314574693.db2.gz SFQGJBMDDIJTBM-RBUKOAKNSA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001278451126 1314637089 /nfs/dbraw/zinc/63/70/89/1314637089.db2.gz HCJWQLNJAIBHMZ-ZIFCJYIRSA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001278488875 1314802055 /nfs/dbraw/zinc/80/20/55/1314802055.db2.gz YSEXNPYEQLOOEP-GUDVDZBRSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001276762707 1315117545 /nfs/dbraw/zinc/11/75/45/1315117545.db2.gz SAJWTLKQTDOGOR-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001278580270 1315223550 /nfs/dbraw/zinc/22/35/50/1315223550.db2.gz OXLXPJDIWGULDR-QZTJIDSGSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278613368 1315294011 /nfs/dbraw/zinc/29/40/11/1315294011.db2.gz KVQCDYOAYUJMRS-PKOBYXMFSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278682036 1315504141 /nfs/dbraw/zinc/50/41/41/1315504141.db2.gz QIPRDDBCJWASJP-FQEVSTJZSA-N 2 0 335.536 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C2)CC1 ZINC001278690163 1315545561 /nfs/dbraw/zinc/54/55/61/1315545561.db2.gz OYBCHBAABMENPO-GOSISDBHSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278741448 1315640470 /nfs/dbraw/zinc/64/04/70/1315640470.db2.gz OZLYCIGDUIQTKE-OAHLLOKOSA-N 2 0 343.462 2.510 10 30 EFEERP CC#CC[N@H+](C)CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)C(C)C ZINC001278918089 1315914517 /nfs/dbraw/zinc/91/45/17/1315914517.db2.gz MJIKGWRJTSMCPF-UHFFFAOYSA-N 2 0 343.515 2.596 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001278982628 1316019555 /nfs/dbraw/zinc/01/95/55/1316019555.db2.gz JFXVCJFWYAQQMY-SFHVURJKSA-N 2 0 335.536 2.785 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001263864567 1316570209 /nfs/dbraw/zinc/57/02/09/1316570209.db2.gz YSYDBPDTRAJUGM-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001264099537 1316589168 /nfs/dbraw/zinc/58/91/68/1316589168.db2.gz GERWAJGIFCDSNB-ZCNNSNEGSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001264097827 1316589467 /nfs/dbraw/zinc/58/94/67/1316589467.db2.gz YMVHSAPKIZPCPO-AABGKKOBSA-N 2 0 347.547 2.996 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001264185422 1316597124 /nfs/dbraw/zinc/59/71/24/1316597124.db2.gz AFBOMYNSGNEXRK-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001264390658 1316611567 /nfs/dbraw/zinc/61/15/67/1316611567.db2.gz CBSUWOFSGMLVRF-OKZBNKHCSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001264481720 1316619309 /nfs/dbraw/zinc/61/93/09/1316619309.db2.gz ZYVHYMAMSUQPEN-NZSAHSFTSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001264497457 1316621024 /nfs/dbraw/zinc/62/10/24/1316621024.db2.gz WEBRHRKFRTWMBI-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001264579197 1316633994 /nfs/dbraw/zinc/63/39/94/1316633994.db2.gz NVQBREQJWIZAPS-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001265094738 1316719249 /nfs/dbraw/zinc/71/92/49/1316719249.db2.gz JCLBDSYSPCDLTJ-ICSRJNTNSA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001265192268 1316749056 /nfs/dbraw/zinc/74/90/56/1316749056.db2.gz WERYMWWMGQNNEU-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001265195559 1316749361 /nfs/dbraw/zinc/74/93/61/1316749361.db2.gz FUISCQGOQSESNH-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001265196008 1316749998 /nfs/dbraw/zinc/74/99/98/1316749998.db2.gz UYYNQXWRWIDMLQ-SQNIBIBYSA-N 2 0 335.536 2.994 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCCC(C)C)CC2)CC1 ZINC001265200575 1316750620 /nfs/dbraw/zinc/75/06/20/1316750620.db2.gz UHFRXTUDBMLKAM-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001265333808 1316784665 /nfs/dbraw/zinc/78/46/65/1316784665.db2.gz DRDGCGHQWGKQAD-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C#CC[NH+]1CCC(N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001265339997 1316785381 /nfs/dbraw/zinc/78/53/81/1316785381.db2.gz DWKNNHMGOUXUFD-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001265356066 1316789369 /nfs/dbraw/zinc/78/93/69/1316789369.db2.gz HZJIPHIKMZDLJS-HKUYNNGSSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001265390520 1316795722 /nfs/dbraw/zinc/79/57/22/1316795722.db2.gz GYGWQZZXSWDDPR-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265390742 1316795887 /nfs/dbraw/zinc/79/58/87/1316795887.db2.gz MEHINFGLRHWBOV-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001265390521 1316795915 /nfs/dbraw/zinc/79/59/15/1316795915.db2.gz GYGWQZZXSWDDPR-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001265396510 1316798236 /nfs/dbraw/zinc/79/82/36/1316798236.db2.gz FGNQLXHHRZCGOO-IBGZPJMESA-N 2 0 341.499 2.556 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265399323 1316799512 /nfs/dbraw/zinc/79/95/12/1316799512.db2.gz UHUWFTAZDXDEGC-UXHICEINSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001265407293 1316800994 /nfs/dbraw/zinc/80/09/94/1316800994.db2.gz WXDXNIXJTXHKGK-INDMIFKZSA-N 2 0 333.520 2.891 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001265407294 1316801093 /nfs/dbraw/zinc/80/10/93/1316801093.db2.gz WXDXNIXJTXHKGK-OKYOBFRVSA-N 2 0 333.520 2.891 10 30 EFEERP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001265410054 1316801429 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ABRDAIOQQINYRT-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCCCCC)C2)CC1 ZINC001266119506 1317067364 /nfs/dbraw/zinc/06/73/64/1317067364.db2.gz GOPZFFSNXXDNSL-FQEVSTJZSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001318715741 1328675795 /nfs/dbraw/zinc/67/57/95/1328675795.db2.gz WTIJYJFEGBXINC-RBUKOAKNSA-N 2 0 339.499 2.650 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001279281745 1317224238 /nfs/dbraw/zinc/22/42/38/1317224238.db2.gz NUWOCFPHMJNDJB-MKXGPGLRSA-N 2 0 335.536 2.805 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001279304452 1317230996 /nfs/dbraw/zinc/23/09/96/1317230996.db2.gz HROXMUCEDFPBRE-VQTJNVASSA-N 2 0 343.515 2.911 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001279566143 1317303389 /nfs/dbraw/zinc/30/33/89/1317303389.db2.gz OMWUIUQKAIMYDU-RCCFBDPRSA-N 2 0 339.499 2.698 10 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ZINC001280462399 1317573055 /nfs/dbraw/zinc/57/30/55/1317573055.db2.gz RFNTVSJQAGEIDO-QGZVFWFLSA-N 2 0 341.927 2.976 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001318822101 1328711326 /nfs/dbraw/zinc/71/13/26/1328711326.db2.gz RNLFFZDKYYAEQX-GOSISDBHSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001318897049 1328736000 /nfs/dbraw/zinc/73/60/00/1328736000.db2.gz QHHFDOFEXPWBDY-IBGZPJMESA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001281050121 1317998172 /nfs/dbraw/zinc/99/81/72/1317998172.db2.gz WZDVRABYYKHZJD-LJQANCHMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001281069432 1318005045 /nfs/dbraw/zinc/00/50/45/1318005045.db2.gz AWYBDRXCKUXELK-HXUWFJFHSA-N 2 0 341.499 2.592 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001319031225 1328767782 /nfs/dbraw/zinc/76/77/82/1328767782.db2.gz FFNVLKOGVUIKTN-IBGZPJMESA-N 2 0 339.499 2.603 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001281795797 1318587230 /nfs/dbraw/zinc/58/72/30/1318587230.db2.gz DIGLRIFMEBZEHC-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001281833188 1318596571 /nfs/dbraw/zinc/59/65/71/1318596571.db2.gz CNJXLPFEKIPYTC-SFHVURJKSA-N 2 0 344.503 2.582 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001281834052 1318598529 /nfs/dbraw/zinc/59/85/29/1318598529.db2.gz TVFDEOYSMVXYGI-FQEVSTJZSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001281839692 1318599759 /nfs/dbraw/zinc/59/97/59/1318599759.db2.gz BQYQWOKQXODCRT-MOPGFXCFSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316615115 1318614377 /nfs/dbraw/zinc/61/43/77/1318614377.db2.gz CISQIVFTTOQFMM-ZIFCJYIRSA-N 2 0 333.520 2.844 10 30 EFEERP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001281976292 1318645439 /nfs/dbraw/zinc/64/54/39/1318645439.db2.gz UQJFWVYXVHAEOK-VQTJNVASSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001281980428 1318646783 /nfs/dbraw/zinc/64/67/83/1318646783.db2.gz IKABJFTXFMIMHA-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001281980415 1318647255 /nfs/dbraw/zinc/64/72/55/1318647255.db2.gz IGHGLEJYWFCTFU-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001319144144 1328790077 /nfs/dbraw/zinc/79/00/77/1328790077.db2.gz BFNYMJYKLYJDLP-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001282724309 1319093424 /nfs/dbraw/zinc/09/34/24/1319093424.db2.gz GQFFJXPCLCNQGM-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001282742084 1319103504 /nfs/dbraw/zinc/10/35/04/1319103504.db2.gz XGMRZMIBVSQEMF-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001282744687 1319106827 /nfs/dbraw/zinc/10/68/27/1319106827.db2.gz PYMHENGOEFWBKZ-KXBFYZLASA-N 2 0 339.499 2.602 10 30 EFEERP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282833499 1319150998 /nfs/dbraw/zinc/15/09/98/1319150998.db2.gz LCWIBAVXLIDAOT-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001282959056 1319217638 /nfs/dbraw/zinc/21/76/38/1319217638.db2.gz SNRQNYCYMCCIDT-IPMKNSEASA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001282977578 1319233001 /nfs/dbraw/zinc/23/30/01/1319233001.db2.gz LNQDMVYPMXZWLX-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001283332213 1319565586 /nfs/dbraw/zinc/56/55/86/1319565586.db2.gz SMORGDFKYVVWJL-UHFFFAOYSA-N 2 0 343.515 2.660 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCCC)C[C@H]2C)CC1 ZINC001284034518 1320158771 /nfs/dbraw/zinc/15/87/71/1320158771.db2.gz RHXDEFHJLRWPBS-UYAOXDASSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC001284056886 1320169876 /nfs/dbraw/zinc/16/98/76/1320169876.db2.gz IYRROHBTHAEXNH-KVSKMBFKSA-N 2 0 330.476 2.659 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC001284072472 1320180128 /nfs/dbraw/zinc/18/01/28/1320180128.db2.gz RPYSMWKIVBYIAS-UYAOXDASSA-N 2 0 344.503 2.822 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001319412466 1328877460 /nfs/dbraw/zinc/87/74/60/1328877460.db2.gz PVMJTTAZBHLLDC-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001284291721 1320306279 /nfs/dbraw/zinc/30/62/79/1320306279.db2.gz KXLQFYSCFUZEOB-ROUUACIJSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001284291720 1320306464 /nfs/dbraw/zinc/30/64/64/1320306464.db2.gz KXLQFYSCFUZEOB-QZTJIDSGSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001284371428 1320343782 /nfs/dbraw/zinc/34/37/82/1320343782.db2.gz ISNUISVCYXKDOO-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001284702515 1320483448 /nfs/dbraw/zinc/48/34/48/1320483448.db2.gz PTKGNBXBHVLNNA-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001284720013 1320491684 /nfs/dbraw/zinc/49/16/84/1320491684.db2.gz UREAETNSYRMEGJ-SFHVURJKSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001284853281 1320562566 /nfs/dbraw/zinc/56/25/66/1320562566.db2.gz PCRJBJDEEOIHRW-IAGOWNOFSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001284928898 1320601709 /nfs/dbraw/zinc/60/17/09/1320601709.db2.gz ROVAWVRPWYCLLK-MJGOQNOKSA-N 2 0 333.520 2.964 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001319663172 1328942792 /nfs/dbraw/zinc/94/27/92/1328942792.db2.gz MHNZFRJQSAQOSZ-IBGZPJMESA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCCC1 ZINC001319669192 1328945801 /nfs/dbraw/zinc/94/58/01/1328945801.db2.gz OZRAXQJRSTYXFQ-WOJBJXKFSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001319670068 1328946590 /nfs/dbraw/zinc/94/65/90/1328946590.db2.gz XDTJDRSPWORSNT-RTBURBONSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001319773898 1328984421 /nfs/dbraw/zinc/98/44/21/1328984421.db2.gz GEOMCYNBMQQRPU-APWZRJJASA-N 2 0 339.499 2.746 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001319778013 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2.953 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001316666757 1323711743 /nfs/dbraw/zinc/71/17/43/1323711743.db2.gz KUJMTEVOOOLPLH-CMKODMSKSA-N 2 0 345.531 2.561 10 30 EFEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001491944504 1324061112 /nfs/dbraw/zinc/06/11/12/1324061112.db2.gz WKHHNHSOXKRDRF-VQTJNVASSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001491958429 1324076976 /nfs/dbraw/zinc/07/69/76/1324076976.db2.gz DDRQCSCWHCNILD-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320549452 1329160553 /nfs/dbraw/zinc/16/05/53/1329160553.db2.gz RXJUSVWFYUNMEW-MAUKXSAKSA-N 2 0 327.488 2.650 10 30 EFEERP C=CC[C@@H](C)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001307503622 1324770800 /nfs/dbraw/zinc/77/08/00/1324770800.db2.gz IYGUURMGBYIRNT-GOSISDBHSA-N 2 0 343.515 2.911 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316708600 1324963264 /nfs/dbraw/zinc/96/32/64/1324963264.db2.gz OCBYVHBBKVEKLS-KURKYZTESA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001316752148 1325107930 /nfs/dbraw/zinc/10/79/30/1325107930.db2.gz IAIWITTWGDYMNT-QYZOEREBSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001316905182 1325311892 /nfs/dbraw/zinc/31/18/92/1325311892.db2.gz ZGGCBEUDIHBQKS-JKSUJKDBSA-N 2 0 327.900 2.584 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317043106 1325511080 /nfs/dbraw/zinc/51/10/80/1325511080.db2.gz HWCIFKRNUVXQEJ-INIZCTEOSA-N 2 0 326.444 2.613 10 30 EFEERP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106657 1325577686 /nfs/dbraw/zinc/57/76/86/1325577686.db2.gz YSDXQROHSYYCGK-QUCCMNQESA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317120738 1325587587 /nfs/dbraw/zinc/58/75/87/1325587587.db2.gz ZAVLYALHHCIUSA-KDURUIRLSA-N 2 0 329.488 2.607 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317191621 1327712005 /nfs/dbraw/zinc/71/20/05/1327712005.db2.gz IPHSGXBGLGJEHM-LPHOPBHVSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317203406 1327734134 /nfs/dbraw/zinc/73/41/34/1327734134.db2.gz LCCWETKYSMOISM-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC#Cc1ccccc1 ZINC001317293540 1327827357 /nfs/dbraw/zinc/82/73/57/1327827357.db2.gz HBZPEGPQOLCBBG-GOSISDBHSA-N 2 0 349.478 2.508 10 30 EFEERP CC[N@H+](C)CCC(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317410622 1327960095 /nfs/dbraw/zinc/96/00/95/1327960095.db2.gz KGRSEABICQTMHG-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317426893 1327996048 /nfs/dbraw/zinc/99/60/48/1327996048.db2.gz JVXXZEFVYLKALC-IBGZPJMESA-N 2 0 333.520 2.635 10 30 EFEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001317672054 1328265778 /nfs/dbraw/zinc/26/57/78/1328265778.db2.gz QLTSZFVPRRXWAH-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001317684127 1328286841 /nfs/dbraw/zinc/28/68/41/1328286841.db2.gz GISMUUQKVYWQMO-KRWDZBQOSA-N 2 0 343.515 2.807 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001317712207 1328320798 /nfs/dbraw/zinc/32/07/98/1328320798.db2.gz WVOBDHZHAVUEIL-PXNSSMCTSA-N 2 0 341.499 2.532 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001317720652 1328329329 /nfs/dbraw/zinc/32/93/29/1328329329.db2.gz JWWQGBWUDKLRSU-LJQANCHMSA-N 2 0 334.423 2.889 10 30 EFEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317766584 1328363707 /nfs/dbraw/zinc/36/37/07/1328363707.db2.gz FOELNDBZUUBOKF-FQEVSTJZSA-N 2 0 341.499 2.698 10 30 EFEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317876345 1328432319 /nfs/dbraw/zinc/43/23/19/1328432319.db2.gz GKLSIRMVGOFSHR-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001317877200 1328433753 /nfs/dbraw/zinc/43/37/53/1328433753.db2.gz UONYYWQBRMLHIO-RBUKOAKNSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCO[C@@H]1CC[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001322278198 1329442760 /nfs/dbraw/zinc/44/27/60/1329442760.db2.gz VQVSQZXMPRXPRM-WOJBJXKFSA-N 2 0 330.472 2.554 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001322344975 1329450130 /nfs/dbraw/zinc/45/01/30/1329450130.db2.gz ITDWDPQNCHWCPE-ZWKOTPCHSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001323258590 1329528085 /nfs/dbraw/zinc/52/80/85/1329528085.db2.gz NSAALPMBVRBBIV-PBHICJAKSA-N 2 0 326.444 2.802 10 30 EFEERP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323638266 1329557366 /nfs/dbraw/zinc/55/73/66/1329557366.db2.gz QFKULIYQMKOAGT-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001323658250 1329559413 /nfs/dbraw/zinc/55/94/13/1329559413.db2.gz SJDNEDSNFPUNDK-YQQQUEKLSA-N 2 0 345.531 2.776 10 30 EFEERP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323813046 1329574051 /nfs/dbraw/zinc/57/40/51/1329574051.db2.gz NJWVVGYZLPDMAQ-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001323844392 1329577297 /nfs/dbraw/zinc/57/72/97/1329577297.db2.gz KKXGECHKUIGUCC-AZUAARDMSA-N 2 0 335.536 2.975 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001323858647 1329579873 /nfs/dbraw/zinc/57/98/73/1329579873.db2.gz QHBRFCPSKUWEGO-MJGOQNOKSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001324226445 1329609664 /nfs/dbraw/zinc/60/96/64/1329609664.db2.gz RZIOJHNKQOBBAY-LJQANCHMSA-N 2 0 329.488 2.561 10 30 EFEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001324332782 1329617507 /nfs/dbraw/zinc/61/75/07/1329617507.db2.gz CAQVXZDYTRDTET-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001324431916 1329626959 /nfs/dbraw/zinc/62/69/59/1329626959.db2.gz KENSGCZVFKGQQC-GHOSXJJBSA-N 2 0 345.531 2.611 10 30 EFEERP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001324556715 1329639250 /nfs/dbraw/zinc/63/92/50/1329639250.db2.gz KXHSKCKWRPLZNJ-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001324557606 1329639874 /nfs/dbraw/zinc/63/98/74/1329639874.db2.gz STBALPZSORHLCL-NRFANRHFSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001325508699 1329692978 /nfs/dbraw/zinc/69/29/78/1329692978.db2.gz LIASHPCBNUWIGY-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001325656267 1329704093 /nfs/dbraw/zinc/70/40/93/1329704093.db2.gz MKQLXIACEJBOPH-QWFCFKBJSA-N 2 0 347.547 2.807 10 30 EFEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001325694145 1329707008 /nfs/dbraw/zinc/70/70/08/1329707008.db2.gz SAIAANMWPBKYLC-SFHVURJKSA-N 2 0 349.906 2.842 10 30 EFEERP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001325750914 1329710402 /nfs/dbraw/zinc/71/04/02/1329710402.db2.gz FGEUCJGAWCTRAI-KDURUIRLSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001325900936 1329722994 /nfs/dbraw/zinc/72/29/94/1329722994.db2.gz UJCFDUYCNFAMRO-OKZBNKHCSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001325902156 1329723265 /nfs/dbraw/zinc/72/32/65/1329723265.db2.gz ZZTIHMCGSZTUIM-WJFTUGDTSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001325945779 1329727116 /nfs/dbraw/zinc/72/71/16/1329727116.db2.gz IXRUNPOWRHNOKG-JAZQRGJZSA-N 2 0 347.547 2.994 10 30 EFEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001326482796 1329759882 /nfs/dbraw/zinc/75/98/82/1329759882.db2.gz ZTJQTMIBBMVWMC-MRXNPFEDSA-N 2 0 329.488 2.871 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001326592741 1330323429 /nfs/dbraw/zinc/32/34/29/1330323429.db2.gz WLBPXWYYNUPAHO-QYZOEREBSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001326821259 1330369009 /nfs/dbraw/zinc/36/90/09/1330369009.db2.gz BHTYELCXKPPASP-QGZVFWFLSA-N 2 0 333.520 2.846 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300053 1330454702 /nfs/dbraw/zinc/45/47/02/1330454702.db2.gz SMSBEWPIYXMDCF-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001327307450 1330456739 /nfs/dbraw/zinc/45/67/39/1330456739.db2.gz CZEGYZNBAWEKPW-OALUTQOASA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001327307909 1330456778 /nfs/dbraw/zinc/45/67/78/1330456778.db2.gz HCTVJHMFWMJAOE-RBUKOAKNSA-N 2 0 344.503 2.942 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001327539661 1330496654 /nfs/dbraw/zinc/49/66/54/1330496654.db2.gz BXKJVDZCHXZRCU-ICSRJNTNSA-N 2 0 345.531 2.751 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001328079658 1330551154 /nfs/dbraw/zinc/55/11/54/1330551154.db2.gz DMJQQNOHLOBTGI-SFHVURJKSA-N 2 0 347.547 2.879 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001328588340 1330605698 /nfs/dbraw/zinc/60/56/98/1330605698.db2.gz CTSXHDKDZOZRTQ-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001328795722 1330632874 /nfs/dbraw/zinc/63/28/74/1330632874.db2.gz DFZMBVBSUNZVNL-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001328870065 1330642145 /nfs/dbraw/zinc/64/21/45/1330642145.db2.gz ZDAYLSVYOOQOIP-TVPLGVNVSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)CC[NH2+]CC1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001328961794 1330650738 /nfs/dbraw/zinc/65/07/38/1330650738.db2.gz XLOQABIAWJQUOP-UHFFFAOYSA-N 2 0 329.488 2.812 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203473 1330680740 /nfs/dbraw/zinc/68/07/40/1330680740.db2.gz SXPKKQXDVCADOV-JKSUJKDBSA-N 2 0 349.906 2.515 10 30 EFEERP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329923461 1330752151 /nfs/dbraw/zinc/75/21/51/1330752151.db2.gz LKNHKVWIEZPSDT-RBUKOAKNSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001331031565 1330786090 /nfs/dbraw/zinc/78/60/90/1330786090.db2.gz XDWXPWINOCSUHQ-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001331175882 1330801895 /nfs/dbraw/zinc/80/18/95/1330801895.db2.gz DPGYHCMPHCSGKS-PMACEKPBSA-N 2 0 341.499 2.720 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001331361633 1330828272 /nfs/dbraw/zinc/82/82/72/1330828272.db2.gz RLSPFUOOUHUFLH-RBUKOAKNSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001331944436 1330894717 /nfs/dbraw/zinc/89/47/17/1330894717.db2.gz QDOKZOCLJRLMKN-DOTOQJQBSA-N 2 0 333.476 2.890 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCCC)[C@@H]2C)CC1 ZINC001331943286 1330894879 /nfs/dbraw/zinc/89/48/79/1330894879.db2.gz HODNEGNTEFOLNG-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001332099846 1330919427 /nfs/dbraw/zinc/91/94/27/1330919427.db2.gz LAWVYCMESNZVLI-NQIIRXRSSA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101300 1330920474 /nfs/dbraw/zinc/92/04/74/1330920474.db2.gz SXPJDTUNRWGNOK-TZIWHRDSSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001332110370 1330921296 /nfs/dbraw/zinc/92/12/96/1330921296.db2.gz JGHFSKRGUKZHGB-GHTZIAJQSA-N 2 0 345.531 2.942 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001332151105 1330929265 /nfs/dbraw/zinc/92/92/65/1330929265.db2.gz YGZKHFCVIUGITK-KZNAEPCWSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001332424722 1330970415 /nfs/dbraw/zinc/97/04/15/1330970415.db2.gz UYPALISRTKFPPB-HNAYVOBHSA-N 2 0 339.499 2.602 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001332460988 1330975047 /nfs/dbraw/zinc/97/50/47/1330975047.db2.gz WCFBTTGYSWIXIG-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001333471556 1331150986 /nfs/dbraw/zinc/15/09/86/1331150986.db2.gz NZZIBWUEQXKJNU-GOSISDBHSA-N 2 0 333.451 2.592 10 30 EFEERP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414060278 1335593739 /nfs/dbraw/zinc/59/37/39/1335593739.db2.gz ADVYYRQRYZYMPL-KRWDZBQOSA-N 2 0 327.472 2.932 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001366515395 1337656648 /nfs/dbraw/zinc/65/66/48/1337656648.db2.gz YAYWLERJCVKJMH-JKSUJKDBSA-N 2 0 329.916 2.734 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480741833 1337971889 /nfs/dbraw/zinc/97/18/89/1337971889.db2.gz BNJDAMVAZHKERZ-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877677 1338152246 /nfs/dbraw/zinc/15/22/46/1338152246.db2.gz YYMZCTVCLQPKGR-IRXDYDNUSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001367321184 1338618835 /nfs/dbraw/zinc/61/88/35/1338618835.db2.gz DFLMVHCCGSYGAD-HZPDHXFCSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(Cl)C[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001367436336 1338738903 /nfs/dbraw/zinc/73/89/03/1338738903.db2.gz IPYCCHSALPZVRL-UHFFFAOYSA-N 2 0 329.916 2.640 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001368127047 1339205850 /nfs/dbraw/zinc/20/58/50/1339205850.db2.gz VYEKASKFPQMZOO-JKSUJKDBSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001368829970 1339771150 /nfs/dbraw/zinc/77/11/50/1339771150.db2.gz XSWZGZIHYZJAED-HNNXBMFYSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001371800319 1340692996 /nfs/dbraw/zinc/69/29/96/1340692996.db2.gz XUTZRSQBWJTYPL-AWEZNQCLSA-N 2 0 329.916 2.876 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001373924529 1341205647 /nfs/dbraw/zinc/20/56/47/1341205647.db2.gz ZYCLIWXWUQZJNN-ULQDDVLXSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001374437739 1341920911 /nfs/dbraw/zinc/92/09/11/1341920911.db2.gz DSGNZWXPAHGYFA-CVEARBPZSA-N 2 0 329.916 2.732 10 30 EFEERP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001375913211 1343161232 /nfs/dbraw/zinc/16/12/32/1343161232.db2.gz XDDGELQOGGTQIV-JKSUJKDBSA-N 2 0 341.927 2.688 10 30 EFEERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001377846068 1344502653 /nfs/dbraw/zinc/50/26/53/1344502653.db2.gz ADYDWNDIEJPEPK-JKSUJKDBSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001378770456 1345303653 /nfs/dbraw/zinc/30/36/53/1345303653.db2.gz BTYYYAXWVLCPOJ-CVEARBPZSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001393882226 1357248462 /nfs/dbraw/zinc/24/84/62/1357248462.db2.gz KFXTYFJCQSEDJN-HZPDHXFCSA-N 2 0 329.916 2.782 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001379135268 1345613510 /nfs/dbraw/zinc/61/35/10/1345613510.db2.gz VSZCUHCNJGTBPY-JKSUJKDBSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001380443639 1347674828 /nfs/dbraw/zinc/67/48/28/1347674828.db2.gz QUEXJGQRMXDZAG-WMZOPIPTSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001394369462 1357742655 /nfs/dbraw/zinc/74/26/55/1357742655.db2.gz PTPQNUYYHBSDPA-WKILWMFISA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001394449568 1357830111 /nfs/dbraw/zinc/83/01/11/1357830111.db2.gz MPQGQNFOBCLHJN-WBVHZDCISA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001400150748 1361786488 /nfs/dbraw/zinc/78/64/88/1361786488.db2.gz CFTKGKGKHDZKAC-IRXDYDNUSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001400969413 1362307774 /nfs/dbraw/zinc/30/77/74/1362307774.db2.gz AWOBQNCOQJZOQA-CVEARBPZSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072347 1362412914 /nfs/dbraw/zinc/41/29/14/1362412914.db2.gz JCWZMMPCUSTEHD-YJBOKZPZSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001402000376 1363318525 /nfs/dbraw/zinc/31/85/25/1363318525.db2.gz OBNODACTSSLOFG-MQVJKMGUSA-N 2 0 327.900 2.581 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001402386150 1363642757 /nfs/dbraw/zinc/64/27/57/1363642757.db2.gz UYCMONZWDLCUCY-SJORKVTESA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001402788350 1364035611 /nfs/dbraw/zinc/03/56/11/1364035611.db2.gz XGHJPLQLNVULME-HNNXBMFYSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001403240957 1364453084 /nfs/dbraw/zinc/45/30/84/1364453084.db2.gz BUQIQABBSNTELZ-FUHWJXTLSA-N 2 0 349.906 2.870 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001403525550 1364731233 /nfs/dbraw/zinc/73/12/33/1364731233.db2.gz LCUILOAMMCYUPW-SJORKVTESA-N 2 0 341.927 2.828 10 30 EFEERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)[NH+](C)C ZINC001403988132 1365137722 /nfs/dbraw/zinc/13/77/22/1365137722.db2.gz LMQYGLUKOWNGOU-MSOLQXFVSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001407273862 1368687197 /nfs/dbraw/zinc/68/71/97/1368687197.db2.gz KWGZIITWSVOZSK-UHFFFAOYSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001418931138 1374696633 /nfs/dbraw/zinc/69/66/33/1374696633.db2.gz CXKSVGRODACVDR-IAGOWNOFSA-N 2 0 341.927 2.641 10 30 EFEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001419413661 1375240729 /nfs/dbraw/zinc/24/07/29/1375240729.db2.gz GMURVNKODQCYEI-HZPDHXFCSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001438296983 1388490032 /nfs/dbraw/zinc/49/00/32/1388490032.db2.gz BMPVSRSTIFOHOA-HZPDHXFCSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001420748639 1377594430 /nfs/dbraw/zinc/59/44/30/1377594430.db2.gz VMOWLNMUTJMZEF-ZBFHGGJFSA-N 2 0 347.906 2.636 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001421010411 1378016968 /nfs/dbraw/zinc/01/69/68/1378016968.db2.gz ZFEMYTOVIMHGNE-IRXDYDNUSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001422015579 1379485720 /nfs/dbraw/zinc/48/57/20/1379485720.db2.gz TVUBUTYXJRAYKV-HRCADAONSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001423170419 1381495995 /nfs/dbraw/zinc/49/59/95/1381495995.db2.gz LUJGGPBPRXILPN-HZPDHXFCSA-N 2 0 329.916 2.686 10 30 EFEERP CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)C[NH+](C)C(C)C ZINC001423578251 1382105813 /nfs/dbraw/zinc/10/58/13/1382105813.db2.gz NZUMWEXNNCWGHO-UHFFFAOYSA-N 2 0 344.503 2.567 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C(C)(C)C ZINC001423599001 1382142981 /nfs/dbraw/zinc/14/29/81/1382142981.db2.gz FPRKKFIRUYOZGD-GJZGRUSLSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278630 1382916997 /nfs/dbraw/zinc/91/69/97/1382916997.db2.gz KUXILARRDWBRII-IRXDYDNUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001424493849 1383048145 /nfs/dbraw/zinc/04/81/45/1383048145.db2.gz MXQMUJQKUDTDIY-INIZCTEOSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001425401406 1383647926 /nfs/dbraw/zinc/64/79/26/1383647926.db2.gz ASIFSIUPRFWIPA-WKILWMFISA-N 2 0 341.927 2.878 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001506865089 1406372711 /nfs/dbraw/zinc/37/27/11/1406372711.db2.gz IAMVMNLRCLPOLV-MSOLQXFVSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001506867853 1406379330 /nfs/dbraw/zinc/37/93/30/1406379330.db2.gz ZUKLCOPSPMRCOE-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001440266728 1389490640 /nfs/dbraw/zinc/49/06/40/1389490640.db2.gz GTJLGURJSGHOOL-CVEARBPZSA-N 2 0 327.900 2.582 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001506869316 1406384759 /nfs/dbraw/zinc/38/47/59/1406384759.db2.gz UDFGNBPDVRKFAB-RLLQIKCJSA-N 2 0 347.547 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001506870493 1406387994 /nfs/dbraw/zinc/38/79/94/1406387994.db2.gz PZCUMLGZJCMDQH-RLLQIKCJSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001441306642 1391244788 /nfs/dbraw/zinc/24/47/88/1391244788.db2.gz QAWUIMWEJUEUDZ-JKSUJKDBSA-N 2 0 347.906 2.589 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441617165 1391387503 /nfs/dbraw/zinc/38/75/03/1391387503.db2.gz IXTBBWDQWHMTEG-IRXDYDNUSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1(C)C ZINC001441921065 1391439220 /nfs/dbraw/zinc/43/92/20/1391439220.db2.gz DIVYQGCUYUZCIQ-HUUCEWRRSA-N 2 0 329.916 2.686 10 30 EFEERP C=CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001506979192 1406540787 /nfs/dbraw/zinc/54/07/87/1406540787.db2.gz BXYZBUDUSVFBGO-BHIYHBOVSA-N 2 0 329.488 2.740 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001506978581 1406539496 /nfs/dbraw/zinc/53/94/96/1406539496.db2.gz ADJIYBJOVJLSNI-WOJBJXKFSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001507012420 1406587808 /nfs/dbraw/zinc/58/78/08/1406587808.db2.gz RKMHMNAFZWTRDF-RTBURBONSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001507012410 1406588229 /nfs/dbraw/zinc/58/82/29/1406588229.db2.gz RKMHMNAFZWTRDF-MOPGFXCFSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460888035 1396266577 /nfs/dbraw/zinc/26/65/77/1396266577.db2.gz YFWAHXXOIHUYOH-RBUKOAKNSA-N 2 0 329.488 2.836 10 30 EFEERP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479425682 1397722647 /nfs/dbraw/zinc/72/26/47/1397722647.db2.gz INKIYWGYJUYCSQ-VQTJNVASSA-N 2 0 341.499 2.631 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001479501653 1397739329 /nfs/dbraw/zinc/73/93/29/1397739329.db2.gz LWYYZHCEWHUMMU-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001479504465 1397739766 /nfs/dbraw/zinc/73/97/66/1397739766.db2.gz RLRMPJBLAVMRGZ-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001479504450 1397739835 /nfs/dbraw/zinc/73/98/35/1397739835.db2.gz RLRMPJBLAVMRGZ-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001479504484 1397739861 /nfs/dbraw/zinc/73/98/61/1397739861.db2.gz RLRMPJBLAVMRGZ-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479521920 1397749408 /nfs/dbraw/zinc/74/94/08/1397749408.db2.gz JANFVQCXUYQREQ-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479525020 1397750648 /nfs/dbraw/zinc/75/06/48/1397750648.db2.gz DAFUYASETOLYHD-YLJYHZDGSA-N 2 0 347.547 2.901 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001479745606 1397802694 /nfs/dbraw/zinc/80/26/94/1397802694.db2.gz NQCLTFBFXLSZIS-MSOLQXFVSA-N 2 0 335.536 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCC2CCCCC2)CC1 ZINC001479815987 1397910937 /nfs/dbraw/zinc/91/09/37/1397910937.db2.gz PWNJRTSGFVBVGY-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]CCCC=C)CC1 ZINC001479835334 1397930119 /nfs/dbraw/zinc/93/01/19/1397930119.db2.gz VSAJGLHPYUFDLK-ICSRJNTNSA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001479893897 1398006609 /nfs/dbraw/zinc/00/66/09/1398006609.db2.gz AHDZPOZJMOEFLR-HKUYNNGSSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001479982393 1398068337 /nfs/dbraw/zinc/06/83/37/1398068337.db2.gz IJNBYPLUHKLOCS-SFHVURJKSA-N 2 0 345.531 2.799 10 30 EFEERP C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479988383 1398073235 /nfs/dbraw/zinc/07/32/35/1398073235.db2.gz PAILSVHKTPWWNF-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086417 1398124001 /nfs/dbraw/zinc/12/40/01/1398124001.db2.gz XVRIGEYVBDAJNI-VQIMIIECSA-N 2 0 339.499 2.555 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480826638 1398335763 /nfs/dbraw/zinc/33/57/63/1398335763.db2.gz MSUBRDQIVHLHBR-MRXNPFEDSA-N 2 0 341.927 2.974 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001507361160 1406952893 /nfs/dbraw/zinc/95/28/93/1406952893.db2.gz AUWPGNAAQQXAKG-FGTMMUONSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001507364561 1406957712 /nfs/dbraw/zinc/95/77/12/1406957712.db2.gz PFZNFZZOMBXLKK-GBESFXJTSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001493266344 1398574800 /nfs/dbraw/zinc/57/48/00/1398574800.db2.gz FGHHZWZSLBRAMR-OVKVCFKUSA-N 2 0 345.531 2.516 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001493827558 1398907737 /nfs/dbraw/zinc/90/77/37/1398907737.db2.gz NYOWDBZCTLCTSV-CQSZACIVSA-N 2 0 335.517 2.826 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001493839110 1398914622 /nfs/dbraw/zinc/91/46/22/1398914622.db2.gz COOCYVUGWLSFKI-MRXNPFEDSA-N 2 0 329.488 2.765 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001493879058 1398947974 /nfs/dbraw/zinc/94/79/74/1398947974.db2.gz UDQNGRMLNIWHTR-PMACEKPBSA-N 2 0 343.515 2.920 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001493889023 1398956487 /nfs/dbraw/zinc/95/64/87/1398956487.db2.gz MKNQBRORIKPATI-UXHICEINSA-N 2 0 341.499 2.742 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904411 1398969904 /nfs/dbraw/zinc/96/99/04/1398969904.db2.gz HEPNZFDFKGLBSD-OALUTQOASA-N 2 0 329.488 2.740 10 30 EFEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001493979378 1399032991 /nfs/dbraw/zinc/03/29/91/1399032991.db2.gz XSNOTARRKIYOKJ-FQEVSTJZSA-N 2 0 341.499 2.698 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388827 1407000729 /nfs/dbraw/zinc/00/07/29/1407000729.db2.gz VDGHMCVPSXRXPD-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494145999 1399165941 /nfs/dbraw/zinc/16/59/41/1399165941.db2.gz WCEGYGCGPGJUDB-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001494197108 1399205691 /nfs/dbraw/zinc/20/56/91/1399205691.db2.gz VSFDJZGWIZUSEJ-IBGZPJMESA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494792188 1399469871 /nfs/dbraw/zinc/46/98/71/1399469871.db2.gz RQXIKCQGNDPSEQ-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495167125 1399710360 /nfs/dbraw/zinc/71/03/60/1399710360.db2.gz FQDDBTABFKMUNP-CVEARBPZSA-N 2 0 339.911 2.774 10 30 EFEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001495482601 1400016847 /nfs/dbraw/zinc/01/68/47/1400016847.db2.gz WXRSGILKKCGSKP-QAQDUYKDSA-N 2 0 345.487 2.775 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001495509433 1400042261 /nfs/dbraw/zinc/04/22/61/1400042261.db2.gz QAEMWJCQXKHWQQ-IBGZPJMESA-N 2 0 329.488 2.843 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001495560004 1400082618 /nfs/dbraw/zinc/08/26/18/1400082618.db2.gz MMWLAJBMJFFWAL-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001495602079 1400110152 /nfs/dbraw/zinc/11/01/52/1400110152.db2.gz ZTIALCPPADHGHQ-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001495918084 1400354417 /nfs/dbraw/zinc/35/44/17/1400354417.db2.gz CFNNGKJZSHKDFN-SFHVURJKSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001496349889 1400660678 /nfs/dbraw/zinc/66/06/78/1400660678.db2.gz GEYURHUASZQPJX-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001496358780 1400670181 /nfs/dbraw/zinc/67/01/81/1400670181.db2.gz CUPMWYBGVAEVFH-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001496425703 1400723003 /nfs/dbraw/zinc/72/30/03/1400723003.db2.gz GKNYBBCYLFGAIE-IBGZPJMESA-N 2 0 333.520 2.637 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001496504609 1400779276 /nfs/dbraw/zinc/77/92/76/1400779276.db2.gz HOWWRPQTFKGBAS-UXHICEINSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001496504892 1400780225 /nfs/dbraw/zinc/78/02/25/1400780225.db2.gz LYOJHAVEBYEIET-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001496597331 1400858702 /nfs/dbraw/zinc/85/87/02/1400858702.db2.gz KYSWVQXLCAFDOK-OALUTQOASA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC/C=C/CC)CC1 ZINC001496918679 1401101888 /nfs/dbraw/zinc/10/18/88/1401101888.db2.gz QKCWEQXIWBUTDV-MNVMYWNISA-N 2 0 345.531 2.562 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001496924760 1401105336 /nfs/dbraw/zinc/10/53/36/1401105336.db2.gz RHYNPGRRPZVCDS-RBUKOAKNSA-N 2 0 329.488 2.569 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001507963821 1407225636 /nfs/dbraw/zinc/22/56/36/1407225636.db2.gz RERASAQNMYSRPF-QGZVFWFLSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498496732 1402145836 /nfs/dbraw/zinc/14/58/36/1402145836.db2.gz MWGDDJQHZWIICS-RBUKOAKNSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001498506567 1402152064 /nfs/dbraw/zinc/15/20/64/1402152064.db2.gz ZFWGMEFWPBQSKC-PMACEKPBSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001508003090 1407237485 /nfs/dbraw/zinc/23/74/85/1407237485.db2.gz GVAXZAUBZXSKQB-CVEARBPZSA-N 2 0 343.943 2.981 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001499324766 1402566077 /nfs/dbraw/zinc/56/60/77/1402566077.db2.gz NOHZSZKHNFCCCZ-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001499477505 1402632390 /nfs/dbraw/zinc/63/23/90/1402632390.db2.gz DOCLZHGFZQBQAJ-HKUYNNGSSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001499477507 1402632793 /nfs/dbraw/zinc/63/27/93/1402632793.db2.gz DOCLZHGFZQBQAJ-MJGOQNOKSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CCCCCC1 ZINC001499522475 1402658528 /nfs/dbraw/zinc/65/85/28/1402658528.db2.gz JGXOKJGQYVGVOI-VQTJNVASSA-N 2 0 345.531 2.778 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001499531207 1402666909 /nfs/dbraw/zinc/66/69/09/1402666909.db2.gz SQWSBKLXSYPAME-UXHICEINSA-N 2 0 345.531 2.892 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001499531205 1402667069 /nfs/dbraw/zinc/66/70/69/1402667069.db2.gz SQWSBKLXSYPAME-PMACEKPBSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001499606684 1402714318 /nfs/dbraw/zinc/71/43/18/1402714318.db2.gz RRANYWUYDNNPTG-QUCCMNQESA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001499618930 1402723110 /nfs/dbraw/zinc/72/31/10/1402723110.db2.gz HMUHVNRJIMINBX-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C/CC)C[C@@H]2C)CC1 ZINC001499857772 1402824453 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C=CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001500116609 1402944441 /nfs/dbraw/zinc/94/44/41/1402944441.db2.gz GEABJXLBUWQIOR-IBGZPJMESA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001500122624 1402946125 /nfs/dbraw/zinc/94/61/25/1402946125.db2.gz HXIFQKDHZMLQFH-AEFFLSMTSA-N 2 0 333.520 2.702 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001500123023 1402946785 /nfs/dbraw/zinc/94/67/85/1402946785.db2.gz PQXKFSSPEYBWAY-LJQANCHMSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001500354342 1403070838 /nfs/dbraw/zinc/07/08/38/1403070838.db2.gz PSORFLDXVVFGHS-UYAOXDASSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500393500 1403093063 /nfs/dbraw/zinc/09/30/63/1403093063.db2.gz OUHPWXPBOIWVOY-LJQANCHMSA-N 2 0 333.520 2.657 10 30 EFEERP C#CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001500433719 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HCUWPEQTTOHMAJ-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001501399422 1403587132 /nfs/dbraw/zinc/58/71/32/1403587132.db2.gz HCUWPEQTTOHMAJ-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001501425237 1403602228 /nfs/dbraw/zinc/60/22/28/1403602228.db2.gz ZUDJHVWTVNGEAW-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001501573839 1403632862 /nfs/dbraw/zinc/63/28/62/1403632862.db2.gz BNTYQQVWNUTYEK-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001501676773 1403705653 /nfs/dbraw/zinc/70/56/53/1403705653.db2.gz PGDKWZQYSKRRLI-FXAWDEMLSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001501999663 1403938985 /nfs/dbraw/zinc/93/89/85/1403938985.db2.gz BLCCKUWPLLZDJI-IBGZPJMESA-N 2 0 339.499 2.794 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001502124452 1404016538 /nfs/dbraw/zinc/01/65/38/1404016538.db2.gz RRHQZEWBGUBRDF-IAGOWNOFSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001502367231 1404105876 /nfs/dbraw/zinc/10/58/76/1404105876.db2.gz BAKKEWMWYQUZOM-SJLPKXTDSA-N 2 0 346.519 2.889 10 30 EFEERP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001502404330 1404144167 /nfs/dbraw/zinc/14/41/67/1404144167.db2.gz FQXSRYHZLLIFJT-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH+]1CCC(CCCCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001502519470 1404215576 /nfs/dbraw/zinc/21/55/76/1404215576.db2.gz LLSFHULXACJYJB-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH+]1CCC(CCCCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001502519630 1404216314 /nfs/dbraw/zinc/21/63/14/1404216314.db2.gz NXCIFXUXXRGSPL-UHFFFAOYSA-N 2 0 333.520 2.657 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001502548697 1404239416 /nfs/dbraw/zinc/23/94/16/1404239416.db2.gz ZEWXSJRFOBOQSE-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001502831262 1404383112 /nfs/dbraw/zinc/38/31/12/1404383112.db2.gz YKLNFIKDCASXIT-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001505414477 1404573058 /nfs/dbraw/zinc/57/30/58/1404573058.db2.gz HUQODHYADOIVLQ-RARDXLECSA-N 2 0 341.499 2.665 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001505415389 1404575584 /nfs/dbraw/zinc/57/55/84/1404575584.db2.gz MAPIFBWXXACGIX-HSALFYBXSA-N 2 0 341.499 2.809 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505437711 1404606236 /nfs/dbraw/zinc/60/62/36/1404606236.db2.gz XLDFLUQCVYQCBE-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001505446984 1404641135 /nfs/dbraw/zinc/64/11/35/1404641135.db2.gz WUWZMCIFXQSBNY-APWZRJJASA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001725628883 1425727259 /nfs/dbraw/zinc/72/72/59/1425727259.db2.gz LUGMAJZMRTTWOI-IPMKNSEASA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001505781280 1405060193 /nfs/dbraw/zinc/06/01/93/1405060193.db2.gz ZFFQBXKEXCXZHK-JCYILVPMSA-N 2 0 327.488 2.602 10 30 EFEERP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001505781281 1405060428 /nfs/dbraw/zinc/06/04/28/1405060428.db2.gz ZFFQBXKEXCXZHK-OFLPRAFFSA-N 2 0 327.488 2.602 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001506491022 1405843803 /nfs/dbraw/zinc/84/38/03/1405843803.db2.gz RRLZBOMMKZMDRB-MOPGFXCFSA-N 2 0 335.536 2.594 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001506526895 1405910304 /nfs/dbraw/zinc/91/03/04/1405910304.db2.gz WBAVFYGISZBMJH-UHFFFAOYSA-N 2 0 333.520 2.685 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)CCCC[NH+]2CCCC2)CCCCC1 ZINC001506532686 1405918865 /nfs/dbraw/zinc/91/88/65/1405918865.db2.gz SNMAZPFUJLEGOL-UHFFFAOYSA-N 2 0 333.520 2.685 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001506740125 1406227647 /nfs/dbraw/zinc/22/76/47/1406227647.db2.gz QKDLKQLBYJOJRJ-KZNAEPCWSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001556282318 1415061183 /nfs/dbraw/zinc/06/11/83/1415061183.db2.gz DYLQWXMIORHNCD-OAHLLOKOSA-N 2 0 343.393 2.542 10 30 EFEERP C=CCOc1cccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001560325471 1415276433 /nfs/dbraw/zinc/27/64/33/1415276433.db2.gz KSRJDAGPHGTRPT-GOSISDBHSA-N 2 0 329.488 2.510 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001565908709 1415448215 /nfs/dbraw/zinc/44/82/15/1415448215.db2.gz WOEWPJWARYUNPI-FRQCXROJSA-N 2 0 339.499 2.650 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001565943309 1415461670 /nfs/dbraw/zinc/46/16/70/1415461670.db2.gz OZYNLWXPNAQQDR-GDBMZVCRSA-N 2 0 329.916 2.686 10 30 EFEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001565984976 1415470373 /nfs/dbraw/zinc/47/03/73/1415470373.db2.gz PBVYBQXDAMNXEN-HSALFYBXSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@@H]21 ZINC001565994741 1415475104 /nfs/dbraw/zinc/47/51/04/1415475104.db2.gz JWRHWNZGXBVUAO-ZTFGCOKTSA-N 2 0 330.476 2.524 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001566002271 1415479069 /nfs/dbraw/zinc/47/90/69/1415479069.db2.gz VTYOLRLXDNLBFO-GJZGRUSLSA-N 2 0 349.441 2.519 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001566124112 1415522534 /nfs/dbraw/zinc/52/25/34/1415522534.db2.gz HCCGZVBIEHBEQQ-FQEVSTJZSA-N 2 0 343.515 2.903 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001566124402 1415523308 /nfs/dbraw/zinc/52/33/08/1415523308.db2.gz RSCRELNNLKBIJR-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)CN(CCCNC(=O)c1cc2c[nH]ccc-2n1)C1CC1 ZINC001566590266 1415674753 /nfs/dbraw/zinc/67/47/53/1415674753.db2.gz MRLJSODVHGXDKT-UHFFFAOYSA-N 2 0 332.835 2.900 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001566608970 1415692614 /nfs/dbraw/zinc/69/26/14/1415692614.db2.gz MAVJQEPYSMCWLY-MOPGFXCFSA-N 2 0 333.520 2.892 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+]([C@H](C)CCC=C)CC2)CC1 ZINC001566615091 1415696540 /nfs/dbraw/zinc/69/65/40/1415696540.db2.gz ICVOPNRAADQJHM-GOSISDBHSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001566699691 1415738395 /nfs/dbraw/zinc/73/83/95/1415738395.db2.gz JIHZXWCOYPYJCN-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001566699979 1415738552 /nfs/dbraw/zinc/73/85/52/1415738552.db2.gz UUFGSODAYJEWMT-QUCCMNQESA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001566739779 1415754065 /nfs/dbraw/zinc/75/40/65/1415754065.db2.gz JKAOGBZOLTZUNG-CEXWTWQISA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)CCCCC)C2)CC1 ZINC001566747012 1415760130 /nfs/dbraw/zinc/76/01/30/1415760130.db2.gz WJFVDKDAFXZSPH-LJQANCHMSA-N 2 0 347.547 2.692 10 30 EFEERP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001566923118 1415848873 /nfs/dbraw/zinc/84/88/73/1415848873.db2.gz LSTFLYMHCNGBBH-GOSISDBHSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955309 1415868362 /nfs/dbraw/zinc/86/83/62/1415868362.db2.gz KSXIBPWTUGWXSO-RTBURBONSA-N 2 0 345.531 2.894 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567148707 1415953416 /nfs/dbraw/zinc/95/34/16/1415953416.db2.gz SZGVVXISHKTFJC-SFHVURJKSA-N 2 0 333.520 2.513 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178991 1415973396 /nfs/dbraw/zinc/97/33/96/1415973396.db2.gz ULDAIYIKDOETPS-PMACEKPBSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660336 1416234830 /nfs/dbraw/zinc/23/48/30/1416234830.db2.gz YOXKQJVCKBAPPD-RBUKOAKNSA-N 2 0 329.488 2.884 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001567661396 1416235353 /nfs/dbraw/zinc/23/53/53/1416235353.db2.gz YCHXLELRHRPCKR-IBGZPJMESA-N 2 0 341.499 2.720 10 30 EFEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001567713160 1416258366 /nfs/dbraw/zinc/25/83/66/1416258366.db2.gz XTYKVLLIGLCGRW-PKOBYXMFSA-N 2 0 329.488 2.694 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001567752255 1416273327 /nfs/dbraw/zinc/27/33/27/1416273327.db2.gz LCXNQWGWMLKOQL-PKOBYXMFSA-N 2 0 335.536 2.853 10 30 EFEERP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001567998111 1416354692 /nfs/dbraw/zinc/35/46/92/1416354692.db2.gz AYDZYRCLJLTEAF-KRWDZBQOSA-N 2 0 333.520 2.846 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001568075657 1416397931 /nfs/dbraw/zinc/39/79/31/1416397931.db2.gz GEVUDWMHSUALNT-WOJBJXKFSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001568087327 1416403630 /nfs/dbraw/zinc/40/36/30/1416403630.db2.gz AJSJVAWICSOMED-QGZVFWFLSA-N 2 0 341.927 2.832 10 30 EFEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001568091519 1416405616 /nfs/dbraw/zinc/40/56/16/1416405616.db2.gz BJRDVRVEIQBEER-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001568121268 1416418041 /nfs/dbraw/zinc/41/80/41/1416418041.db2.gz SUYDKZPWMVGNHK-FQEVSTJZSA-N 2 0 347.478 2.791 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001568130002 1416420706 /nfs/dbraw/zinc/42/07/06/1416420706.db2.gz PINYJVVTJUQYLG-RBUKOAKNSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001568131353 1416421203 /nfs/dbraw/zinc/42/12/03/1416421203.db2.gz BTBKMYGFLLFFGC-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001568155148 1416427114 /nfs/dbraw/zinc/42/71/14/1416427114.db2.gz DZAGWCZBQIICJL-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001568155147 1416427607 /nfs/dbraw/zinc/42/76/07/1416427607.db2.gz DZAGWCZBQIICJL-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001568235374 1416450629 /nfs/dbraw/zinc/45/06/29/1416450629.db2.gz MTZILGPLVVUTLO-FUHWJXTLSA-N 2 0 333.520 2.702 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568394535 1416511495 /nfs/dbraw/zinc/51/14/95/1416511495.db2.gz ITGAASPLMGIITK-RBUKOAKNSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568394536 1416511561 /nfs/dbraw/zinc/51/15/61/1416511561.db2.gz ITGAASPLMGIITK-RTBURBONSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568394533 1416511781 /nfs/dbraw/zinc/51/17/81/1416511781.db2.gz ITGAASPLMGIITK-MOPGFXCFSA-N 2 0 333.520 2.635 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001568409184 1416519790 /nfs/dbraw/zinc/51/97/90/1416519790.db2.gz JVCCJUJLARYZQR-PKOBYXMFSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCC[N@@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001691752082 1416665963 /nfs/dbraw/zinc/66/59/63/1416665963.db2.gz YNFINQZQGCSVBC-LJQANCHMSA-N 2 0 341.515 2.992 10 30 EFEERP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001690027557 1417138573 /nfs/dbraw/zinc/13/85/73/1417138573.db2.gz QAXWRBVEQSCMNT-UHFFFAOYSA-N 2 0 343.515 2.660 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001690356620 1417195004 /nfs/dbraw/zinc/19/50/04/1417195004.db2.gz PHMSNZSCMDOPKL-OAFZBRQQSA-N 2 0 339.499 2.790 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393876 1417209135 /nfs/dbraw/zinc/20/91/35/1417209135.db2.gz NVEVNRNRYPHCGQ-RTBURBONSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690748267 1417238131 /nfs/dbraw/zinc/23/81/31/1417238131.db2.gz SLXVWIHXHSEPOY-HKUYNNGSSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001691837579 1417249851 /nfs/dbraw/zinc/24/98/51/1417249851.db2.gz HWZLNRFDORVTMP-KURKYZTESA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001691837580 1417249991 /nfs/dbraw/zinc/24/99/91/1417249991.db2.gz HWZLNRFDORVTMP-SQNIBIBYSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001691938141 1417251499 /nfs/dbraw/zinc/25/14/99/1417251499.db2.gz HXCWPYNQRGJWGH-QXAKKESOSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001692153563 1417256970 /nfs/dbraw/zinc/25/69/70/1417256970.db2.gz QTPOQAIPQJHMRK-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001692257476 1417269971 /nfs/dbraw/zinc/26/99/71/1417269971.db2.gz FOXZPMXAWSKHRY-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001692335976 1417279304 /nfs/dbraw/zinc/27/93/04/1417279304.db2.gz CCWBVQVQLCUVSH-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001698719465 1417319923 /nfs/dbraw/zinc/31/99/23/1417319923.db2.gz OWPDDBYYBSSZPH-LJQANCHMSA-N 2 0 329.488 2.699 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001698719464 1417320443 /nfs/dbraw/zinc/32/04/43/1417320443.db2.gz OWPDDBYYBSSZPH-IBGZPJMESA-N 2 0 329.488 2.699 10 30 EFEERP C#CC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001698727071 1417321071 /nfs/dbraw/zinc/32/10/71/1417321071.db2.gz QUSHEYUPEDFCIN-UHFFFAOYSA-N 2 0 345.487 2.587 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698752126 1417328601 /nfs/dbraw/zinc/32/86/01/1417328601.db2.gz HYSGXVXSQDZRJJ-LSDHHAIUSA-N 2 0 328.460 2.953 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699021429 1417373051 /nfs/dbraw/zinc/37/30/51/1417373051.db2.gz JSOWMGQNQKRYPL-WMZOPIPTSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672803 1417446251 /nfs/dbraw/zinc/44/62/51/1417446251.db2.gz FITVQLMJEFABSQ-UXHICEINSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001699696807 1417457187 /nfs/dbraw/zinc/45/71/87/1417457187.db2.gz JJZPQUZWOBHKSU-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001699852158 1417479285 /nfs/dbraw/zinc/47/92/85/1417479285.db2.gz TWPXSOJMJNEPJN-FQEVSTJZSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001699865856 1417484723 /nfs/dbraw/zinc/48/47/23/1417484723.db2.gz KXZHJTGZQLDMEN-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001699875898 1417492432 /nfs/dbraw/zinc/49/24/32/1417492432.db2.gz WZOGDWARUSIZLX-QUCCMNQESA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991154 1417539669 /nfs/dbraw/zinc/53/96/69/1417539669.db2.gz BDDGLRIFCAOEOA-ZGXWSNOMSA-N 2 0 347.547 2.996 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001700020098 1417541409 /nfs/dbraw/zinc/54/14/09/1417541409.db2.gz JPFXDIKVMRZRRI-IPMKNSEASA-N 2 0 335.536 2.831 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001700089857 1417561902 /nfs/dbraw/zinc/56/19/02/1417561902.db2.gz CKYLROYQNNUEJI-VQTJNVASSA-N 2 0 341.499 2.938 10 30 EFEERP C#CCC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001700708924 1417624475 /nfs/dbraw/zinc/62/44/75/1417624475.db2.gz ABOTWJXJFIGJEU-RLLQIKCJSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001700898751 1417683802 /nfs/dbraw/zinc/68/38/02/1417683802.db2.gz PHKGFXGALXYDPL-QZTJIDSGSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001713204600 1418375219 /nfs/dbraw/zinc/37/52/19/1418375219.db2.gz AJEYAVAFVBDLSK-ZYSHUDEJSA-N 2 0 333.520 2.700 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224667 1418397566 /nfs/dbraw/zinc/39/75/66/1418397566.db2.gz ZPBPJEOYEFCXBU-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCCCC ZINC001713271296 1418438582 /nfs/dbraw/zinc/43/85/82/1418438582.db2.gz IEKVVEBKZWPXGR-WOJBJXKFSA-N 2 0 347.547 2.977 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001713432977 1418526486 /nfs/dbraw/zinc/52/64/86/1418526486.db2.gz PEFISNDJMDRTAH-MJGOQNOKSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001714135270 1418583455 /nfs/dbraw/zinc/58/34/55/1418583455.db2.gz KMGBARZSTNFTKD-HXUWFJFHSA-N 2 0 343.515 2.951 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(CC)CC)[C@H](C)C2)CC1 ZINC001715096002 1418651204 /nfs/dbraw/zinc/65/12/04/1418651204.db2.gz ZBIGNJPSXNCRTG-XLIONFOSSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001715417567 1418674374 /nfs/dbraw/zinc/67/43/74/1418674374.db2.gz NCDHJCZGCQOGSJ-PXNSSMCTSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001715417573 1418674534 /nfs/dbraw/zinc/67/45/34/1418674534.db2.gz NCDHJCZGCQOGSJ-XLIONFOSSA-N 2 0 343.515 2.807 10 30 EFEERP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001716704177 1418963593 /nfs/dbraw/zinc/96/35/93/1418963593.db2.gz NRIUSOFIIVFGFV-HXUWFJFHSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001716726445 1418977346 /nfs/dbraw/zinc/97/73/46/1418977346.db2.gz LEQUXAJDCSOTAD-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716732004 1418982104 /nfs/dbraw/zinc/98/21/04/1418982104.db2.gz OJRMUSDKZUNVCC-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001716735414 1418984439 /nfs/dbraw/zinc/98/44/39/1418984439.db2.gz POJWRVGJLMVKJO-HXUWFJFHSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001716806021 1419020277 /nfs/dbraw/zinc/02/02/77/1419020277.db2.gz JXYKZDGDQIHRCO-HTJOGQSXSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCCCC)CC1 ZINC001716810032 1419023448 /nfs/dbraw/zinc/02/34/48/1419023448.db2.gz BDAYVFAEUHDXOB-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CC=C(C)C)CC1 ZINC001716809950 1419023468 /nfs/dbraw/zinc/02/34/68/1419023468.db2.gz YFQQLHKATMHAQD-OALUTQOASA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001716810681 1419024469 /nfs/dbraw/zinc/02/44/69/1419024469.db2.gz ZQLHOPPTBAEBAP-ICSRJNTNSA-N 2 0 343.515 2.506 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001716823651 1419033101 /nfs/dbraw/zinc/03/31/01/1419033101.db2.gz LRPSEESEZITFFT-LJQANCHMSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001716829826 1419036817 /nfs/dbraw/zinc/03/68/17/1419036817.db2.gz DEWNJTZDFDVJIP-SFHLNBCPSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001716830397 1419038193 /nfs/dbraw/zinc/03/81/93/1419038193.db2.gz OLQCATBNKSLJIQ-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001716869698 1419065984 /nfs/dbraw/zinc/06/59/84/1419065984.db2.gz WBOUXVIETVXRPS-ICSRJNTNSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001716885610 1419074643 /nfs/dbraw/zinc/07/46/43/1419074643.db2.gz XWWIGEAJNTWWGX-IBGZPJMESA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716896531 1419083985 /nfs/dbraw/zinc/08/39/85/1419083985.db2.gz UMMVNSVIIJARPU-UYAOXDASSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716896529 1419084298 /nfs/dbraw/zinc/08/42/98/1419084298.db2.gz UMMVNSVIIJARPU-QUCCMNQESA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001716910165 1419091834 /nfs/dbraw/zinc/09/18/34/1419091834.db2.gz DADFMPPYFMVZEZ-HZPDHXFCSA-N 2 0 343.462 2.510 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001716987477 1419126592 /nfs/dbraw/zinc/12/65/92/1419126592.db2.gz KTQZRJHYXIBEDK-HKUYNNGSSA-N 2 0 343.515 2.665 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001716991821 1419128731 /nfs/dbraw/zinc/12/87/31/1419128731.db2.gz HODKXSUANWAVEL-QFBILLFUSA-N 2 0 329.488 2.622 10 30 EFEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001717000348 1419135561 /nfs/dbraw/zinc/13/55/61/1419135561.db2.gz MPKVLXKIGOIBSB-REPLKXPHSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717004508 1419140350 /nfs/dbraw/zinc/14/03/50/1419140350.db2.gz OGGULFQICFYJJD-UAFMIMERSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001717036509 1419169184 /nfs/dbraw/zinc/16/91/84/1419169184.db2.gz URKWCMLTFACUSO-VQTJNVASSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717042911 1419176643 /nfs/dbraw/zinc/17/66/43/1419176643.db2.gz MCLLTPXCLVBRGD-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717101780 1419208866 /nfs/dbraw/zinc/20/88/66/1419208866.db2.gz SUWCWDLAWITDTR-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717106275 1419212246 /nfs/dbraw/zinc/21/22/46/1419212246.db2.gz MFRWGQXHJMDWRT-ICSRJNTNSA-N 2 0 341.499 2.531 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001717115415 1419219231 /nfs/dbraw/zinc/21/92/31/1419219231.db2.gz LQORTMOQFVGYRE-QGZVFWFLSA-N 2 0 341.499 2.851 10 30 EFEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001717117408 1419221204 /nfs/dbraw/zinc/22/12/04/1419221204.db2.gz RQPXCSOKJWXBFD-HDICACEKSA-N 2 0 341.499 2.631 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001717122339 1419224587 /nfs/dbraw/zinc/22/45/87/1419224587.db2.gz AGILBNXEXWZCJX-VJANTYMQSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001717128541 1419227807 /nfs/dbraw/zinc/22/78/07/1419227807.db2.gz DNVSVTVNKQQBFY-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001717245016 1419286960 /nfs/dbraw/zinc/28/69/60/1419286960.db2.gz LUCRRJOSUGJMIN-HXUWFJFHSA-N 2 0 343.515 2.838 10 30 EFEERP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001717247916 1419290963 /nfs/dbraw/zinc/29/09/63/1419290963.db2.gz RBRQSNVJQMBIIH-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310374 1419322821 /nfs/dbraw/zinc/32/28/21/1419322821.db2.gz GMMSHPGOIPPLTL-DLBZAZTESA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001717311561 1419323629 /nfs/dbraw/zinc/32/36/29/1419323629.db2.gz CUWGJLHUWHWRGJ-RBUKOAKNSA-N 2 0 341.499 2.529 10 30 EFEERP CC#CC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001717348307 1419347505 /nfs/dbraw/zinc/34/75/05/1419347505.db2.gz BLEUGRBRFQPNFB-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001717371486 1419363504 /nfs/dbraw/zinc/36/35/04/1419363504.db2.gz QDHNSYGBLSSWPG-PMACEKPBSA-N 2 0 345.531 2.730 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]C[C@H](C)CC)CC2)CC1 ZINC001717449632 1419399003 /nfs/dbraw/zinc/39/90/03/1419399003.db2.gz IYTNEFPPZORWLI-QHGAOEGBSA-N 2 0 347.547 2.737 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001717516537 1419423528 /nfs/dbraw/zinc/42/35/28/1419423528.db2.gz JXHYZPOPWAJELZ-IBGZPJMESA-N 2 0 335.536 2.593 10 30 EFEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001717523761 1419426807 /nfs/dbraw/zinc/42/68/07/1419426807.db2.gz DFWCSGMOVFJQQA-ROUUACIJSA-N 2 0 333.520 2.988 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001717525348 1419427692 /nfs/dbraw/zinc/42/76/92/1419427692.db2.gz NBNANHFOQWGNOK-SFHVURJKSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001717527202 1419428488 /nfs/dbraw/zinc/42/84/88/1419428488.db2.gz XOHXNDZYVWDOFM-QGZVFWFLSA-N 2 0 333.520 2.846 10 30 EFEERP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001717538097 1419434161 /nfs/dbraw/zinc/43/41/61/1419434161.db2.gz OMFZFVWIOXZSOG-GOSISDBHSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001717538098 1419434194 /nfs/dbraw/zinc/43/41/94/1419434194.db2.gz OMFZFVWIOXZSOG-SFHVURJKSA-N 2 0 333.520 2.942 10 30 EFEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001717604235 1419465682 /nfs/dbraw/zinc/46/56/82/1419465682.db2.gz OWZGPVODKBFMIN-YSTOQKLRSA-N 2 0 341.499 2.550 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001717626396 1419475932 /nfs/dbraw/zinc/47/59/32/1419475932.db2.gz HECKWRXCHTXIJW-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001717628306 1419477459 /nfs/dbraw/zinc/47/74/59/1419477459.db2.gz QKOZJXVSILVWEE-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001717630293 1419478399 /nfs/dbraw/zinc/47/83/99/1419478399.db2.gz LEVPNCCPBMVUFB-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001717632273 1419480732 /nfs/dbraw/zinc/48/07/32/1419480732.db2.gz FNLLWUWTJRCSTD-SESVDKBCSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717640901 1419483822 /nfs/dbraw/zinc/48/38/22/1419483822.db2.gz OILWUWXZUPGCFT-BZSNNMDCSA-N 2 0 333.520 2.702 10 30 EFEERP C[C@@H](CCC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001717682743 1419503496 /nfs/dbraw/zinc/50/34/96/1419503496.db2.gz IZHRWDTZWSYVLL-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2=CCCCC2)CC1 ZINC001717695221 1419511387 /nfs/dbraw/zinc/51/13/87/1419511387.db2.gz CUTYZVNTZLPIHE-GOSISDBHSA-N 2 0 345.531 2.707 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717874653 1419596767 /nfs/dbraw/zinc/59/67/67/1419596767.db2.gz FYLQVWPBZHGLFG-ROUUACIJSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001717897922 1419608248 /nfs/dbraw/zinc/60/82/48/1419608248.db2.gz XPVBSWAURFEOKE-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001717901519 1419610467 /nfs/dbraw/zinc/61/04/67/1419610467.db2.gz DPPGYBPRGZOSRC-SFHVURJKSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033883 1419672072 /nfs/dbraw/zinc/67/20/72/1419672072.db2.gz YXENGDYIYZXTAL-SFHVURJKSA-N 2 0 333.520 2.965 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001718034966 1419672795 /nfs/dbraw/zinc/67/27/95/1419672795.db2.gz VDMXHZQXSHGEQP-QGZVFWFLSA-N 2 0 333.451 2.592 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605592 1424530244 /nfs/dbraw/zinc/53/02/44/1424530244.db2.gz AFVCEKNABRTJKI-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001723610112 1424534987 /nfs/dbraw/zinc/53/49/87/1424534987.db2.gz YZDNDEWWEIGKGH-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001723614692 1424536860 /nfs/dbraw/zinc/53/68/60/1424536860.db2.gz LGBSSJPVMNRTBH-XUBOLADHSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001723616299 1424537190 /nfs/dbraw/zinc/53/71/90/1424537190.db2.gz BMHBNEMOAHSRBI-DWBSNAHUSA-N 2 0 333.520 2.795 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001723631691 1424539809 /nfs/dbraw/zinc/53/98/09/1424539809.db2.gz BUDRCMIXOHRBMQ-QRVBRYPASA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001723631725 1424540208 /nfs/dbraw/zinc/54/02/08/1424540208.db2.gz CDZQSGRBJDGGKZ-YDZRNGNQSA-N 2 0 333.520 2.748 10 30 EFEERP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001723742050 1424572713 /nfs/dbraw/zinc/57/27/13/1424572713.db2.gz IVENBOQIYAKOOZ-OAQYLSRUSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001723820783 1424584777 /nfs/dbraw/zinc/58/47/77/1424584777.db2.gz UPXBECGQYFSNDQ-INIZCTEOSA-N 2 0 329.488 2.859 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H](C)C1 ZINC001723864659 1424598809 /nfs/dbraw/zinc/59/88/09/1424598809.db2.gz XBKAIIUMYLZGDV-ICSRJNTNSA-N 2 0 343.515 2.706 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CC(C)C)CC1 ZINC001724046996 1424634710 /nfs/dbraw/zinc/63/47/10/1424634710.db2.gz IWRZGQIBMDEUIK-AZUAARDMSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724064667 1424642909 /nfs/dbraw/zinc/64/29/09/1424642909.db2.gz HLUSQQYYYDGABS-OALUTQOASA-N 2 0 345.531 2.752 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724094265 1424653473 /nfs/dbraw/zinc/65/34/73/1424653473.db2.gz HITWNZIGBLOPGQ-PMACEKPBSA-N 2 0 345.531 2.681 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC001724097290 1424656042 /nfs/dbraw/zinc/65/60/42/1424656042.db2.gz IYOXXLLXZYQWCX-FQEVSTJZSA-N 2 0 347.547 2.929 10 30 EFEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724341060 1424741889 /nfs/dbraw/zinc/74/18/89/1424741889.db2.gz PNBOGHNSKPLDGA-HXUWFJFHSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724555019 1424794656 /nfs/dbraw/zinc/79/46/56/1424794656.db2.gz PADFAXMPCYKYSR-XLIONFOSSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564997 1424799278 /nfs/dbraw/zinc/79/92/78/1424799278.db2.gz WFCWMMCCDAXZRY-VQIMIIECSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001724607092 1424825003 /nfs/dbraw/zinc/82/50/03/1424825003.db2.gz NMZAPPFZPHCHKP-FHWLQOOXSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001724612249 1424831006 /nfs/dbraw/zinc/83/10/06/1424831006.db2.gz DPORUJYQSUJDSY-GGPHIMKMSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001724613336 1424834652 /nfs/dbraw/zinc/83/46/52/1424834652.db2.gz UNUVWAVRHLMFSK-FHWLQOOXSA-N 2 0 335.536 2.807 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001724647309 1424876096 /nfs/dbraw/zinc/87/60/96/1424876096.db2.gz IZXTZKBALOVUGE-OTWHNJEPSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001724655820 1424890636 /nfs/dbraw/zinc/89/06/36/1424890636.db2.gz MSJOXJNJIPRZEP-MOPGFXCFSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659501 1424900323 /nfs/dbraw/zinc/90/03/23/1424900323.db2.gz VNSORSZHMJGIGK-VQTJNVASSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001724737589 1424963433 /nfs/dbraw/zinc/96/34/33/1424963433.db2.gz QHTYKVIKFPATGO-HXUWFJFHSA-N 2 0 341.499 2.653 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001724749622 1424979086 /nfs/dbraw/zinc/97/90/86/1424979086.db2.gz OXBDMPVJFFTRFY-QGZVFWFLSA-N 2 0 341.499 2.851 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724753720 1424983690 /nfs/dbraw/zinc/98/36/90/1424983690.db2.gz CVZAMZWMBPQRCB-NCXUSEDFSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001724782913 1425009964 /nfs/dbraw/zinc/00/99/64/1425009964.db2.gz FQCMLJHRKNXUDE-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001724863275 1425079528 /nfs/dbraw/zinc/07/95/28/1425079528.db2.gz ORHJLFCJUIXBTC-WOJBJXKFSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001724867946 1425083419 /nfs/dbraw/zinc/08/34/19/1425083419.db2.gz NWCHXERSQHFIQG-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001724898101 1425116165 /nfs/dbraw/zinc/11/61/65/1425116165.db2.gz LSTMRLNXFBZFFR-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001724948988 1425157419 /nfs/dbraw/zinc/15/74/19/1425157419.db2.gz QUWPBEAONLCTSJ-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725343523 1425492147 /nfs/dbraw/zinc/49/21/47/1425492147.db2.gz KVXHOCFBXCVNQV-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001725423402 1425568225 /nfs/dbraw/zinc/56/82/25/1425568225.db2.gz UYUCRCSKWVJROG-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001725423403 1425568488 /nfs/dbraw/zinc/56/84/88/1425568488.db2.gz UYUCRCSKWVJROG-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725427161 1425573717 /nfs/dbraw/zinc/57/37/17/1425573717.db2.gz JESKWIYTZGCDHA-UHFFFAOYSA-N 2 0 341.499 2.503 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001725439829 1425582865 /nfs/dbraw/zinc/58/28/65/1425582865.db2.gz OIEPVANAHLENQE-HXUWFJFHSA-N 2 0 341.499 2.579 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001725472702 1425605250 /nfs/dbraw/zinc/60/52/50/1425605250.db2.gz OFYBOJAEKRUJLP-LJQANCHMSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001725664761 1425763836 /nfs/dbraw/zinc/76/38/36/1425763836.db2.gz MWGBNSFEFMRHCC-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001725670747 1425768353 /nfs/dbraw/zinc/76/83/53/1425768353.db2.gz ZCQSPPRHGFNZCI-PKOBYXMFSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725795668 1425857324 /nfs/dbraw/zinc/85/73/24/1425857324.db2.gz OSKABNKCPQUNIY-RBUKOAKNSA-N 2 0 347.547 2.927 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001725798779 1425859351 /nfs/dbraw/zinc/85/93/51/1425859351.db2.gz YGZIUHOEZJYESW-QGZVFWFLSA-N 2 0 345.531 2.798 10 30 EFEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725827640 1425891791 /nfs/dbraw/zinc/89/17/91/1425891791.db2.gz ULQBSACSFIDWQA-SFHVURJKSA-N 2 0 333.520 2.965 10 30 EFEERP C[NH+](C)Cc1cc(CNC(=[NH2+])NCCc2ccccc2)ccc1F ZINC000178575176 719786740 /nfs/dbraw/zinc/78/67/40/719786740.db2.gz PASRETSTAVNMEA-UHFFFAOYSA-N 2 0 328.435 2.534 10 30 EFEERP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@](C)(c2ccccc2)C1 ZINC000261809763 721707964 /nfs/dbraw/zinc/70/79/64/721707964.db2.gz SJVWZIUZZWEPMA-RXVVDRJESA-N 2 0 342.531 2.957 10 30 EFEERP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c2c1OC(F)(F)O2 ZINC000895053579 723092935 /nfs/dbraw/zinc/09/29/35/723092935.db2.gz OCQBDCDISAJVNJ-SMDDNHRTSA-N 2 0 337.370 2.852 10 30 EFEERP C#CC[NH+]1CCC(Nc2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000895810629 724320848 /nfs/dbraw/zinc/32/08/48/724320848.db2.gz HFZYTQSCYNHUHY-UHFFFAOYSA-N 2 0 325.412 2.762 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000908274801 727148155 /nfs/dbraw/zinc/14/81/55/727148155.db2.gz BWFKEUMIJGHWAF-IEBWSBKVSA-N 2 0 327.472 2.637 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000911574900 727564030 /nfs/dbraw/zinc/56/40/30/727564030.db2.gz RNSUUSONSIUMGT-WOJBJXKFSA-N 2 0 341.499 2.762 10 30 EFEERP C=CC[NH+]1CCC(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000917137287 727776031 /nfs/dbraw/zinc/77/60/31/727776031.db2.gz NYZNGIHLRXBDBX-UHFFFAOYSA-N 2 0 348.535 2.733 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000913492639 727849185 /nfs/dbraw/zinc/84/91/85/727849185.db2.gz UFUQLCSSPDBGAE-UHFFFAOYSA-N 2 0 341.499 2.500 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122706 727852589 /nfs/dbraw/zinc/85/25/89/727852589.db2.gz BTFLRSYJNJEQKR-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238650 727926263 /nfs/dbraw/zinc/92/62/63/727926263.db2.gz ZERFZFDITKOKMA-IBGZPJMESA-N 2 0 341.499 2.602 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000941239632 727926755 /nfs/dbraw/zinc/92/67/55/727926755.db2.gz QYMHFKHGSGXCIW-LJQANCHMSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745805 728220138 /nfs/dbraw/zinc/22/01/38/728220138.db2.gz VHPQRTDAIIHCLF-MSOLQXFVSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865404 728288070 /nfs/dbraw/zinc/28/80/70/728288070.db2.gz XSUJWCDJTAMHEK-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940854119 728294559 /nfs/dbraw/zinc/29/45/59/728294559.db2.gz XBTXMYLLFPTULK-QGZVFWFLSA-N 2 0 326.444 2.659 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918321 728329473 /nfs/dbraw/zinc/32/94/73/728329473.db2.gz OJKDRNDEOBOVOP-LJQANCHMSA-N 2 0 343.515 2.807 10 30 EFEERP 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IZHBKEYQFQWRBL-RTBURBONSA-N 2 0 347.547 2.976 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001569625432 1085454290 /nfs/dbraw/zinc/45/42/90/1085454290.db2.gz WOAAJESYBBUVED-ICSRJNTNSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001569648583 1085482693 /nfs/dbraw/zinc/48/26/93/1085482693.db2.gz WXJUMUDXASMEJZ-RBUKOAKNSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001569687396 1085519328 /nfs/dbraw/zinc/51/93/28/1085519328.db2.gz STYGQMJMEHBQME-YLJYHZDGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001569706214 1085534445 /nfs/dbraw/zinc/53/44/45/1085534445.db2.gz CMNPMKADZCFTNK-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001569715438 1085549143 /nfs/dbraw/zinc/54/91/43/1085549143.db2.gz GBBDLAIDWXIUAB-LJQANCHMSA-N 2 0 333.520 2.799 10 30 EFEERP 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C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001570054753 1085907830 /nfs/dbraw/zinc/90/78/30/1085907830.db2.gz CRRZAOYNTGXEAN-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001570056837 1085911422 /nfs/dbraw/zinc/91/14/22/1085911422.db2.gz CEKRNMGGIDLOFR-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001570079372 1085934545 /nfs/dbraw/zinc/93/45/45/1085934545.db2.gz YUUDERCQWIFKKL-LJQANCHMSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001570219633 1086060904 /nfs/dbraw/zinc/06/09/04/1086060904.db2.gz FEMFAQJFQOCLBH-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570272061 1086108867 /nfs/dbraw/zinc/10/88/67/1086108867.db2.gz UHEBMSBKYYSQAJ-VQTJNVASSA-N 2 0 343.515 2.836 10 30 EFEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001570400305 1086207014 /nfs/dbraw/zinc/20/70/14/1086207014.db2.gz WMMOXAGOAUTQNI-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001570400304 1086207049 /nfs/dbraw/zinc/20/70/49/1086207049.db2.gz WMMOXAGOAUTQNI-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001570501137 1086286753 /nfs/dbraw/zinc/28/67/53/1086286753.db2.gz CPVQFJPBKUUEEM-VQTJNVASSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001570501149 1086287912 /nfs/dbraw/zinc/28/79/12/1086287912.db2.gz DEFGGHNFMQGENE-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001570520580 1086305717 /nfs/dbraw/zinc/30/57/17/1086305717.db2.gz ILJODSBLOAVHPX-AQNXPRMDSA-N 2 0 343.515 2.911 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001570542771 1086336992 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MZLBASGUAYIIHC-IPMKNSEASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC001571059529 1086658071 /nfs/dbraw/zinc/65/80/71/1086658071.db2.gz MMXYOPNCKRRQLA-DZFGPLHGSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001571064234 1086659959 /nfs/dbraw/zinc/65/99/59/1086659959.db2.gz MXBDUJPPMGZNRM-KVPLUYHFSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001571361812 1086756832 /nfs/dbraw/zinc/75/68/32/1086756832.db2.gz WWOFMMORBBUJAU-OALUTQOASA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001571361813 1086757316 /nfs/dbraw/zinc/75/73/16/1086757316.db2.gz WWOFMMORBBUJAU-RBUKOAKNSA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001571418666 1086797859 /nfs/dbraw/zinc/79/78/59/1086797859.db2.gz BMYMLUHLLUSBIS-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001571487387 1086875162 /nfs/dbraw/zinc/87/51/62/1086875162.db2.gz RCAQNYVLAFVXKS-PXNSSMCTSA-N 2 0 343.515 2.950 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001571508771 1086914834 /nfs/dbraw/zinc/91/48/34/1086914834.db2.gz JMITZNMWZLEGKS-RCCFBDPRSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001571614779 1086989411 /nfs/dbraw/zinc/98/94/11/1086989411.db2.gz SZSVWAUOLUYJEN-LJQANCHMSA-N 2 0 341.515 2.944 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCCC)C(C)(C)C)CC1 ZINC001571638502 1087009493 /nfs/dbraw/zinc/00/94/93/1087009493.db2.gz SDTRTAQYRHPNOJ-SFHVURJKSA-N 2 0 335.536 2.642 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)CC[NH+]2CCCCC2)c(F)c1 ZINC001571704139 1087078559 /nfs/dbraw/zinc/07/85/59/1087078559.db2.gz IOIOKAAQNWDCRJ-UHFFFAOYSA-N 2 0 333.451 2.594 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001649461656 1092495811 /nfs/dbraw/zinc/49/58/11/1092495811.db2.gz GAKUSUINRQZLFS-VQTJNVASSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267089749 1092639059 /nfs/dbraw/zinc/63/90/59/1092639059.db2.gz STEIVMLOTOMYFZ-PMACEKPBSA-N 2 0 343.515 2.997 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001596038383 1094509451 /nfs/dbraw/zinc/50/94/51/1094509451.db2.gz CFPROIFVQNGJMF-IRXDYDNUSA-N 2 0 343.515 2.899 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481104132 1094535782 /nfs/dbraw/zinc/53/57/82/1094535782.db2.gz RQFZPKUYDXQZJP-SFHVURJKSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001267487254 1094909839 /nfs/dbraw/zinc/90/98/39/1094909839.db2.gz BXGNBERIMOJQLM-AWEZNQCLSA-N 2 0 326.444 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CC=C(C)C)CC2)CC1 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ZINC001267571525 1095695258 /nfs/dbraw/zinc/69/52/58/1095695258.db2.gz NCOGAAZANSUUPI-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001267572112 1095712393 /nfs/dbraw/zinc/71/23/93/1095712393.db2.gz WRCYPSOOEDXIQS-OALUTQOASA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001268198352 1096078335 /nfs/dbraw/zinc/07/83/35/1096078335.db2.gz XAUGHLUFFBKUFO-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001268199230 1096085643 /nfs/dbraw/zinc/08/56/43/1096085643.db2.gz FTQCKXPCLJNBPB-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001268201772 1096087119 /nfs/dbraw/zinc/08/71/19/1096087119.db2.gz YOWOYPVGUQADCS-UHFFFAOYSA-N 2 0 332.492 2.824 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001268212018 1096113074 /nfs/dbraw/zinc/11/30/74/1096113074.db2.gz 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1096903145 /nfs/dbraw/zinc/90/31/45/1096903145.db2.gz OVDCZCXNOOCJQA-UHFFFAOYSA-N 2 0 333.520 2.540 10 30 EFEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481983825 1097045419 /nfs/dbraw/zinc/04/54/19/1097045419.db2.gz JXASHJPHFJMNQI-QUCCMNQESA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC(C)C)CC2)CC1 ZINC001482025670 1097106647 /nfs/dbraw/zinc/10/66/47/1097106647.db2.gz LFCYRUXSKQDJFJ-MXVIHJGJSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482056061 1097193073 /nfs/dbraw/zinc/19/30/73/1097193073.db2.gz VMFWTLSPAYQOAF-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001482058992 1097200258 /nfs/dbraw/zinc/20/02/58/1097200258.db2.gz VIDMOSRKGKODCE-UXHICEINSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482103159 1097264062 /nfs/dbraw/zinc/26/40/62/1097264062.db2.gz YBNCZIIIYQZLKN-ROUUACIJSA-N 2 0 335.536 2.949 10 30 EFEERP CCCCCCC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001268844756 1097680778 /nfs/dbraw/zinc/68/07/78/1097680778.db2.gz YJSVORAEPYGBKY-UHFFFAOYSA-N 2 0 335.536 2.881 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269085116 1097835936 /nfs/dbraw/zinc/83/59/36/1097835936.db2.gz RAVILAUEYMBGOT-GOSISDBHSA-N 2 0 326.444 2.707 10 30 EFEERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001269425625 1098129876 /nfs/dbraw/zinc/12/98/76/1098129876.db2.gz SEZLQBQIKHLBIQ-FUHWJXTLSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269555756 1098244249 /nfs/dbraw/zinc/24/42/49/1098244249.db2.gz HELBXMFPBCHZIS-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001269584473 1098268909 /nfs/dbraw/zinc/26/89/09/1098268909.db2.gz YNCBLPQWECNYLM-QYZOEREBSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001269616873 1098294888 /nfs/dbraw/zinc/29/48/88/1098294888.db2.gz UDZLGGWJDFRFQL-LJQANCHMSA-N 2 0 333.520 2.750 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001269632944 1098309726 /nfs/dbraw/zinc/30/97/26/1098309726.db2.gz PNBAJIOMZQNZHW-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001269693132 1098373270 /nfs/dbraw/zinc/37/32/70/1098373270.db2.gz RATPPFJSEULJQS-GGPKGHCWSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001269700437 1098377809 /nfs/dbraw/zinc/37/78/09/1098377809.db2.gz XSBYXSZASGREKF-NRFANRHFSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001269732320 1098401997 /nfs/dbraw/zinc/40/19/97/1098401997.db2.gz QZFHHVSJWASFLR-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269729175 1098404540 /nfs/dbraw/zinc/40/45/40/1098404540.db2.gz BGKFWVWDYCDYEG-IEBWSBKVSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269790630 1098446032 /nfs/dbraw/zinc/44/60/32/1098446032.db2.gz JAOWPDQTFLSGME-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001482244814 1098463271 /nfs/dbraw/zinc/46/32/71/1098463271.db2.gz IJZPHTHUJNIAKG-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001269928140 1098525508 /nfs/dbraw/zinc/52/55/08/1098525508.db2.gz PJSRIORPWXDFLW-UHFFFAOYSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001269988629 1098570023 /nfs/dbraw/zinc/57/00/23/1098570023.db2.gz DJFZTXHGKKQCIY-IEBWSBKVSA-N 2 0 347.547 2.737 10 30 EFEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)cc1 ZINC001270081820 1098671256 /nfs/dbraw/zinc/67/12/56/1098671256.db2.gz JNFMOBCDBTUOIU-NRFANRHFSA-N 2 0 349.478 2.719 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CCCC=C)CC2)CC1 ZINC001270158051 1098750598 /nfs/dbraw/zinc/75/05/98/1098750598.db2.gz OPHFSMRNCVJZDU-UHFFFAOYSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001267938816 1098759495 /nfs/dbraw/zinc/75/94/95/1098759495.db2.gz LMKALFWVKUBBRY-QGZVFWFLSA-N 2 0 329.488 2.700 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267947560 1098796655 /nfs/dbraw/zinc/79/66/55/1098796655.db2.gz WNIOZMJCOGWSMB-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001270242543 1098850151 /nfs/dbraw/zinc/85/01/51/1098850151.db2.gz DBHQVKBBUGEDID-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](C(C)C)CC1 ZINC001270364906 1099011032 /nfs/dbraw/zinc/01/10/32/1099011032.db2.gz WOZFJBQZRAUKEN-UHFFFAOYSA-N 2 0 341.499 2.696 10 30 EFEERP 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EFEERP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001661077352 1103116321 /nfs/dbraw/zinc/11/63/21/1103116321.db2.gz BUJCDCBHDIQYNA-ROUUACIJSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001661235392 1103195300 /nfs/dbraw/zinc/19/53/00/1103195300.db2.gz JBPNKZRCHCSYLO-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001661235393 1103195328 /nfs/dbraw/zinc/19/53/28/1103195328.db2.gz JBPNKZRCHCSYLO-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001661797669 1103433313 /nfs/dbraw/zinc/43/33/13/1103433313.db2.gz CTNOHYRAUBEOCO-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001661814151 1103442674 /nfs/dbraw/zinc/44/26/74/1103442674.db2.gz JLJGGSORKJMZAH-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C 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/nfs/dbraw/zinc/80/87/62/1103808762.db2.gz IDBMDPAWTKHHIV-RBUKOAKNSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001662809137 1103827972 /nfs/dbraw/zinc/82/79/72/1103827972.db2.gz BHWHGFFWDOMHNB-UHFFFAOYSA-N 2 0 343.515 2.885 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001662852059 1103861516 /nfs/dbraw/zinc/86/15/16/1103861516.db2.gz YZXIZIWUTYGJOV-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662868283 1103878766 /nfs/dbraw/zinc/87/87/66/1103878766.db2.gz SYSNEQNXHLTNQD-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001663013665 1103922960 /nfs/dbraw/zinc/92/29/60/1103922960.db2.gz AJAWODSATXRDDM-MRXNPFEDSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664185714 1104309443 /nfs/dbraw/zinc/30/94/43/1104309443.db2.gz ABQMEZVCKCTICZ-CRAIPNDOSA-N 2 0 327.488 2.602 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001664467822 1104407454 /nfs/dbraw/zinc/40/74/54/1104407454.db2.gz PDUOXOVZIHTRJC-PXNSSMCTSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001664578396 1104457017 /nfs/dbraw/zinc/45/70/17/1104457017.db2.gz NLWABYZOXYBQPK-GBESFXJTSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001664730461 1104527628 /nfs/dbraw/zinc/52/76/28/1104527628.db2.gz DYWVSRGESIILMQ-GOSISDBHSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001664750207 1104536024 /nfs/dbraw/zinc/53/60/24/1104536024.db2.gz HYFWNDJYMFLNRA-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001664824552 1104566487 /nfs/dbraw/zinc/56/64/87/1104566487.db2.gz OJFUWVVOJCMMBR-GOSISDBHSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001664858860 1104581218 /nfs/dbraw/zinc/58/12/18/1104581218.db2.gz MXEROPNIOBIQKL-QGZVFWFLSA-N 2 0 345.487 2.539 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001665567196 1104714990 /nfs/dbraw/zinc/71/49/90/1104714990.db2.gz OLNKORPSSMWIFX-IEBWSBKVSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001665687084 1104751246 /nfs/dbraw/zinc/75/12/46/1104751246.db2.gz WQVOQUMYWCSGMT-LJQANCHMSA-N 2 0 329.488 2.861 10 30 EFEERP CC[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001665832909 1104790861 /nfs/dbraw/zinc/79/08/61/1104790861.db2.gz AAXUAZVVKRMWJY-QGZVFWFLSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001272085551 1104807458 /nfs/dbraw/zinc/80/74/58/1104807458.db2.gz QEGNLVSEEXCPCJ-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH2+]C[C@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@H]1C ZINC001666067015 1104846747 /nfs/dbraw/zinc/84/67/47/1104846747.db2.gz BFMJCZQYAQFEMW-DYESRHJHSA-N 2 0 341.499 2.650 10 30 EFEERP C=CC[NH2+]C[C@]1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC[C@@H]1C ZINC001666069330 1104848410 /nfs/dbraw/zinc/84/84/10/1104848410.db2.gz STFXDSMSFGSRIU-LAUBAEHRSA-N 2 0 347.547 2.949 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001666223278 1104904988 /nfs/dbraw/zinc/90/49/88/1104904988.db2.gz GNEAAYOECBYYMU-UHFFFAOYSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001666364531 1104934905 /nfs/dbraw/zinc/93/49/05/1104934905.db2.gz VRBSLWLQTJBXJD-IBGZPJMESA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001666386072 1104936953 /nfs/dbraw/zinc/93/69/53/1104936953.db2.gz JBJKBZOBGONVAU-UHFFFAOYSA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001666759664 1104993060 /nfs/dbraw/zinc/99/30/60/1104993060.db2.gz FHBSFCMIMSWMHP-KRWDZBQOSA-N 2 0 333.520 2.846 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001666767584 1104995061 /nfs/dbraw/zinc/99/50/61/1104995061.db2.gz KWBAAQGDSLOJJC-ZWKOTPCHSA-N 2 0 333.520 2.988 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001667151290 1105062841 /nfs/dbraw/zinc/06/28/41/1105062841.db2.gz KMLAEVMIAJCKTP-HXUWFJFHSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001667182854 1105072923 /nfs/dbraw/zinc/07/29/23/1105072923.db2.gz MEFAEXOCJJJUEE-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667739550 1105193762 /nfs/dbraw/zinc/19/37/62/1105193762.db2.gz ZXKFSBOIQGYQRL-ROUUACIJSA-N 2 0 335.536 2.949 10 30 EFEERP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001668107697 1105236956 /nfs/dbraw/zinc/23/69/56/1105236956.db2.gz WAKXCQBBMIOYKT-MAUKXSAKSA-N 2 0 349.906 2.516 10 30 EFEERP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669690608 1105508533 /nfs/dbraw/zinc/50/85/33/1105508533.db2.gz SEARABPODLGSOB-SFHVURJKSA-N 2 0 349.478 2.508 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669972889 1105560470 /nfs/dbraw/zinc/56/04/70/1105560470.db2.gz BEAGXNSAUSJXKY-OALUTQOASA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC2CCCCCC2)CC1 ZINC001670357770 1105624583 /nfs/dbraw/zinc/62/45/83/1105624583.db2.gz QUWQBVCMHWNHAX-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001671481404 1105643328 /nfs/dbraw/zinc/64/33/28/1105643328.db2.gz JCTWLVRXCUXNCF-IBGZPJMESA-N 2 0 345.531 2.587 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001671491765 1105644661 /nfs/dbraw/zinc/64/46/61/1105644661.db2.gz IZFQRUYEASKEBN-SFHVURJKSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001671491900 1105644838 /nfs/dbraw/zinc/64/48/38/1105644838.db2.gz KJLOZKKEAAICGJ-GOSISDBHSA-N 2 0 341.499 2.626 10 30 EFEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCC=C)CC1 ZINC001671497783 1105645666 /nfs/dbraw/zinc/64/56/66/1105645666.db2.gz WZGXVELCFMGCQF-LJQANCHMSA-N 2 0 345.531 2.753 10 30 EFEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001671508033 1105647887 /nfs/dbraw/zinc/64/78/87/1105647887.db2.gz MOSYPEDDHMTIQX-LJQANCHMSA-N 2 0 349.563 2.935 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512415 1105648877 /nfs/dbraw/zinc/64/88/77/1105648877.db2.gz HMLYSJVJLQJHJX-NHCUHLMSSA-N 2 0 349.478 2.562 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512417 1105648909 /nfs/dbraw/zinc/64/89/09/1105648909.db2.gz HMLYSJVJLQJHJX-SFTDATJTSA-N 2 0 349.478 2.562 10 30 EFEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671908780 1105727645 /nfs/dbraw/zinc/72/76/45/1105727645.db2.gz WJPORPVSORTDNX-MOPGFXCFSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001672183610 1105768054 /nfs/dbraw/zinc/76/80/54/1105768054.db2.gz PMGGZKONVOIKNM-LJQANCHMSA-N 2 0 341.499 2.668 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001672295293 1105795432 /nfs/dbraw/zinc/79/54/32/1105795432.db2.gz YOZHEJCCMAIAQX-ZBFHGGJFSA-N 2 0 326.444 2.517 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001672328461 1105801970 /nfs/dbraw/zinc/80/19/70/1105801970.db2.gz OCVOUOHWCFYWBE-MSOLQXFVSA-N 2 0 333.520 2.513 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001672376430 1105817189 /nfs/dbraw/zinc/81/71/89/1105817189.db2.gz BVFNMNIUXYPRRR-MUGJNUQGSA-N 2 0 345.531 2.539 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001672538165 1105863958 /nfs/dbraw/zinc/86/39/58/1105863958.db2.gz NPAGNOUFSHKCTK-IPMKNSEASA-N 2 0 335.536 2.974 10 30 EFEERP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001672933599 1105941867 /nfs/dbraw/zinc/94/18/67/1105941867.db2.gz FXLNOIUWGHGWMG-CALCHBBNSA-N 2 0 329.488 2.793 10 30 EFEERP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001672943462 1105944990 /nfs/dbraw/zinc/94/49/90/1105944990.db2.gz MOTWCMSRUSKBSJ-FUHWJXTLSA-N 2 0 329.488 2.871 10 30 EFEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001672943936 1105946590 /nfs/dbraw/zinc/94/65/90/1105946590.db2.gz UMDZYEROORSCRQ-DLBZAZTESA-N 2 0 329.488 2.871 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001672987760 1105954850 /nfs/dbraw/zinc/95/48/50/1105954850.db2.gz WNHMKMKJUKQNCH-WGSAOQKQSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001672995029 1105956121 /nfs/dbraw/zinc/95/61/21/1105956121.db2.gz QUJYYPUXUJNAAG-BJLQDIEVSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001673008567 1105958156 /nfs/dbraw/zinc/95/81/56/1105958156.db2.gz IWVZBCNSHYHDOM-KZNAEPCWSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001673185782 1105982734 /nfs/dbraw/zinc/98/27/34/1105982734.db2.gz TWSGOGVCJYEUIN-UHFFFAOYSA-N 2 0 326.444 2.851 10 30 EFEERP C#CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001673387957 1106013826 /nfs/dbraw/zinc/01/38/26/1106013826.db2.gz XYGWNTNENNLWMX-KRWDZBQOSA-N 2 0 333.520 2.633 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001673496361 1106033699 /nfs/dbraw/zinc/03/36/99/1106033699.db2.gz KUZLZGFEIZOZLW-WOJBJXKFSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001673651156 1106068278 /nfs/dbraw/zinc/06/82/78/1106068278.db2.gz RBKKHSHZAOSQMO-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001673961345 1106110468 /nfs/dbraw/zinc/11/04/68/1106110468.db2.gz LFYRILLZLUMSOW-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001673986297 1106113664 /nfs/dbraw/zinc/11/36/64/1106113664.db2.gz XAKLUEDZEDRXFK-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001674272599 1106164224 /nfs/dbraw/zinc/16/42/24/1106164224.db2.gz ZSUKDHYUWMZECO-UYAOXDASSA-N 2 0 341.499 2.620 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001674343587 1106175312 /nfs/dbraw/zinc/17/53/12/1106175312.db2.gz XZMUIGDFINXKCL-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001674429806 1106188412 /nfs/dbraw/zinc/18/84/12/1106188412.db2.gz XCBVPWHFXTZSQK-HSALFYBXSA-N 2 0 341.499 2.809 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674463150 1106195630 /nfs/dbraw/zinc/19/56/30/1106195630.db2.gz GRBOGBDXZGVTRM-GOSISDBHSA-N 2 0 333.520 2.586 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001675354868 1106346204 /nfs/dbraw/zinc/34/62/04/1106346204.db2.gz ZIVNJFCOGKVHEG-SJORKVTESA-N 2 0 347.547 2.900 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3cnc[nH]3)C2)C1 ZINC001675678366 1106409256 /nfs/dbraw/zinc/40/92/56/1106409256.db2.gz QEJMEMMMXHVBPR-INIZCTEOSA-N 2 0 344.503 2.966 10 30 EFEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC001675688778 1106411160 /nfs/dbraw/zinc/41/11/60/1106411160.db2.gz QHQSGGPSXDEUGX-NRSPTQNISA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001675692411 1106411478 /nfs/dbraw/zinc/41/14/78/1106411478.db2.gz FJATWAZYNUKFIW-BGYRXZFFSA-N 2 0 335.536 2.711 10 30 EFEERP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001676158351 1106493271 /nfs/dbraw/zinc/49/32/71/1106493271.db2.gz ADJAZOSZNYTFLT-PKOBYXMFSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001676173297 1106494850 /nfs/dbraw/zinc/49/48/50/1106494850.db2.gz HKPNPYULNIVZLY-UXHICEINSA-N 2 0 347.547 2.927 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001676668038 1106555238 /nfs/dbraw/zinc/55/52/38/1106555238.db2.gz JSTJGFAYRFVXDY-APWZRJJASA-N 2 0 329.488 2.559 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001676999175 1106645802 /nfs/dbraw/zinc/64/58/02/1106645802.db2.gz SIPKOHJHVLUZCP-OALUTQOASA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001677376642 1106709712 /nfs/dbraw/zinc/70/97/12/1106709712.db2.gz XXCMDTXRQMPIKI-HUUCEWRRSA-N 2 0 349.441 2.663 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001677624928 1106787381 /nfs/dbraw/zinc/78/73/81/1106787381.db2.gz YCOQLUHNOFWDDN-PXNSSMCTSA-N 2 0 331.504 2.575 10 30 EFEERP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001677648257 1106809991 /nfs/dbraw/zinc/80/99/91/1106809991.db2.gz JRITUPAVAKSDGQ-MAUKXSAKSA-N 2 0 347.478 2.838 10 30 EFEERP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001677648258 1106810842 /nfs/dbraw/zinc/81/08/42/1106810842.db2.gz JRITUPAVAKSDGQ-QAPCUYQASA-N 2 0 347.478 2.838 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC001272309444 1107735995 /nfs/dbraw/zinc/73/59/95/1107735995.db2.gz FRFBUGBGWZZFDY-SJLPKXTDSA-N 2 0 340.471 2.636 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC001272309442 1107736786 /nfs/dbraw/zinc/73/67/86/1107736786.db2.gz FRFBUGBGWZZFDY-AEFFLSMTSA-N 2 0 340.471 2.636 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000899981837 1109568991 /nfs/dbraw/zinc/56/89/91/1109568991.db2.gz VJEGEWBDPBNHMB-UHFFFAOYSA-N 2 0 344.503 2.583 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001272590040 1111322733 /nfs/dbraw/zinc/32/27/33/1111322733.db2.gz FCRJCMCOSMYQAG-QGZVFWFLSA-N 2 0 349.906 2.943 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001483840749 1112516805 /nfs/dbraw/zinc/51/68/05/1112516805.db2.gz CWGGZOUGVXNWBX-HXUWFJFHSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)c1ccc2ccccc2c1 ZINC001483991705 1112625868 /nfs/dbraw/zinc/62/58/68/1112625868.db2.gz DBCPACGQRDODCH-WOJBJXKFSA-N 2 0 337.467 2.560 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001483991945 1112626501 /nfs/dbraw/zinc/62/65/01/1112626501.db2.gz FXIRYVQYGOXRLX-NHCUHLMSSA-N 2 0 349.478 2.704 10 30 EFEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001483986872 1112631977 /nfs/dbraw/zinc/63/19/77/1112631977.db2.gz VDETWIXCUKARIH-UHFFFAOYSA-N 2 0 335.536 2.691 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC(=C)C)CC1 ZINC001483986734 1112632038 /nfs/dbraw/zinc/63/20/38/1112632038.db2.gz QKHABMAZASWCIE-LJQANCHMSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001483987608 1112632469 /nfs/dbraw/zinc/63/24/69/1112632469.db2.gz XEFPPEVZZPMIHX-QUCCMNQESA-N 2 0 349.563 2.935 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001483987607 1112632733 /nfs/dbraw/zinc/63/27/33/1112632733.db2.gz XEFPPEVZZPMIHX-ICSRJNTNSA-N 2 0 349.563 2.935 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001483988452 1112634233 /nfs/dbraw/zinc/63/42/33/1112634233.db2.gz BSNARQFRYKEDMA-AZUAARDMSA-N 2 0 347.547 2.689 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001484006813 1112650452 /nfs/dbraw/zinc/65/04/52/1112650452.db2.gz NDBDWLSBTPUZLN-YTQUADARSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001484003686 1112654773 /nfs/dbraw/zinc/65/47/73/1112654773.db2.gz WXZZBZVXNYBCIW-GOSISDBHSA-N 2 0 333.520 2.846 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001484008154 1112656857 /nfs/dbraw/zinc/65/68/57/1112656857.db2.gz NZVBFZUIHWZGKH-IEBWSBKVSA-N 2 0 333.520 2.539 10 30 EFEERP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001484022939 1112676290 /nfs/dbraw/zinc/67/62/90/1112676290.db2.gz RRRINYZHNXPKKU-FPOVZHCZSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCC(C)(C)C)C2)CC1 ZINC001484551966 1113004672 /nfs/dbraw/zinc/00/46/72/1113004672.db2.gz SWEWBEHTJSWEFC-SFHVURJKSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001484554950 1113008646 /nfs/dbraw/zinc/00/86/46/1113008646.db2.gz FLSFWQGDNNSALW-IBGZPJMESA-N 2 0 329.488 2.795 10 30 EFEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001484557248 1113008882 /nfs/dbraw/zinc/00/88/82/1113008882.db2.gz HSZCNHLUAUIFEY-UHFFFAOYSA-N 2 0 343.515 2.736 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001484558609 1113012027 /nfs/dbraw/zinc/01/20/27/1113012027.db2.gz JPQDIFYRVDUOHS-OXJNMPFZSA-N 2 0 341.499 2.871 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc2nccn21 ZINC001484556143 1113016675 /nfs/dbraw/zinc/01/66/75/1113016675.db2.gz KUVWCVIGPAGJFS-UHFFFAOYSA-N 2 0 334.423 2.882 10 30 EFEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001272684830 1113018938 /nfs/dbraw/zinc/01/89/38/1113018938.db2.gz XSJZIUZVRMFAFY-QGZVFWFLSA-N 2 0 329.488 2.653 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001484581809 1113034570 /nfs/dbraw/zinc/03/45/70/1113034570.db2.gz BOGVOBZRKKLNHP-INIZCTEOSA-N 2 0 341.927 2.784 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+][C@@H](C)CCC=C)CC1 ZINC001484619611 1113069520 /nfs/dbraw/zinc/06/95/20/1113069520.db2.gz KOPQELCKZMZCEN-AZUAARDMSA-N 2 0 345.531 2.657 10 30 EFEERP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001484825982 1117764383 /nfs/dbraw/zinc/76/43/83/1117764383.db2.gz ZRHDXFXDMUDAFK-PMACEKPBSA-N 2 0 343.515 2.692 10 30 EFEERP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCCCCC)CC2)CC1 ZINC001485011104 1117942804 /nfs/dbraw/zinc/94/28/04/1117942804.db2.gz FGAFDMUZIXNXRF-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)Cn2cncc2C)CC1 ZINC001485030902 1117955847 /nfs/dbraw/zinc/95/58/47/1117955847.db2.gz MODYMNATVGTDJB-UHFFFAOYSA-N 2 0 332.492 2.718 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+](C)C ZINC001485044168 1117962747 /nfs/dbraw/zinc/96/27/47/1117962747.db2.gz MUFCJOMBFGDBTR-UYAOXDASSA-N 2 0 329.488 2.666 10 30 EFEERP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001485033323 1117966070 /nfs/dbraw/zinc/96/60/70/1117966070.db2.gz DFRMJLFYRIFBMJ-QGZVFWFLSA-N 2 0 341.927 2.641 10 30 EFEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001485034322 1117968430 /nfs/dbraw/zinc/96/84/30/1117968430.db2.gz VNUIPOJMIDOYPY-FQEVSTJZSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001485066954 1117989316 /nfs/dbraw/zinc/98/93/16/1117989316.db2.gz FFGGMADUIIAHPM-UXHICEINSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001485058476 1117996871 /nfs/dbraw/zinc/99/68/71/1117996871.db2.gz OCKFHSRWGDDKLX-MRXNPFEDSA-N 2 0 335.517 2.922 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001485242209 1118174021 /nfs/dbraw/zinc/17/40/21/1118174021.db2.gz WWNJVMSEHVLENM-HJOIGYKYSA-N 2 0 332.492 2.914 10 30 EFEERP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001485450207 1118362313 /nfs/dbraw/zinc/36/23/13/1118362313.db2.gz CFGALKIISCWSBZ-GOSISDBHSA-N 2 0 333.520 2.703 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001485653959 1118500964 /nfs/dbraw/zinc/50/09/64/1118500964.db2.gz OXEGSJIMNKUGIY-BZSNNMDCSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001485663218 1118512479 /nfs/dbraw/zinc/51/24/79/1118512479.db2.gz URUGTALFVDCTJS-UHFFFAOYSA-N 2 0 345.531 2.753 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001485669010 1118517809 /nfs/dbraw/zinc/51/78/09/1118517809.db2.gz AAGYYIFHENYJDW-OYRHEFFESA-N 2 0 347.547 2.999 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001485740150 1118552470 /nfs/dbraw/zinc/55/24/70/1118552470.db2.gz IBYVCKSCFABAAY-CVEARBPZSA-N 2 0 329.916 2.876 10 30 EFEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001485768413 1118581186 /nfs/dbraw/zinc/58/11/86/1118581186.db2.gz NQSWCCJQWMWSIW-RTBURBONSA-N 2 0 341.499 2.501 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800796 1118633881 /nfs/dbraw/zinc/63/38/81/1118633881.db2.gz HMHCBBZEUHNXFH-MOPGFXCFSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485816455 1119313284 /nfs/dbraw/zinc/31/32/84/1119313284.db2.gz QNEOVTPQLNWQRM-GOSISDBHSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001485817822 1119784255 /nfs/dbraw/zinc/78/42/55/1119784255.db2.gz QCVNIBCUNGIRRP-AEFFLSMTSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246084106 240264428 /nfs/dbraw/zinc/26/44/28/240264428.db2.gz DZNAOTFNFZZXRY-MSOLQXFVSA-N 2 0 344.503 2.937 10 30 EFEERP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1cccnc1 ZINC000263122892 240380500 /nfs/dbraw/zinc/38/05/00/240380500.db2.gz MEWJOOQYZKQZTI-ICSRJNTNSA-N 2 0 349.482 2.990 10 30 EFEERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328978179 241282563 /nfs/dbraw/zinc/28/25/63/241282563.db2.gz CGSAXGADHWABIB-CYJAXWMASA-N 2 0 347.507 2.632 10 30 EFEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093447 276871488 /nfs/dbraw/zinc/87/14/88/276871488.db2.gz HMAQWSUUYXENAT-WSTLGDPDSA-N 2 0 328.456 2.813 10 30 EFEERP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597016222 479537222 /nfs/dbraw/zinc/53/72/22/479537222.db2.gz MFQDBAOBHDOKEH-UHFFFAOYSA-N 2 0 327.472 2.784 10 30 EFEERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123313201 473126197 /nfs/dbraw/zinc/12/61/97/473126197.db2.gz IWHYHAZNWBBROF-INIZCTEOSA-N 2 0 325.460 2.950 10 30 EFEERP N#Cc1ccc2ncc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000246888045 473993113 /nfs/dbraw/zinc/99/31/13/473993113.db2.gz TXYGOAIDJZJEOT-QFBILLFUSA-N 2 0 335.455 2.655 10 30 EFEERP N#Cc1ccc2ncc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000246888032 473993480 /nfs/dbraw/zinc/99/34/80/473993480.db2.gz TXYGOAIDJZJEOT-LPHOPBHVSA-N 2 0 335.455 2.655 10 30 EFEERP C=CCCC[C@@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000181425058 474035546 /nfs/dbraw/zinc/03/55/46/474035546.db2.gz KNPNODLEEOMYHQ-KAKFPZCNSA-N 2 0 348.535 2.684 10 30 EFEERP C[N@@H+]1CC[C@@]2(CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207080 474904772 /nfs/dbraw/zinc/90/47/72/474904772.db2.gz SXAGANPOHFYBEE-QGZVFWFLSA-N 2 0 338.373 2.964 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000341096415 474970024 /nfs/dbraw/zinc/97/00/24/474970024.db2.gz JOWRCZDFYBACIU-CALCHBBNSA-N 2 0 336.524 2.589 10 30 EFEERP C=CCOc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000349823787 476005885 /nfs/dbraw/zinc/00/58/85/476005885.db2.gz VXIHOHKSRBMAND-UHFFFAOYSA-N 2 0 331.504 2.757 10 30 EFEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093445 476926622 /nfs/dbraw/zinc/92/66/22/476926622.db2.gz HMAQWSUUYXENAT-DJABAAGCSA-N 2 0 328.456 2.813 10 30 EFEERP COc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C#N ZINC000423131484 476938464 /nfs/dbraw/zinc/93/84/64/476938464.db2.gz ZXHJAGJEKKAFGG-NQIIRXRSSA-N 2 0 349.434 2.912 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417545092 477455811 /nfs/dbraw/zinc/45/58/11/477455811.db2.gz XDFMRIDVTGUJPZ-OAHLLOKOSA-N 2 0 330.476 2.546 10 30 EFEERP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4c[nH]cn4)CC3)C2=O)cc1 ZINC000367916975 477753442 /nfs/dbraw/zinc/75/34/42/477753442.db2.gz KISYEVNFVXOZGM-LJQANCHMSA-N 2 0 349.438 2.656 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000516861385 477997846 /nfs/dbraw/zinc/99/78/46/477997846.db2.gz ASNDGUCLNLPBIS-IWCVFHTOSA-N 2 0 328.460 2.750 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435896 478384615 /nfs/dbraw/zinc/38/46/15/478384615.db2.gz GESNWXYAOVVPJB-IEBWSBKVSA-N 2 0 342.487 2.521 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000594440706 478388651 /nfs/dbraw/zinc/38/86/51/478388651.db2.gz HVBQQLBOWRLLPZ-OALUTQOASA-N 2 0 342.487 2.569 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000594440709 478389308 /nfs/dbraw/zinc/38/93/08/478389308.db2.gz HVBQQLBOWRLLPZ-RTBURBONSA-N 2 0 342.487 2.569 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000594440465 478389791 /nfs/dbraw/zinc/38/97/91/478389791.db2.gz CSTIRIBVLQNQLU-SFHVURJKSA-N 2 0 328.460 2.675 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000562959988 478392734 /nfs/dbraw/zinc/39/27/34/478392734.db2.gz DKOXSWLSTBGTIM-FOIPXRHGSA-N 2 0 328.460 2.893 10 30 EFEERP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594494929 478410246 /nfs/dbraw/zinc/41/02/46/478410246.db2.gz LQGKWBVKMMECIK-UHFFFAOYSA-N 2 0 342.531 2.995 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000600725371 478488653 /nfs/dbraw/zinc/48/86/53/478488653.db2.gz JHFLHYYYGMKWHB-NXEWRWPSSA-N 2 0 339.483 2.826 10 30 EFEERP CC(C)[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)N1CC[NH+](C)CC1 ZINC000594913999 478582778 /nfs/dbraw/zinc/58/27/78/478582778.db2.gz ATAOSFAWXYTFNM-FQEVSTJZSA-N 2 0 340.515 2.603 10 30 EFEERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594932743 478592909 /nfs/dbraw/zinc/59/29/09/478592909.db2.gz SSGFMJOXNVDMCJ-UHFFFAOYSA-N 2 0 327.472 2.567 10 30 EFEERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594947569 478599646 /nfs/dbraw/zinc/59/96/46/478599646.db2.gz VJTIWEUYZQMSOB-UHFFFAOYSA-N 2 0 340.515 2.747 10 30 EFEERP CC1(C#N)CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000594976312 478616254 /nfs/dbraw/zinc/61/62/54/478616254.db2.gz ZSNOORSPBFBWFD-IOJLRTSASA-N 2 0 327.472 2.815 10 30 EFEERP C=CCCc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000554576416 479158560 /nfs/dbraw/zinc/15/85/60/479158560.db2.gz IBXCRZJFYLXJTD-UHFFFAOYSA-N 2 0 332.492 2.762 10 30 EFEERP Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C#N ZINC000599304485 479246939 /nfs/dbraw/zinc/24/69/39/479246939.db2.gz MDJAVRIROYATIY-UHFFFAOYSA-N 2 0 327.472 2.944 10 30 EFEERP CCC1([NH+]2CCOCC2)CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000599663067 479378514 /nfs/dbraw/zinc/37/85/14/479378514.db2.gz BDNIPLDJNGVKBU-UHFFFAOYSA-N 2 0 343.471 2.644 10 30 EFEERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1F ZINC000611587379 479426210 /nfs/dbraw/zinc/42/62/10/479426210.db2.gz BOENGZAPYKHJLP-GDBMZVCRSA-N 2 0 330.451 2.516 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000632986755 480835216 /nfs/dbraw/zinc/83/52/16/480835216.db2.gz JLIIXBROADWCEF-UHFFFAOYSA-N 2 0 336.524 2.543 10 30 EFEERP C=CCC[C@@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000641760527 481054770 /nfs/dbraw/zinc/05/47/70/481054770.db2.gz SXPFVHNPAVTTNY-IBGZPJMESA-N 2 0 331.504 2.635 10 30 EFEERP C=CCCn1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)nn1 ZINC000653662125 481393804 /nfs/dbraw/zinc/39/38/04/481393804.db2.gz UQWOMVSVOXTSFE-INIZCTEOSA-N 2 0 340.475 2.767 10 30 EFEERP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000651699131 481909359 /nfs/dbraw/zinc/90/93/59/481909359.db2.gz HYHWJEFHWZYVLS-LPHOPBHVSA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000651728121 481923255 /nfs/dbraw/zinc/92/32/55/481923255.db2.gz LLKVRJFRUNGPTI-SJLPKXTDSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2cccc(C[NH+](CC)CC)c2)CCC[NH2+]1 ZINC000662676024 481929505 /nfs/dbraw/zinc/92/95/05/481929505.db2.gz WKBAQZWHVKJBFH-FQEVSTJZSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696858 481937830 /nfs/dbraw/zinc/93/78/30/481937830.db2.gz XKSMCAYUNQENLB-ILZDJORESA-N 2 0 327.472 2.636 10 30 EFEERP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCC[NH2+]1 ZINC000662701445 481940928 /nfs/dbraw/zinc/94/09/28/481940928.db2.gz PMRSGUNITMLNEO-IBGZPJMESA-N 2 0 345.512 2.872 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662712866 481945639 /nfs/dbraw/zinc/94/56/39/481945639.db2.gz TUOOAVBJPUOAMZ-APWZRJJASA-N 2 0 331.460 2.539 10 30 EFEERP C=CC[C@@]1(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748849 481957880 /nfs/dbraw/zinc/95/78/80/481957880.db2.gz DQYGUUBGDQCKTC-RXVVDRJESA-N 2 0 341.499 2.808 10 30 EFEERP C=CC[C@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000662791301 481971143 /nfs/dbraw/zinc/97/11/43/481971143.db2.gz JGEKGNUBCWEAJN-HXUWFJFHSA-N 2 0 327.472 2.962 10 30 EFEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261961262 535263462 /nfs/dbraw/zinc/26/34/62/535263462.db2.gz KGIOXUSTSVCJST-RDJZCZTQSA-N 2 0 344.503 2.938 10 30 EFEERP CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261943715 535265643 /nfs/dbraw/zinc/26/56/43/535265643.db2.gz FDEUFAUAIMGDCF-IUODEOHRSA-N 2 0 337.537 2.544 10 30 EFEERP C=CCOCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657658058 547244682 /nfs/dbraw/zinc/24/46/82/547244682.db2.gz KVGANFHIZYQKMY-UHFFFAOYSA-N 2 0 331.504 2.899 10 30 EFEERP C=C(C)[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000678764191 548983110 /nfs/dbraw/zinc/98/31/10/548983110.db2.gz SAXIRWSZBXDMEY-QAPCUYQASA-N 2 0 335.467 2.555 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001691935178 1249062596 /nfs/dbraw/zinc/06/25/96/1249062596.db2.gz BQLCQNOVOICEMP-GJZGRUSLSA-N 2 0 349.441 2.519 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001691445916 1249136578 /nfs/dbraw/zinc/13/65/78/1249136578.db2.gz NDTQFAHANTZPEZ-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691448148 1249141713 /nfs/dbraw/zinc/14/17/13/1249141713.db2.gz DDFQAOCYGODFHX-RTBURBONSA-N 2 0 347.478 2.628 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001268120887 1249696791 /nfs/dbraw/zinc/69/67/91/1249696791.db2.gz QEJLEOPLKMIVEX-RTBURBONSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691794640 1247917740 /nfs/dbraw/zinc/91/77/40/1247917740.db2.gz KAUYCJJPQRXWDW-BZSNNMDCSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692000072 1248372962 /nfs/dbraw/zinc/37/29/62/1248372962.db2.gz XSCCOCAAGREJJY-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C/CCC)CC1 ZINC001691112616 1248433628 /nfs/dbraw/zinc/43/36/28/1248433628.db2.gz IQTFWKQMMXJRTG-YJJPMGAVSA-N 2 0 345.531 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]CC(C)C)CC1 ZINC001692014306 1248505285 /nfs/dbraw/zinc/50/52/85/1248505285.db2.gz VCJHRAPOSMTGHS-UYAOXDASSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001691275003 1248585876 /nfs/dbraw/zinc/58/58/76/1248585876.db2.gz JHBRKZIEFSMJIO-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691276866 1248589825 /nfs/dbraw/zinc/58/98/25/1248589825.db2.gz GSAFELYREOZZRU-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001691621838 1251839298 /nfs/dbraw/zinc/83/92/98/1251839298.db2.gz ZWXVYZUBIFQBTO-ROUUACIJSA-N 2 0 341.515 2.993 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001691621839 1251839788 /nfs/dbraw/zinc/83/97/88/1251839788.db2.gz ZWXVYZUBIFQBTO-ZWKOTPCHSA-N 2 0 341.515 2.993 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001691635971 1251963575 /nfs/dbraw/zinc/96/35/75/1251963575.db2.gz BLJWENLVXIZEMM-IBGZPJMESA-N 2 0 333.520 2.637 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1C ZINC001484367412 1252470351 /nfs/dbraw/zinc/47/03/51/1252470351.db2.gz DFJVDXFBNPJMQJ-PBHICJAKSA-N 2 0 326.444 2.517 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001484380234 1252492669 /nfs/dbraw/zinc/49/26/69/1252492669.db2.gz LCAFXCZHSPSKED-PKOBYXMFSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001484390784 1252498521 /nfs/dbraw/zinc/49/85/21/1252498521.db2.gz UCZAYLHRNKJHKU-AKHDSKFASA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001484391818 1252502909 /nfs/dbraw/zinc/50/29/09/1252502909.db2.gz XDIYNCIZUQYAAU-REPLKXPHSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001484401868 1252542930 /nfs/dbraw/zinc/54/29/30/1252542930.db2.gz VTBLGXDOJQWWAU-HXUWFJFHSA-N 2 0 341.499 2.503 10 30 EFEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001484409471 1252548427 /nfs/dbraw/zinc/54/84/27/1252548427.db2.gz DBYQBBUCAFRXSZ-KDURUIRLSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001484472294 1252693906 /nfs/dbraw/zinc/69/39/06/1252693906.db2.gz KPSQVXPXKVAQBH-RBUKOAKNSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC=C(C)C)CC2)CC1 ZINC001484574184 1252759266 /nfs/dbraw/zinc/75/92/66/1252759266.db2.gz AEPIEKNRRFIWED-KESTWPANSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484771444 1252939650 /nfs/dbraw/zinc/93/96/50/1252939650.db2.gz CMLNJSIEWRODIU-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001670932521 1258748748 /nfs/dbraw/zinc/74/87/48/1258748748.db2.gz BYOIXTAGYJBKGC-IPQPSQTFSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncn1C ZINC001670969350 1259166541 /nfs/dbraw/zinc/16/65/41/1259166541.db2.gz OMVODTCJKAEDBV-MSOLQXFVSA-N 2 0 344.503 2.774 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001670985487 1259317049 /nfs/dbraw/zinc/31/70/49/1259317049.db2.gz SOJIUGCHLHRUQN-SFHVURJKSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](CC)CC)cccc2C1 ZINC001272917325 1261330610 /nfs/dbraw/zinc/33/06/10/1261330610.db2.gz SRLYMPKTBQZTDU-HXUWFJFHSA-N 2 0 343.515 2.967 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485921976 1262501697 /nfs/dbraw/zinc/50/16/97/1262501697.db2.gz FYKWQYMMKPCKKG-YJBOKZPZSA-N 2 0 327.488 2.602 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485921975 1262501792 /nfs/dbraw/zinc/50/17/92/1262501792.db2.gz FYKWQYMMKPCKKG-QAPCUYQASA-N 2 0 327.488 2.602 10 30 EFEERP C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)Cc2ccccc2)CC1(C)C ZINC001486250580 1262856279 /nfs/dbraw/zinc/85/62/79/1262856279.db2.gz RYHOTHGYKAETJQ-SFHVURJKSA-N 2 0 329.488 2.521 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001486425108 1263078941 /nfs/dbraw/zinc/07/89/41/1263078941.db2.gz SVPAVERXRTVYDH-GOSISDBHSA-N 2 0 329.488 2.506 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001486418129 1263099652 /nfs/dbraw/zinc/09/96/52/1263099652.db2.gz QIOHSGLIGXKXRN-SFHVURJKSA-N 2 0 335.536 2.805 10 30 EFEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001486507008 1263260925 /nfs/dbraw/zinc/26/09/25/1263260925.db2.gz QSLJURVJXNHBNP-UHFFFAOYSA-N 2 0 333.520 2.965 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691670366 1266678135 /nfs/dbraw/zinc/67/81/35/1266678135.db2.gz MHAFVRASQRQDEF-PKOBYXMFSA-N 2 0 335.536 2.994 10 30 EFEERP N#Cc1ccccc1C[NH+]1CCC2(CC[C@H]2[NH+]2CCOCC2)CC1 ZINC000575316454 1269047901 /nfs/dbraw/zinc/04/79/01/1269047901.db2.gz XVFSWNMJQSTHMD-LJQANCHMSA-N 2 0 325.456 2.635 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001411214823 1272029149 /nfs/dbraw/zinc/02/91/49/1272029149.db2.gz VJOPLMUTVHUHPK-LSDHHAIUSA-N 2 0 329.916 2.732 10 30 EFEERP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)ccc1F ZINC000819073581 1276620232 /nfs/dbraw/zinc/62/02/32/1276620232.db2.gz NZZATGYECHKSHY-LJQANCHMSA-N 2 0 327.403 2.582 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001137552957 1281478316 /nfs/dbraw/zinc/47/83/16/1281478316.db2.gz IKJBFBAQOXHCPW-QZTJIDSGSA-N 2 0 329.488 2.616 10 30 EFEERP C=C(C)COCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001178148898 1288678261 /nfs/dbraw/zinc/67/82/61/1288678261.db2.gz WUUCQRWPZIGEIX-UHFFFAOYSA-N 2 0 342.386 2.752 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000876732286 1290993444 /nfs/dbraw/zinc/99/34/44/1290993444.db2.gz SDSVXGYGJHFKGT-INIZCTEOSA-N 2 0 327.900 2.571 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000876736970 1290995878 /nfs/dbraw/zinc/99/58/78/1290995878.db2.gz YNKGRGYYXZIECI-SJORKVTESA-N 2 0 335.879 2.627 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000876738544 1290996535 /nfs/dbraw/zinc/99/65/35/1290996535.db2.gz GNAAEZUBDIAGBS-HNNXBMFYSA-N 2 0 341.908 2.546 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738553 1290996677 /nfs/dbraw/zinc/99/66/77/1290996677.db2.gz GSAABRDMORVAKF-DZGCQCFKSA-N 2 0 341.908 2.546 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000876740154 1290998054 /nfs/dbraw/zinc/99/80/54/1290998054.db2.gz IAJLMMBUNIJLKC-QGZVFWFLSA-N 2 0 337.895 2.827 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742578 1290999650 /nfs/dbraw/zinc/99/96/50/1290999650.db2.gz UXLIVPCSIKRTKU-SJORKVTESA-N 2 0 335.879 2.718 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000876777897 1291019953 /nfs/dbraw/zinc/01/99/53/1291019953.db2.gz SKAYZIMQYDASGT-KGLIPLIRSA-N 2 0 330.259 2.529 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876885739 1291057747 /nfs/dbraw/zinc/05/77/47/1291057747.db2.gz ZJIODPRUSKGSRU-WBVHZDCISA-N 2 0 335.879 2.579 10 30 EFEERP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001276448062 1313100838 /nfs/dbraw/zinc/10/08/38/1313100838.db2.gz UTBUVZYIEVBLJL-APWZRJJASA-N 2 0 329.488 2.692 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001273757212 1294832253 /nfs/dbraw/zinc/83/22/53/1294832253.db2.gz VKECYBLIZKJJJB-GOSISDBHSA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001198084258 1294868846 /nfs/dbraw/zinc/86/88/46/1294868846.db2.gz GBQSCDHVZXQYDK-LJQANCHMSA-N 2 0 341.499 2.721 10 30 EFEERP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727493 1313124792 /nfs/dbraw/zinc/12/47/92/1313124792.db2.gz TXIMMIXEZNJEJY-GOSISDBHSA-N 2 0 345.443 2.742 10 30 EFEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001275623752 1296328886 /nfs/dbraw/zinc/32/88/86/1296328886.db2.gz FBLARKLRBDLLCO-LMDPOFIKSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001490826184 1296710439 /nfs/dbraw/zinc/71/04/39/1296710439.db2.gz AJVADIULQTXOJR-HOCLYGCPSA-N 2 0 335.517 2.969 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001488956144 1297904915 /nfs/dbraw/zinc/90/49/15/1297904915.db2.gz ZHMBPTWWXUXUBU-LSDHHAIUSA-N 2 0 329.916 2.591 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001488998188 1297952125 /nfs/dbraw/zinc/95/21/25/1297952125.db2.gz MXPBWAFAVOMIAW-YOEHRIQHSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)CN1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)[C@@H]21 ZINC001489087358 1298008604 /nfs/dbraw/zinc/00/86/04/1298008604.db2.gz QKBZNFDUKXCMTP-DJIMGWMZSA-N 2 0 341.927 2.686 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001489199597 1298114347 /nfs/dbraw/zinc/11/43/47/1298114347.db2.gz MWDIPKDKQCOHGA-MOPGFXCFSA-N 2 0 347.547 2.855 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001489230797 1298143459 /nfs/dbraw/zinc/14/34/59/1298143459.db2.gz FWPAOPPVHUULDN-HZPDHXFCSA-N 2 0 347.906 2.780 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001489230796 1298143840 /nfs/dbraw/zinc/14/38/40/1298143840.db2.gz FWPAOPPVHUULDN-HOTGVXAUSA-N 2 0 347.906 2.780 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001691736328 1298374872 /nfs/dbraw/zinc/37/48/72/1298374872.db2.gz PXCAVCWLZKDQMV-UHFFFAOYSA-N 2 0 341.927 2.832 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001490596656 1299017281 /nfs/dbraw/zinc/01/72/81/1299017281.db2.gz ANELZNQXPOOOJY-MSOLQXFVSA-N 2 0 345.531 2.940 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490776284 1299240555 /nfs/dbraw/zinc/24/05/55/1299240555.db2.gz HJDVASOCXWYHOF-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490776863 1299242375 /nfs/dbraw/zinc/24/23/75/1299242375.db2.gz NQMPOBMIYBWIFV-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001490794192 1299264184 /nfs/dbraw/zinc/26/41/84/1299264184.db2.gz WIJGDRRTEPJTIQ-INDMIFKZSA-N 2 0 331.504 2.645 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](Cc2ccsc2)CC1 ZINC001278194188 1313769734 /nfs/dbraw/zinc/76/97/34/1313769734.db2.gz IQECJLWCAFSGGZ-UHFFFAOYSA-N 2 0 347.528 2.516 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001278258959 1313848427 /nfs/dbraw/zinc/84/84/27/1313848427.db2.gz IXFABOYFVXZGOI-SFHVURJKSA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001278283887 1313872629 /nfs/dbraw/zinc/87/26/29/1313872629.db2.gz ZLBDOWXJCQLLCX-FQEVSTJZSA-N 2 0 341.499 2.650 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000866445320 1303644860 /nfs/dbraw/zinc/64/48/60/1303644860.db2.gz JCDODRCAWUPRPN-LPHOPBHVSA-N 2 0 326.488 2.847 10 30 EFEERP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000868284117 1304225074 /nfs/dbraw/zinc/22/50/74/1304225074.db2.gz PQFIFICZCXPWDT-IBGZPJMESA-N 2 0 348.535 2.733 10 30 EFEERP C=CCC[N@H+]1C[C@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001276608181 1314070610 /nfs/dbraw/zinc/07/06/10/1314070610.db2.gz PFZRVPIDGAHXQP-IBGZPJMESA-N 2 0 343.515 2.564 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001276612350 1314083166 /nfs/dbraw/zinc/08/31/66/1314083166.db2.gz QBXLHJFRWXENLA-WMZOPIPTSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001278337119 1314156248 /nfs/dbraw/zinc/15/62/48/1314156248.db2.gz XNLCQWAOWVBAOV-PZJWPPBQSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000900372598 1308092253 /nfs/dbraw/zinc/09/22/53/1308092253.db2.gz IJXSOKREJUYUPR-UHFFFAOYSA-N 2 0 329.488 2.523 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000900436011 1308161044 /nfs/dbraw/zinc/16/10/44/1308161044.db2.gz GRFSILMKDKEGNH-UHFFFAOYSA-N 2 0 347.528 2.724 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000900759624 1308642375 /nfs/dbraw/zinc/64/23/75/1308642375.db2.gz KICNVOCNNRPOQL-UHFFFAOYSA-N 2 0 345.487 2.916 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000900808658 1308711734 /nfs/dbraw/zinc/71/17/34/1308711734.db2.gz QFCWKIXSDKCNLL-GOSISDBHSA-N 2 0 329.488 2.617 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000900808659 1308711784 /nfs/dbraw/zinc/71/17/84/1308711784.db2.gz QFCWKIXSDKCNLL-SFHVURJKSA-N 2 0 329.488 2.617 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000900972898 1309081706 /nfs/dbraw/zinc/08/17/06/1309081706.db2.gz CUKUWYAFPCKAMW-IEBWSBKVSA-N 2 0 329.488 2.664 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000901282317 1310044493 /nfs/dbraw/zinc/04/44/93/1310044493.db2.gz UYUKAFQBJKUIAD-UHFFFAOYSA-N 2 0 344.503 2.663 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359913 1310225039 /nfs/dbraw/zinc/22/50/39/1310225039.db2.gz HBAARXPOLQNVQJ-PKOBYXMFSA-N 2 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C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001277283661 1311923422 /nfs/dbraw/zinc/92/34/22/1311923422.db2.gz GTRRPUUFAGYKOU-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902740476 1312066846 /nfs/dbraw/zinc/06/68/46/1312066846.db2.gz VEBRSVDCPWXPBT-UYAOXDASSA-N 2 0 337.552 2.896 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001277368930 1312067067 /nfs/dbraw/zinc/06/70/67/1312067067.db2.gz OZEMYRKHJGDCSC-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001277388744 1312099137 /nfs/dbraw/zinc/09/91/37/1312099137.db2.gz RJONONGYVMIGPE-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902821080 1312132490 /nfs/dbraw/zinc/13/24/90/1312132490.db2.gz HEOIAWNTGXWDSV-KRWDZBQOSA-N 2 0 341.503 2.554 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473879 1312400376 /nfs/dbraw/zinc/40/03/76/1312400376.db2.gz LNMGAZIUPAKTHW-AZUAARDMSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001277522423 1312505184 /nfs/dbraw/zinc/50/51/84/1312505184.db2.gz CJEMCYGZTQPMEU-QUCCMNQESA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001277515996 1312505682 /nfs/dbraw/zinc/50/56/82/1312505682.db2.gz DWLMGWCKGJTFST-YLJYHZDGSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001277549367 1312547565 /nfs/dbraw/zinc/54/75/65/1312547565.db2.gz YXVUZSOCDBKGDP-SLFFLAALSA-N 2 0 341.499 2.577 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001318206763 1328527971 /nfs/dbraw/zinc/52/79/71/1328527971.db2.gz WMSRXHONAYKKPX-OALUTQOASA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001278488874 1314802353 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347.547 2.691 10 30 EFEERP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001278963632 1315990614 /nfs/dbraw/zinc/99/06/14/1315990614.db2.gz CTTXMRXEJZGFMA-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001279079045 1316124880 /nfs/dbraw/zinc/12/48/80/1316124880.db2.gz DCKRPOYMXKSKQI-VQIMIIECSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001279105064 1316267623 /nfs/dbraw/zinc/26/76/23/1316267623.db2.gz SLLGLIAXIHDYOF-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP CCC[N@H+](C)CC(=O)NC[C@H](CC)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318591945 1328646165 /nfs/dbraw/zinc/64/61/65/1328646165.db2.gz AMQMYIYOAJGBMH-SFHVURJKSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001263861484 1316569517 /nfs/dbraw/zinc/56/95/17/1316569517.db2.gz CBSUWOFSGMLVRF-BZSNNMDCSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263958375 1316576127 /nfs/dbraw/zinc/57/61/27/1316576127.db2.gz MVHLZGJPJQOFPO-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001264010300 1316579920 /nfs/dbraw/zinc/57/99/20/1316579920.db2.gz UBRARPPSYSLWIK-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1CC ZINC001264059395 1316584167 /nfs/dbraw/zinc/58/41/67/1316584167.db2.gz HOBLZVPGWHTGBC-RBUKOAKNSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001264594037 1316638560 /nfs/dbraw/zinc/63/85/60/1316638560.db2.gz DEMMLAPEPMPSDC-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001264753778 1316668716 /nfs/dbraw/zinc/66/87/16/1316668716.db2.gz OBCVCAMUCSBMOO-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001265329340 1316783604 /nfs/dbraw/zinc/78/36/04/1316783604.db2.gz DRBLCVCPUARIRY-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265390262 1316795466 /nfs/dbraw/zinc/79/54/66/1316795466.db2.gz ASZQRVYPBUVTSJ-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001265396511 1316798208 /nfs/dbraw/zinc/79/82/08/1316798208.db2.gz FGNQLXHHRZCGOO-LJQANCHMSA-N 2 0 341.499 2.556 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265399325 1316799428 /nfs/dbraw/zinc/79/94/28/1316799428.db2.gz UHUWFTAZDXDEGC-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001265407295 1316800803 /nfs/dbraw/zinc/80/08/03/1316800803.db2.gz WXDXNIXJTXHKGK-YRXWBPOGSA-N 2 0 333.520 2.891 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265540414 1316823201 /nfs/dbraw/zinc/82/32/01/1316823201.db2.gz PYCZFBXBHSRWJO-KURKYZTESA-N 2 0 333.520 2.844 10 30 EFEERP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697470 1316858501 /nfs/dbraw/zinc/85/85/01/1316858501.db2.gz SPSQFRRWODWQGJ-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697472 1316858520 /nfs/dbraw/zinc/85/85/20/1316858520.db2.gz SPSQFRRWODWQGJ-RBUKOAKNSA-N 2 0 333.520 2.587 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265702855 1316860991 /nfs/dbraw/zinc/86/09/91/1316860991.db2.gz ISYYZBRZFHKMFF-MSOLQXFVSA-N 2 0 347.547 2.879 10 30 EFEERP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705512 1316862939 /nfs/dbraw/zinc/86/29/39/1316862939.db2.gz JXSFZKLWJAHWQV-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705514 1316863426 /nfs/dbraw/zinc/86/34/26/1316863426.db2.gz 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VEQOCYBBWNGODA-UHFFFAOYSA-N 2 0 335.536 2.975 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317041836 1325509456 /nfs/dbraw/zinc/50/94/56/1325509456.db2.gz JFUKZMBLZIPEQT-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317048114 1325519331 /nfs/dbraw/zinc/51/93/31/1325519331.db2.gz ODPSEAJWCFSKIZ-HDICACEKSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106656 1325578999 /nfs/dbraw/zinc/57/89/99/1325578999.db2.gz YSDXQROHSYYCGK-ICSRJNTNSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317117446 1325587028 /nfs/dbraw/zinc/58/70/28/1325587028.db2.gz VQOUAFYIMWQSAL-SCTDSRPQSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001317117448 1325587465 /nfs/dbraw/zinc/58/74/65/1325587465.db2.gz VQOUAFYIMWQSAL-ZIFCJYIRSA-N 2 0 333.520 2.987 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322360978 1329452078 /nfs/dbraw/zinc/45/20/78/1329452078.db2.gz REVRPXCZPAUKBA-RBUKOAKNSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317159618 1327654881 /nfs/dbraw/zinc/65/48/81/1327654881.db2.gz JGHVDIMWBKIMAD-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317159621 1327655411 /nfs/dbraw/zinc/65/54/11/1327655411.db2.gz JGHVDIMWBKIMAD-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317203405 1327733840 /nfs/dbraw/zinc/73/38/40/1327733840.db2.gz LCCWETKYSMOISM-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317321038 1327850590 /nfs/dbraw/zinc/85/05/90/1327850590.db2.gz CDVSKFWNTVKQNM-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP 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1329493680 /nfs/dbraw/zinc/49/36/80/1329493680.db2.gz NRWAPPRAOZIYIT-GOSISDBHSA-N 2 0 341.499 2.531 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001323643016 1329558190 /nfs/dbraw/zinc/55/81/90/1329558190.db2.gz OSROERJPIYFXJS-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CCCCCC1 ZINC001323707920 1329563619 /nfs/dbraw/zinc/56/36/19/1329563619.db2.gz AOLDXXJYDIOKPW-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324420219 1329625594 /nfs/dbraw/zinc/62/55/94/1329625594.db2.gz OAHNQBGCVWGRTN-MOPGFXCFSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324420223 1329625689 /nfs/dbraw/zinc/62/56/89/1329625689.db2.gz OAHNQBGCVWGRTN-RBUKOAKNSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001324420225 1329625762 /nfs/dbraw/zinc/62/57/62/1329625762.db2.gz OAHNQBGCVWGRTN-RTBURBONSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001324431918 1329626709 /nfs/dbraw/zinc/62/67/09/1329626709.db2.gz KENSGCZVFKGQQC-OVKVCFKUSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001324440676 1329627834 /nfs/dbraw/zinc/62/78/34/1329627834.db2.gz FBHHOEOIOUWMDE-RTBURBONSA-N 2 0 345.531 2.752 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CCC)CC1 ZINC001324441528 1329628377 /nfs/dbraw/zinc/62/83/77/1329628377.db2.gz PEBPNLCVFWLETA-UHFFFAOYSA-N 2 0 333.520 2.589 10 30 EFEERP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001324557607 1329639904 /nfs/dbraw/zinc/63/99/04/1329639904.db2.gz STBALPZSORHLCL-OAQYLSRUSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001324673824 1329650647 /nfs/dbraw/zinc/65/06/47/1329650647.db2.gz OJCQKGSWKZTBIF-NJRZHNRPSA-N 2 0 345.531 2.659 10 30 EFEERP 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C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001326482793 1329760034 /nfs/dbraw/zinc/76/00/34/1329760034.db2.gz ZTJQTMIBBMVWMC-INIZCTEOSA-N 2 0 329.488 2.871 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2ccnc2C)CC1 ZINC001326559679 1330317541 /nfs/dbraw/zinc/31/75/41/1330317541.db2.gz YOJRJHZFPDSZHQ-IYARVYRRSA-N 2 0 332.492 2.812 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001326585512 1330321910 /nfs/dbraw/zinc/32/19/10/1330321910.db2.gz HJEAUKYSOBXBRJ-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001327307454 1330457174 /nfs/dbraw/zinc/45/71/74/1330457174.db2.gz CZEGYZNBAWEKPW-RTBURBONSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001327514094 1330492945 /nfs/dbraw/zinc/49/29/45/1330492945.db2.gz RXOBBVDYJQLPFW-PXNSSMCTSA-N 2 0 343.515 2.836 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530850 1330495848 /nfs/dbraw/zinc/49/58/48/1330495848.db2.gz QADTXQDJASJXEN-WIYYLYMNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@H+]1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001327696904 1330510236 /nfs/dbraw/zinc/51/02/36/1330510236.db2.gz ZKMMJLZHCCZAGJ-UHFFFAOYSA-N 2 0 341.499 2.926 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467338 1330594208 /nfs/dbraw/zinc/59/42/08/1330594208.db2.gz DECQVRWBXVTTPD-PMACEKPBSA-N 2 0 343.515 2.864 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001328588515 1330605530 /nfs/dbraw/zinc/60/55/30/1330605530.db2.gz WLPBVGMELHEVNP-FQEVSTJZSA-N 2 0 347.547 2.833 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001328588339 1330605817 /nfs/dbraw/zinc/60/58/17/1330605817.db2.gz CTSXHDKDZOZRTQ-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001328589149 1330605991 /nfs/dbraw/zinc/60/59/91/1330605991.db2.gz VHSPQGMYGAAPKX-MJGOQNOKSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812988 1330637397 /nfs/dbraw/zinc/63/73/97/1330637397.db2.gz TVCMZBGTAYEXEW-PMACEKPBSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001329240319 1330684536 /nfs/dbraw/zinc/68/45/36/1330684536.db2.gz FFQKKIAICRPWKZ-UHFFFAOYSA-N 2 0 338.455 2.639 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001331058654 1330789541 /nfs/dbraw/zinc/78/95/41/1330789541.db2.gz DVHSXNMPYXLNDN-RBUKOAKNSA-N 2 0 333.520 2.892 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001331211411 1330806093 /nfs/dbraw/zinc/80/60/93/1330806093.db2.gz JQRWIUOLKLSNGT-UXHICEINSA-N 2 0 347.547 2.927 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCCC)[C@H]2C)CC1 ZINC001331943288 1330894737 /nfs/dbraw/zinc/89/47/37/1330894737.db2.gz HODNEGNTEFOLNG-UYAOXDASSA-N 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CC#CC[NH+]1CCC(N(CCC)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001479996923 1333021842 /nfs/dbraw/zinc/02/18/42/1333021842.db2.gz XFDKMSTVUMLHPM-UHFFFAOYSA-N 2 0 333.520 2.589 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC001353111205 1333932385 /nfs/dbraw/zinc/93/23/85/1333932385.db2.gz XYDXEJDYAQQINE-HXUWFJFHSA-N 2 0 333.520 2.942 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000848409760 1334710696 /nfs/dbraw/zinc/71/06/96/1334710696.db2.gz CWHQUOCMACMSKJ-GOSISDBHSA-N 2 0 334.508 2.559 10 30 EFEERP CC[NH+](CC)Cc1cc(C(C)=NNCCCn2ccnc2)ccc1O ZINC000848417728 1334713723 /nfs/dbraw/zinc/71/37/23/1334713723.db2.gz DHLIWOJOQWGNCZ-UHFFFAOYSA-N 2 0 343.475 2.834 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001368127043 1339205723 /nfs/dbraw/zinc/20/57/23/1339205723.db2.gz VYEKASKFPQMZOO-HZPDHXFCSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001368144846 1339217033 /nfs/dbraw/zinc/21/70/33/1339217033.db2.gz MHVIBHKMPMIHLG-SFHVURJKSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001368825229 1339764589 /nfs/dbraw/zinc/76/45/89/1339764589.db2.gz LHOJCNJTEADJRQ-UHFFFAOYSA-N 2 0 335.879 2.599 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001370957111 1340305654 /nfs/dbraw/zinc/30/56/54/1340305654.db2.gz NKCJQQYEKBJWIR-IAGOWNOFSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001373041961 1340883055 /nfs/dbraw/zinc/88/30/55/1340883055.db2.gz YOZCGZDVOBQCDU-WBVHZDCISA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001373837311 1341168671 /nfs/dbraw/zinc/16/86/71/1341168671.db2.gz SQDQTLWEACDNCL-CVEARBPZSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001373924528 1341205694 /nfs/dbraw/zinc/20/56/94/1341205694.db2.gz 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DVLYVNJFWIRQJU-HOTGVXAUSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001400150738 1361786456 /nfs/dbraw/zinc/78/64/56/1361786456.db2.gz CFTKGKGKHDZKAC-DLBZAZTESA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072342 1362412726 /nfs/dbraw/zinc/41/27/26/1362412726.db2.gz JCWZMMPCUSTEHD-MAUKXSAKSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001401072339 1362412790 /nfs/dbraw/zinc/41/27/90/1362412790.db2.gz JCWZMMPCUSTEHD-CRAIPNDOSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001437371392 1387586043 /nfs/dbraw/zinc/58/60/43/1387586043.db2.gz KJVISRAGOQQZRU-CVEARBPZSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001402066077 1363372460 /nfs/dbraw/zinc/37/24/60/1363372460.db2.gz YVWLXNQDBUTJSB-DLBZAZTESA-N 2 0 339.911 2.727 10 30 EFEERP 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MQNWGYVFCMCIFX-APWZRJJASA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479425704 1397722569 /nfs/dbraw/zinc/72/25/69/1397722569.db2.gz SNHKMJVRYHKDNL-ZCNNSNEGSA-N 2 0 343.515 2.733 10 30 EFEERP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001479501589 1397739267 /nfs/dbraw/zinc/73/92/67/1397739267.db2.gz KYEXFMDLTOZAAA-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001479745607 1397803101 /nfs/dbraw/zinc/80/31/01/1397803101.db2.gz NQCLTFBFXLSZIS-QZTJIDSGSA-N 2 0 335.536 2.737 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479833809 1397928751 /nfs/dbraw/zinc/92/87/51/1397928751.db2.gz LMWAJAQXLJXQKV-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001479835335 1397930456 /nfs/dbraw/zinc/93/04/56/1397930456.db2.gz VSAJGLHPYUFDLK-QUCCMNQESA-N 2 0 345.531 2.657 10 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C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480826637 1398334992 /nfs/dbraw/zinc/33/49/92/1398334992.db2.gz MSUBRDQIVHLHBR-INIZCTEOSA-N 2 0 341.927 2.974 10 30 EFEERP C#CCC[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@H]12 ZINC001507361074 1406952394 /nfs/dbraw/zinc/95/23/94/1406952394.db2.gz ZLKRSZDDAOHEER-PZJWPPBQSA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001493877445 1398945079 /nfs/dbraw/zinc/94/50/79/1398945079.db2.gz AEORUQNBACVWDT-WOJBJXKFSA-N 2 0 341.499 2.532 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001493879059 1398947643 /nfs/dbraw/zinc/94/76/43/1398947643.db2.gz UDQNGRMLNIWHTR-UXHICEINSA-N 2 0 343.515 2.920 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001493970670 1399023305 /nfs/dbraw/zinc/02/33/05/1399023305.db2.gz HAEVYZMAUDDKGC-HXUWFJFHSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494145996 1399166169 /nfs/dbraw/zinc/16/61/69/1399166169.db2.gz WCEGYGCGPGJUDB-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494146554 1399166560 /nfs/dbraw/zinc/16/65/60/1399166560.db2.gz VAYLMZKQUGNODW-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494154623 1399172413 /nfs/dbraw/zinc/17/24/13/1399172413.db2.gz PJOVRYQRXIKRNW-PKOBYXMFSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001494656314 1399417317 /nfs/dbraw/zinc/41/73/17/1399417317.db2.gz PGHUJIJXDRMNFF-GBESFXJTSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001494656312 1399417606 /nfs/dbraw/zinc/41/76/06/1399417606.db2.gz PGHUJIJXDRMNFF-FHWLQOOXSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494918882 1399555339 /nfs/dbraw/zinc/55/53/39/1399555339.db2.gz MXEBCRAUCVYZAJ-HXUWFJFHSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001495324665 1399850032 /nfs/dbraw/zinc/85/00/32/1399850032.db2.gz JRQICOSWOOVJSI-YLJYHZDGSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001495358496 1399902771 /nfs/dbraw/zinc/90/27/71/1399902771.db2.gz VNBNFBHRQFVFAZ-YESZJQIVSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001495381041 1399926798 /nfs/dbraw/zinc/92/67/98/1399926798.db2.gz RGWYSSCGUAQLLV-HZPDHXFCSA-N 2 0 329.916 2.543 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001495519564 1400049318 /nfs/dbraw/zinc/04/93/18/1400049318.db2.gz DNXTWERTZKAXTM-IBGZPJMESA-N 2 0 333.520 2.798 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001496099185 1400469397 /nfs/dbraw/zinc/46/93/97/1400469397.db2.gz PDTAIEIOBVZNHD-CQSZACIVSA-N 2 0 329.916 2.828 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001496099184 1400469726 /nfs/dbraw/zinc/46/97/26/1400469726.db2.gz PDTAIEIOBVZNHD-AWEZNQCLSA-N 2 0 329.916 2.828 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001496313507 1400629747 /nfs/dbraw/zinc/62/97/47/1400629747.db2.gz XGBPUDLHRHHJEU-RTBURBONSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001496349887 1400660441 /nfs/dbraw/zinc/66/04/41/1400660441.db2.gz GEYURHUASZQPJX-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001496443807 1400734288 /nfs/dbraw/zinc/73/42/88/1400734288.db2.gz IIGOTVDIMDNVDQ-MSOLQXFVSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001496501261 1400776453 /nfs/dbraw/zinc/77/64/53/1400776453.db2.gz IVTKBTFTCGPSSQ-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001496512396 1400787384 /nfs/dbraw/zinc/78/73/84/1400787384.db2.gz GUDIOFDLGBTQGZ-IEBWSBKVSA-N 2 0 335.536 2.853 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001496866802 1401062212 /nfs/dbraw/zinc/06/22/12/1401062212.db2.gz JAOXCWCQILQADB-OALUTQOASA-N 2 0 347.547 2.975 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001496867717 1401064215 /nfs/dbraw/zinc/06/42/15/1401064215.db2.gz GIPQOHLAPBOBSC-OALUTQOASA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001496899547 1401087082 /nfs/dbraw/zinc/08/70/82/1401087082.db2.gz SXEMYXBLFOUOEV-AZUAARDMSA-N 2 0 343.515 2.855 10 30 EFEERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497329278 1401306507 /nfs/dbraw/zinc/30/65/07/1401306507.db2.gz ANAHPVJAWYDCSV-INIZCTEOSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001498899145 1402368671 /nfs/dbraw/zinc/36/86/71/1402368671.db2.gz SFFAJTZHUVUGNQ-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1CC ZINC001498905259 1402371952 /nfs/dbraw/zinc/37/19/52/1402371952.db2.gz YWLNFAPYSBDRQX-JKSUJKDBSA-N 2 0 329.916 2.688 10 30 EFEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001499479143 1402633896 /nfs/dbraw/zinc/63/38/96/1402633896.db2.gz VPYOAMIAORANMJ-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001499496123 1402642810 /nfs/dbraw/zinc/64/28/10/1402642810.db2.gz QKKKDPVGHDMWDU-MVCQKVDPSA-N 2 0 333.520 2.939 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CCCCCC1 ZINC001499522476 1402658975 /nfs/dbraw/zinc/65/89/75/1402658975.db2.gz JGXOKJGQYVGVOI-WOJBJXKFSA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001499526272 1402661995 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333.520 2.654 10 30 EFEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001500057272 1402916730 /nfs/dbraw/zinc/91/67/30/1402916730.db2.gz FXMZWANNTNQPNL-HJWRWDBZSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001500356404 1403072101 /nfs/dbraw/zinc/07/21/01/1403072101.db2.gz QSTXOZJJAIFVRZ-LJQANCHMSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001500356403 1403072321 /nfs/dbraw/zinc/07/23/21/1403072321.db2.gz QSTXOZJJAIFVRZ-IBGZPJMESA-N 2 0 333.520 2.657 10 30 EFEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500371851 1403080764 /nfs/dbraw/zinc/08/07/64/1403080764.db2.gz CDRIXXWJZXZYML-ICSRJNTNSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500371850 1403080975 /nfs/dbraw/zinc/08/09/75/1403080975.db2.gz CDRIXXWJZXZYML-AZUAARDMSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001500427753 1403115518 /nfs/dbraw/zinc/11/55/18/1403115518.db2.gz ZIMMZXSHBSCTHD-HKUYNNGSSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001500427756 1403115862 /nfs/dbraw/zinc/11/58/62/1403115862.db2.gz ZIMMZXSHBSCTHD-PKOBYXMFSA-N 2 0 347.547 2.901 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001501022077 1403410059 /nfs/dbraw/zinc/41/00/59/1403410059.db2.gz MSZXOGQPNLDGAQ-OALUTQOASA-N 2 0 329.488 2.666 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1CC ZINC001501022832 1403410731 /nfs/dbraw/zinc/41/07/31/1403410731.db2.gz RZHASEJRVBWKBI-APWZRJJASA-N 2 0 329.488 2.524 10 30 EFEERP C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501083271 1403433463 /nfs/dbraw/zinc/43/34/63/1403433463.db2.gz GMTCQWGLORSYRB-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001501122170 1403448251 /nfs/dbraw/zinc/44/82/51/1403448251.db2.gz NGBPPYCXJWJDJG-RDJZCZTQSA-N 2 0 340.471 2.907 10 30 EFEERP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001501169898 1403473343 /nfs/dbraw/zinc/47/33/43/1403473343.db2.gz IEEWFDLYFRRKNM-OKYOBFRVSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001501181509 1403479462 /nfs/dbraw/zinc/47/94/62/1403479462.db2.gz PJRQFQQMOWUFCU-WTGUMLROSA-N 2 0 345.531 2.539 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001501181236 1403479646 /nfs/dbraw/zinc/47/96/46/1403479646.db2.gz FVBRQUGHLFIVRQ-IYARVYRRSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2[nH]cnc2C)CC1 ZINC001501190056 1403483785 /nfs/dbraw/zinc/48/37/85/1403483785.db2.gz NAQDBRSOQMJEGS-QAQDUYKDSA-N 2 0 332.492 2.739 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001501193691 1403485608 /nfs/dbraw/zinc/48/56/08/1403485608.db2.gz MWJUDCVIXBAKBD-RBUKOAKNSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001501196120 1403486892 /nfs/dbraw/zinc/48/68/92/1403486892.db2.gz QNIGJSWBLRRYMP-UHFFFAOYSA-N 2 0 349.906 2.842 10 30 EFEERP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001501196223 1403487505 /nfs/dbraw/zinc/48/75/05/1403487505.db2.gz WDUBIAPYTQYTOX-IBGZPJMESA-N 2 0 329.488 2.665 10 30 EFEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@H]2C1 ZINC001501223549 1403500224 /nfs/dbraw/zinc/50/02/24/1403500224.db2.gz NYLHKGJXNKKGAS-HDICACEKSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001501404686 1403591914 /nfs/dbraw/zinc/59/19/14/1403591914.db2.gz SSDUCEUJOZEFPV-RBUKOAKNSA-N 2 0 333.520 2.894 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCCC)CC1 ZINC001501407336 1403592857 /nfs/dbraw/zinc/59/28/57/1403592857.db2.gz BKJYSFCOWZGSBA-WOJBJXKFSA-N 2 0 345.531 2.587 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001501651257 1403668313 /nfs/dbraw/zinc/66/83/13/1403668313.db2.gz MVOQNVLAEDQOHZ-RTBURBONSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC001501665681 1403685815 /nfs/dbraw/zinc/68/58/15/1403685815.db2.gz MXGLJMHSLGOBRV-UHFFFAOYSA-N 2 0 341.499 2.939 10 30 EFEERP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001502129886 1404025950 /nfs/dbraw/zinc/02/59/50/1404025950.db2.gz MPPBIILVZBUHSG-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406015 1404148244 /nfs/dbraw/zinc/14/82/44/1404148244.db2.gz GURYGIJIFUHFQG-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502747986 1404323237 /nfs/dbraw/zinc/32/32/37/1404323237.db2.gz LUTRDBUGYGKPTR-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001502759580 1404328712 /nfs/dbraw/zinc/32/87/12/1404328712.db2.gz IYJLUFJFVCOWDS-PKOBYXMFSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001502786706 1404343302 /nfs/dbraw/zinc/34/33/02/1404343302.db2.gz WVMGWKSZQMZEKS-MRXNPFEDSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001505396566 1404549370 /nfs/dbraw/zinc/54/93/70/1404549370.db2.gz KVPHMKODZIXDHD-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001505397811 1404551391 /nfs/dbraw/zinc/55/13/91/1404551391.db2.gz TUFAGHHZZCUFLC-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001505415738 1404575452 /nfs/dbraw/zinc/57/54/52/1404575452.db2.gz RZLUWUJLFHRFLN-TZIWHRDSSA-N 2 0 341.499 2.666 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001505432802 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EFEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001565984977 1415469916 /nfs/dbraw/zinc/46/99/16/1415469916.db2.gz PBVYBQXDAMNXEN-VAMGGRTRSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@H]21 ZINC001565994739 1415474965 /nfs/dbraw/zinc/47/49/65/1415474965.db2.gz JWRHWNZGXBVUAO-JLSDUUJJSA-N 2 0 330.476 2.524 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001566054265 1415494158 /nfs/dbraw/zinc/49/41/58/1415494158.db2.gz UFSCREUSVLJQDF-QYZOEREBSA-N 2 0 335.536 2.689 10 30 EFEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001566533260 1415621097 /nfs/dbraw/zinc/62/10/97/1415621097.db2.gz LNWJQCMSRAHIOZ-XLIONFOSSA-N 2 0 343.515 2.950 10 30 EFEERP C#CC[NH+]1CCC(N(CCC)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001566699099 1415737423 /nfs/dbraw/zinc/73/74/23/1415737423.db2.gz BPMDOFILSODJTD-UHFFFAOYSA-N 2 0 341.499 2.698 10 30 EFEERP 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CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001689909186 1417093379 /nfs/dbraw/zinc/09/33/79/1417093379.db2.gz LXPHJRYQCOUJNT-PXNSSMCTSA-N 2 0 341.499 2.744 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001689909188 1417093512 /nfs/dbraw/zinc/09/35/12/1417093512.db2.gz LXPHJRYQCOUJNT-YLJYHZDGSA-N 2 0 341.499 2.744 10 30 EFEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001689936086 1417099731 /nfs/dbraw/zinc/09/97/31/1417099731.db2.gz CVVMLALRVFXEGJ-QGZVFWFLSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001690009429 1417129891 /nfs/dbraw/zinc/12/98/91/1417129891.db2.gz VXQDMCYEWXBZMA-RTBURBONSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001690009428 1417130232 /nfs/dbraw/zinc/13/02/32/1417130232.db2.gz VXQDMCYEWXBZMA-RBUKOAKNSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001690155711 1417166300 /nfs/dbraw/zinc/16/63/00/1417166300.db2.gz GALQHWVCOJBLHK-AEFFLSMTSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001690158599 1417166868 /nfs/dbraw/zinc/16/68/68/1417166868.db2.gz KNNPIMSZCVTQLA-GOSISDBHSA-N 2 0 326.444 2.707 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690409982 1417211668 /nfs/dbraw/zinc/21/16/68/1417211668.db2.gz XOSBFILGWGVRJK-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690748268 1417238230 /nfs/dbraw/zinc/23/82/30/1417238230.db2.gz SLXVWIHXHSEPOY-IEBWSBKVSA-N 2 0 347.547 2.901 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001691792952 1417247994 /nfs/dbraw/zinc/24/79/94/1417247994.db2.gz RVNMDDFSLFLPII-FQEVSTJZSA-N 2 0 341.499 2.721 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001692016623 1417252792 /nfs/dbraw/zinc/25/27/92/1417252792.db2.gz JAGBAIPLBKDVPC-UHFFFAOYSA-N 2 0 326.444 2.613 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001692153561 1417257037 /nfs/dbraw/zinc/25/70/37/1417257037.db2.gz QTPOQAIPQJHMRK-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698569798 1417306533 /nfs/dbraw/zinc/30/65/33/1417306533.db2.gz TYJLELLXAHEMOC-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001698706711 1417314086 /nfs/dbraw/zinc/31/40/86/1417314086.db2.gz ARJXUYFRUDQQMK-OWYHZJEWSA-N 2 0 333.520 2.700 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001698956415 1417357153 /nfs/dbraw/zinc/35/71/53/1417357153.db2.gz XBTPEPKNHWDCMR-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020249 1417371760 /nfs/dbraw/zinc/37/17/60/1417371760.db2.gz MRJFAPFJRZATIS-MSOLQXFVSA-N 2 0 335.536 2.853 10 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C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001714321748 1418601083 /nfs/dbraw/zinc/60/10/83/1418601083.db2.gz ATPQAHVXLRBPLM-RBUKOAKNSA-N 2 0 327.472 2.595 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(CC)CC)[C@H](C)C2)CC1 ZINC001715096003 1418651134 /nfs/dbraw/zinc/65/11/34/1418651134.db2.gz ZBIGNJPSXNCRTG-YLJYHZDGSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715858809 1418689867 /nfs/dbraw/zinc/68/98/67/1418689867.db2.gz DAEKSBZYXMRPDG-KEGWNNHHSA-N 2 0 339.911 2.798 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716175643 1418714594 /nfs/dbraw/zinc/71/45/94/1418714594.db2.gz UPKACPIRXOKLDL-SXLOBPIMSA-N 2 0 343.515 2.782 10 30 EFEERP C#CCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001716637387 1418932927 /nfs/dbraw/zinc/93/29/27/1418932927.db2.gz XIRPMSYNNHKPJS-DOTOQJQBSA-N 2 0 347.528 2.663 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716705520 1418964109 /nfs/dbraw/zinc/96/41/09/1418964109.db2.gz BEWDTGQJIRRUAD-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716705519 1418964238 /nfs/dbraw/zinc/96/42/38/1418964238.db2.gz BEWDTGQJIRRUAD-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716777750 1419004272 /nfs/dbraw/zinc/00/42/72/1419004272.db2.gz VMFWTLSPAYQOAF-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001716812152 1419025157 /nfs/dbraw/zinc/02/51/57/1419025157.db2.gz BIDQSTGNODFLJG-OAQYLSRUSA-N 2 0 349.478 2.704 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001716822373 1419032118 /nfs/dbraw/zinc/03/21/18/1419032118.db2.gz KTNJUAHXDPIOSP-RTBURBONSA-N 2 0 333.520 2.537 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001716895740 1419082633 /nfs/dbraw/zinc/08/26/33/1419082633.db2.gz MEHYIWGQNZFYNZ-LJQANCHMSA-N 2 0 347.528 2.665 10 30 EFEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001716900463 1419085601 /nfs/dbraw/zinc/08/56/01/1419085601.db2.gz YGMUHYNIJNOJTP-NRFANRHFSA-N 2 0 343.515 2.809 10 30 EFEERP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716911905 1419093871 /nfs/dbraw/zinc/09/38/71/1419093871.db2.gz DEFDPTJFGOMCBX-INIZCTEOSA-N 2 0 343.462 2.512 10 30 EFEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001716997929 1419133518 /nfs/dbraw/zinc/13/35/18/1419133518.db2.gz BJJOOWDFOLRCPX-REPLKXPHSA-N 2 0 345.531 2.633 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717003337 1419138700 /nfs/dbraw/zinc/13/87/00/1419138700.db2.gz VWVJBHLSPWWRKE-FHWLQOOXSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717004262 1419139513 /nfs/dbraw/zinc/13/95/13/1419139513.db2.gz DJZYEIRLZBKXLY-FHWLQOOXSA-N 2 0 335.536 2.805 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717004827 1419140102 /nfs/dbraw/zinc/14/01/02/1419140102.db2.gz CGIVWNSJMLRUKL-IEBWSBKVSA-N 2 0 329.488 2.521 10 30 EFEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001717117410 1419221280 /nfs/dbraw/zinc/22/12/80/1419221280.db2.gz RQPXCSOKJWXBFD-ROUUACIJSA-N 2 0 341.499 2.631 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001717216132 1419269891 /nfs/dbraw/zinc/26/98/91/1419269891.db2.gz DSMGVJRZSYRCQN-UXHICEINSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001717247441 1419291552 /nfs/dbraw/zinc/29/15/52/1419291552.db2.gz HPURYIIMLMHNEP-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310377 1419322373 /nfs/dbraw/zinc/32/23/73/1419322373.db2.gz GMMSHPGOIPPLTL-SJORKVTESA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717357633 1419352184 /nfs/dbraw/zinc/35/21/84/1419352184.db2.gz YNLOIWQKCWBAIV-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001717361189 1419354497 /nfs/dbraw/zinc/35/44/97/1419354497.db2.gz HQWOKLNFTPQIFX-LDQXTDLNSA-N 2 0 341.499 2.666 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365177 1419357892 /nfs/dbraw/zinc/35/78/92/1419357892.db2.gz JQPVTTCERHECNT-ICSRJNTNSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001717371488 1419363405 /nfs/dbraw/zinc/36/34/05/1419363405.db2.gz QDHNSYGBLSSWPG-VQTJNVASSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001717514577 1419422526 /nfs/dbraw/zinc/42/25/26/1419422526.db2.gz UGYZVGMRDXIECL-PMACEKPBSA-N 2 0 347.547 2.879 10 30 EFEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001717514579 1419422625 /nfs/dbraw/zinc/42/26/25/1419422625.db2.gz UGYZVGMRDXIECL-VQTJNVASSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[N@@H+](C)CC)[C@@H]2C1 ZINC001717604233 1419465748 /nfs/dbraw/zinc/46/57/48/1419465748.db2.gz OWZGPVODKBFMIN-HAGHYFMRSA-N 2 0 341.499 2.550 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001717629824 1419478700 /nfs/dbraw/zinc/47/87/00/1419478700.db2.gz XOQCUXFTANUTQK-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001717700816 1419514665 /nfs/dbraw/zinc/51/46/65/1419514665.db2.gz HVRCVGKMZUVZTF-YTQUADARSA-N 2 0 335.536 2.994 10 30 EFEERP C=CC[NH2+]CCC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001717717167 1419523914 /nfs/dbraw/zinc/52/39/14/1419523914.db2.gz QYTAOHFCNVKVKR-PMACEKPBSA-N 2 0 341.499 2.742 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001717756395 1419536997 /nfs/dbraw/zinc/53/69/97/1419536997.db2.gz DNAZNWYAPNREBQ-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001717821886 1419557579 /nfs/dbraw/zinc/55/75/79/1419557579.db2.gz KTXQOUKNEYRNFV-PXNSSMCTSA-N 2 0 343.515 2.950 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717874651 1419596845 /nfs/dbraw/zinc/59/68/45/1419596845.db2.gz FYLQVWPBZHGLFG-MSOLQXFVSA-N 2 0 333.520 2.703 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001717969995 1419634850 /nfs/dbraw/zinc/63/48/50/1419634850.db2.gz HABGQQZTCCYTAS-LJQANCHMSA-N 2 0 343.515 2.500 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(CC)CC)C(C)(C)C)CC1 ZINC001717973821 1419636403 /nfs/dbraw/zinc/63/64/03/1419636403.db2.gz MDIGWPLJXZUMMZ-LJQANCHMSA-N 2 0 349.563 2.888 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001717987254 1419644167 /nfs/dbraw/zinc/64/41/67/1419644167.db2.gz RRJFUGBKDWYSQG-GJZGRUSLSA-N 2 0 349.441 2.662 10 30 EFEERP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609710 1424535402 /nfs/dbraw/zinc/53/54/02/1424535402.db2.gz WGKJMARVSAJVAF-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001723610109 1424535462 /nfs/dbraw/zinc/53/54/62/1424535462.db2.gz YZDNDEWWEIGKGH-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001723648107 1424546845 /nfs/dbraw/zinc/54/68/45/1424546845.db2.gz YDMDBIZBDCITKO-HXUWFJFHSA-N 2 0 345.531 2.607 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H](C)C1 ZINC001723864658 1424598231 /nfs/dbraw/zinc/59/82/31/1424598231.db2.gz XBKAIIUMYLZGDV-AZUAARDMSA-N 2 0 343.515 2.706 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001724547233 1424790299 /nfs/dbraw/zinc/79/02/99/1424790299.db2.gz GWXXYBFGGYJMSC-YLJYHZDGSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001724547231 1424790768 /nfs/dbraw/zinc/79/07/68/1424790768.db2.gz GWXXYBFGGYJMSC-XLIONFOSSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001724649179 1424879923 /nfs/dbraw/zinc/87/99/23/1424879923.db2.gz LJYCZKNSCLVLET-CEXWTWQISA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001724654065 1424886979 /nfs/dbraw/zinc/88/69/79/1424886979.db2.gz SDBACVGEEHXAAJ-QRVBRYPASA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653945 1424887093 /nfs/dbraw/zinc/88/70/93/1424887093.db2.gz XADMVNRKYCPSQJ-RTBURBONSA-N 2 0 333.520 2.894 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001724659734 1424899463 /nfs/dbraw/zinc/89/94/63/1424899463.db2.gz RGBUHZXVCKSKSR-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001724660358 1424901198 /nfs/dbraw/zinc/90/11/98/1424901198.db2.gz XKCZSWKGNBHHPO-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001724738395 1424964359 /nfs/dbraw/zinc/96/43/59/1424964359.db2.gz KYOVPHBIVJMARX-SFHVURJKSA-N 2 0 341.499 2.632 10 30 EFEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724740271 1424967378 /nfs/dbraw/zinc/96/73/78/1424967378.db2.gz FBNFUSWKRYOGAL-GPMSIDNRSA-N 2 0 329.488 2.870 10 30 EFEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001724742801 1424970003 /nfs/dbraw/zinc/97/00/03/1424970003.db2.gz TUIQFVSOLJLGDX-HXUWFJFHSA-N 2 0 341.499 2.632 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724754132 1424983650 /nfs/dbraw/zinc/98/36/50/1424983650.db2.gz HZTHOBSVLLIBOV-VJANTYMQSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)CC1 ZINC001724760009 1424990799 /nfs/dbraw/zinc/99/07/99/1424990799.db2.gz PCTVYHHWUUJRLF-RBUKOAKNSA-N 2 0 345.531 2.894 10 30 EFEERP C#CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001724863267 1425078890 /nfs/dbraw/zinc/07/88/90/1425078890.db2.gz ORHJLFCJUIXBTC-PMACEKPBSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001724948246 1425155603 /nfs/dbraw/zinc/15/56/03/1425155603.db2.gz UYHSDRREFDHDRY-XLIONFOSSA-N 2 0 343.515 2.807 10 30 EFEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001724954876 1425163620 /nfs/dbraw/zinc/16/36/20/1425163620.db2.gz XRBKNEMJBJPCCI-GOSISDBHSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001725026146 1425236545 /nfs/dbraw/zinc/23/65/45/1425236545.db2.gz IHEROAGVLILAGP-GOSISDBHSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001725026097 1425236836 /nfs/dbraw/zinc/23/68/36/1425236836.db2.gz QRBBLGAPJPHFEL-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725055592 1425266722 /nfs/dbraw/zinc/26/67/22/1425266722.db2.gz MUMAHBVECVAYIT-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725056340 1425267321 /nfs/dbraw/zinc/26/73/21/1425267321.db2.gz TWNLCPNPYVJNBO-VQTJNVASSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725336665 1425481204 /nfs/dbraw/zinc/48/12/04/1425481204.db2.gz VNVPZBTUMGOTSD-OTWHNJEPSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001725338199 1425483979 /nfs/dbraw/zinc/48/39/79/1425483979.db2.gz ZWUPVIQOESYJFV-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001725585038 1425670200 /nfs/dbraw/zinc/67/02/00/1425670200.db2.gz NPAVYIVCSRXWMH-VQIMIIECSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)[C@H]2C)CC1 ZINC001725608328 1425698837 /nfs/dbraw/zinc/69/88/37/1425698837.db2.gz RIRUWNRROYIYCP-MJGOQNOKSA-N 2 0 347.547 2.737 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001725626224 1425722270 /nfs/dbraw/zinc/72/22/70/1425722270.db2.gz KVXDDIBGBKTXBM-WMZOPIPTSA-N 2 0 333.520 2.632 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001725680847 1425777055 /nfs/dbraw/zinc/77/70/55/1425777055.db2.gz KNTMYFKNHWNTTQ-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001725743099 1425810337 /nfs/dbraw/zinc/81/03/37/1425810337.db2.gz FMBQEVVZIKFQGT-KRWDZBQOSA-N 2 0 341.459 2.578 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001725817904 1425876901 /nfs/dbraw/zinc/87/69/01/1425876901.db2.gz YZHVJSNFZAIEJQ-IEBWSBKVSA-N 2 0 333.520 2.964 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001725817902 1425877269 /nfs/dbraw/zinc/87/72/69/1425877269.db2.gz YZHVJSNFZAIEJQ-HKUYNNGSSA-N 2 0 333.520 2.964 10 30 EFEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001725823054 1425881102 /nfs/dbraw/zinc/88/11/02/1425881102.db2.gz RMZNNQHRNFCQDP-LJQANCHMSA-N 2 0 333.520 2.823 10 30 EFEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001725828687 1425893812 /nfs/dbraw/zinc/89/38/12/1425893812.db2.gz ZRZHIEDKQHGCTH-LJQANCHMSA-N 2 0 333.520 2.964 10 30 EFEERP C=CC[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001725828763 1425894773 /nfs/dbraw/zinc/89/47/73/1425894773.db2.gz OICYNPSNTHXMNQ-LJQANCHMSA-N 2 0 327.472 2.614 10 30 EFEERP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731294597 1426372488 /nfs/dbraw/zinc/37/24/88/1426372488.db2.gz LVVDYYHVRPMJED-IEBWSBKVSA-N 2 0 333.520 2.633 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000417066570 720468223 /nfs/dbraw/zinc/46/82/23/720468223.db2.gz QMTLNOOYFQNRTD-SWDXFRIISA-N 2 0 348.535 2.609 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000907959553 727063352 /nfs/dbraw/zinc/06/33/52/727063352.db2.gz GPEFZVANBSPVIW-FQEVSTJZSA-N 2 0 329.488 2.523 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913098130 727780917 /nfs/dbraw/zinc/78/09/17/727780917.db2.gz YTCUYVZETUKQPF-LPHOPBHVSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000913098132 727780980 /nfs/dbraw/zinc/78/09/80/727780980.db2.gz YTCUYVZETUKQPF-VQIMIIECSA-N 2 0 329.488 2.521 10 30 EFEERP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157301 727874017 /nfs/dbraw/zinc/87/40/17/727874017.db2.gz AOUPPOQLADTLOK-SFHVURJKSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158661 727876093 /nfs/dbraw/zinc/87/60/93/727876093.db2.gz SBQKTCWEBGHDTL-IBGZPJMESA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC000941185727 727904026 /nfs/dbraw/zinc/90/40/26/727904026.db2.gz BDWOKVYQBNUPHK-PXNSSMCTSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832030 728274227 /nfs/dbraw/zinc/27/42/27/728274227.db2.gz UQJGLIZPMYFSOU-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(Cl)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979389 728347304 /nfs/dbraw/zinc/34/73/04/728347304.db2.gz IGHPUBGWLUEXQK-HRCADAONSA-N 2 0 341.927 2.686 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001569451607 1085236097 /nfs/dbraw/zinc/23/60/97/1085236097.db2.gz DGACDEDJKHMYPC-FQEVSTJZSA-N 2 0 347.547 2.833 10 30 EFEERP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001569452343 1085239255 /nfs/dbraw/zinc/23/92/55/1085239255.db2.gz UEECAVKCRCCYEX-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001569455259 1085240536 /nfs/dbraw/zinc/24/05/36/1085240536.db2.gz DPBVLULJQJJAFD-SFHVURJKSA-N 2 0 333.520 2.607 10 30 EFEERP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001569466782 1085260624 /nfs/dbraw/zinc/26/06/24/1085260624.db2.gz FKHKTZULYKOCJA-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3cncn3C)C2)C1 ZINC001569481095 1085290116 /nfs/dbraw/zinc/29/01/16/1085290116.db2.gz NXYQWRQBCFJXNB-FQEVSTJZSA-N 2 0 344.503 2.633 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001569522097 1085335017 /nfs/dbraw/zinc/33/50/17/1085335017.db2.gz JJTJFAZETNWOMK-APWZRJJASA-N 2 0 329.488 2.907 10 30 EFEERP C#CCN(C(=O)C[C@H](C)n1ccnc1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001569594004 1085417222 /nfs/dbraw/zinc/41/72/22/1085417222.db2.gz UBSMKPKKRAEAIL-DLBZAZTESA-N 2 0 348.466 2.509 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)c1ccc2ccccc2c1 ZINC001569598134 1085424332 /nfs/dbraw/zinc/42/43/32/1085424332.db2.gz WVAULWGLYHZWKZ-HXUWFJFHSA-N 2 0 337.467 2.562 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C1CCCC1 ZINC001569612384 1085437413 /nfs/dbraw/zinc/43/74/13/1085437413.db2.gz BZFPLQIWNCBGSY-VQTJNVASSA-N 2 0 341.499 2.577 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C1CCCC1 ZINC001569612383 1085437588 /nfs/dbraw/zinc/43/75/88/1085437588.db2.gz BZFPLQIWNCBGSY-UXHICEINSA-N 2 0 341.499 2.577 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001569625434 1085453989 /nfs/dbraw/zinc/45/39/89/1085453989.db2.gz WOAAJESYBBUVED-UYAOXDASSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001569648664 1085482368 /nfs/dbraw/zinc/48/23/68/1085482368.db2.gz YORWWBQIWDGADI-OAQYLSRUSA-N 2 0 343.515 2.951 10 30 EFEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001569716412 1085551324 /nfs/dbraw/zinc/55/13/24/1085551324.db2.gz XDVVWEGRPNEXKR-PZJWPPBQSA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799514 1085615537 /nfs/dbraw/zinc/61/55/37/1085615537.db2.gz GDCIEFOSKVICQL-PMACEKPBSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001569813920 1085632606 /nfs/dbraw/zinc/63/26/06/1085632606.db2.gz OCLNTIHCSPSHNO-ZBFHGGJFSA-N 2 0 326.444 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCCCCC)C2)CC1 ZINC001569829104 1085651989 /nfs/dbraw/zinc/65/19/89/1085651989.db2.gz SZHFWJMWTGNBPY-QUCCMNQESA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001569867304 1085695113 /nfs/dbraw/zinc/69/51/13/1085695113.db2.gz RCCWKHQSNKUEHP-UFYCRDLUSA-N 2 0 347.547 2.642 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C 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1093100717 /nfs/dbraw/zinc/10/07/17/1093100717.db2.gz DRUUBWAYRHKMAE-IAGOWNOFSA-N 2 0 341.927 2.974 10 30 EFEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267190126 1093133383 /nfs/dbraw/zinc/13/33/83/1093133383.db2.gz CKBJTYHENIPQOM-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267200708 1093172383 /nfs/dbraw/zinc/17/23/83/1093172383.db2.gz FMVNZQGOCSHMLT-IAGOWNOFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@@H+](CCNC(=O)c1ccn2c(C)cnc2c1)C1CC1 ZINC001267325194 1093580483 /nfs/dbraw/zinc/58/04/83/1093580483.db2.gz FLRHNVLDQKGPBJ-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C=C(C)CC[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267328207 1093590397 /nfs/dbraw/zinc/59/03/97/1093590397.db2.gz NOYDHARZOSDVJT-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376412 1094369442 /nfs/dbraw/zinc/36/94/42/1094369442.db2.gz DALKDWJUNNDJFD-IEBWSBKVSA-N 2 0 329.488 2.884 10 30 EFEERP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001268045856 1094828950 /nfs/dbraw/zinc/82/89/50/1094828950.db2.gz LAGCNRFATNCKJF-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001267486549 1094907821 /nfs/dbraw/zinc/90/78/21/1094907821.db2.gz GSMSYHZEUNRMLW-HNNXBMFYSA-N 2 0 347.528 2.663 10 30 EFEERP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001267501110 1095053236 /nfs/dbraw/zinc/05/32/36/1095053236.db2.gz IYDSKOWOBUYOCK-LJQANCHMSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001481516019 1095054525 /nfs/dbraw/zinc/05/45/25/1095054525.db2.gz KCCYJMXOMXTTGK-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001481516412 1095062684 /nfs/dbraw/zinc/06/26/84/1095062684.db2.gz DBEMUVWYIOPQNK-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001481518879 1095069512 /nfs/dbraw/zinc/06/95/12/1095069512.db2.gz LKYGZLXPGUKPIO-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267652829 1095329771 /nfs/dbraw/zinc/32/97/71/1095329771.db2.gz FKNIYVUNVAVCDZ-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268106182 1095368066 /nfs/dbraw/zinc/36/80/66/1095368066.db2.gz RVDMFTLXRVFBST-RTBURBONSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001268121438 1095413143 /nfs/dbraw/zinc/41/31/43/1095413143.db2.gz ACMYUBXEFMNZEZ-PKOBYXMFSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001268138146 1095476841 /nfs/dbraw/zinc/47/68/41/1095476841.db2.gz PSDDFJIDVKREQQ-QFBILLFUSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001268141142 1095489919 /nfs/dbraw/zinc/48/99/19/1095489919.db2.gz KDFDOWULDPPOPB-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267562692 1095563072 /nfs/dbraw/zinc/56/30/72/1095563072.db2.gz MIWNTNDEFFOEED-ICSRJNTNSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001267730536 1095732873 /nfs/dbraw/zinc/73/28/73/1095732873.db2.gz YRBJKEYZUUYDPK-YQVWRLOYSA-N 2 0 335.536 2.852 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001267730091 1095734797 /nfs/dbraw/zinc/73/47/97/1095734797.db2.gz NGICUPJEDZKUQN-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267589104 1096017221 /nfs/dbraw/zinc/01/72/21/1096017221.db2.gz LIVJALCADDSLFM-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268198491 1096078085 /nfs/dbraw/zinc/07/80/85/1096078085.db2.gz RSTYARCWCXHHCH-QFBILLFUSA-N 2 0 329.488 2.765 10 30 EFEERP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001268208058 1096103879 /nfs/dbraw/zinc/10/38/79/1096103879.db2.gz ZMSVOAATTMFSDL-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001267596301 1096120064 /nfs/dbraw/zinc/12/00/64/1096120064.db2.gz LZXUYQJMVDSEMV-PKOBYXMFSA-N 2 0 329.488 2.646 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268287530 1096262636 /nfs/dbraw/zinc/26/26/36/1096262636.db2.gz HAZSYKOUNURFKW-VQTJNVASSA-N 2 0 347.547 2.949 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481725749 1096416198 /nfs/dbraw/zinc/41/61/98/1096416198.db2.gz ALFMVIJFFVDRGD-CEXWTWQISA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001481747820 1096513540 /nfs/dbraw/zinc/51/35/40/1096513540.db2.gz TVOFKLXSQXKHEB-LJQANCHMSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCC2CCCCC2)CC1 ZINC001268425446 1096577589 /nfs/dbraw/zinc/57/75/89/1096577589.db2.gz FWTISNLDZYGZRJ-GOSISDBHSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001481850320 1096794459 /nfs/dbraw/zinc/79/44/59/1096794459.db2.gz KUYLBPSMPPLFDJ-CRAIPNDOSA-N 2 0 327.488 2.650 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001481897011 1096888167 /nfs/dbraw/zinc/88/81/67/1096888167.db2.gz KYBJOKZCRMSNBS-SFHVURJKSA-N 2 0 345.531 2.683 10 30 EFEERP C#CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001481931265 1096950246 /nfs/dbraw/zinc/95/02/46/1096950246.db2.gz MPYXYNKMVJUYKL-UWJYYQICSA-N 2 0 345.531 2.539 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481981381 1097035798 /nfs/dbraw/zinc/03/57/98/1097035798.db2.gz PBFHIKSLDCGWTP-SFHVURJKSA-N 2 0 347.547 2.881 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CC=C(C)C)CC2)CC1 ZINC001482008326 1097087265 /nfs/dbraw/zinc/08/72/65/1097087265.db2.gz OOCFXUUYMZDSAT-UHFFFAOYSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001482032521 1097124887 /nfs/dbraw/zinc/12/48/87/1097124887.db2.gz YFXPRNKCRAXKOZ-IBGZPJMESA-N 2 0 329.488 2.843 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001482072449 1097226414 /nfs/dbraw/zinc/22/64/14/1097226414.db2.gz ZZWSSYFETGRLCV-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268762990 1097607000 /nfs/dbraw/zinc/60/70/00/1097607000.db2.gz KFFQAQQWBMVRGB-ICSRJNTNSA-N 2 0 343.515 2.855 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001269167809 1097914411 /nfs/dbraw/zinc/91/44/11/1097914411.db2.gz BHHVQONABOISNK-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269255634 1097989712 /nfs/dbraw/zinc/98/97/12/1097989712.db2.gz RMDJGZHOJOOBGK-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001269255635 1097990280 /nfs/dbraw/zinc/99/02/80/1097990280.db2.gz RMDJGZHOJOOBGK-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001269291793 1098025906 /nfs/dbraw/zinc/02/59/06/1098025906.db2.gz IIFCMQDZBLZOEO-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001269601877 1098282142 /nfs/dbraw/zinc/28/21/42/1098282142.db2.gz PJBGQSUBKOFWFM-MOPGFXCFSA-N 2 0 345.531 2.894 10 30 EFEERP CC#CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001269616004 1098294438 /nfs/dbraw/zinc/29/44/38/1098294438.db2.gz GBMYFBBAEBAFLX-NRFANRHFSA-N 2 0 345.531 2.637 10 30 EFEERP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001269611854 1098296496 /nfs/dbraw/zinc/29/64/96/1098296496.db2.gz SZNROJDBCSPONJ-OALUTQOASA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001269676112 1098349850 /nfs/dbraw/zinc/34/98/50/1098349850.db2.gz GBWQUFRENTYOLT-QUCCMNQESA-N 2 0 333.520 2.540 10 30 EFEERP C=CCCC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001269677264 1098351802 /nfs/dbraw/zinc/35/18/02/1098351802.db2.gz PEHMLVRRIDMVBI-YLJYHZDGSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001269693133 1098373329 /nfs/dbraw/zinc/37/33/29/1098373329.db2.gz RATPPFJSEULJQS-QWFCFKBJSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001269709261 1098384696 /nfs/dbraw/zinc/38/46/96/1098384696.db2.gz UKQMOLZUVTWNQG-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001269761349 1098428950 /nfs/dbraw/zinc/42/89/50/1098428950.db2.gz ZFPOSUFKWOJMEG-OTWHNJEPSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001269988631 1098569879 /nfs/dbraw/zinc/56/98/79/1098569879.db2.gz DJFZTXHGKKQCIY-PKOBYXMFSA-N 2 0 347.547 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001269988630 1098570303 /nfs/dbraw/zinc/57/03/03/1098570303.db2.gz DJFZTXHGKKQCIY-MJGOQNOKSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001270058917 1098645696 /nfs/dbraw/zinc/64/56/96/1098645696.db2.gz OXYKCCDMVXFBEK-INIZCTEOSA-N 2 0 335.517 2.970 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001270075602 1098664713 /nfs/dbraw/zinc/66/47/13/1098664713.db2.gz HWIWQABPPPWFEZ-VQTJNVASSA-N 2 0 341.499 2.985 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCCCC)CC2)CC1 ZINC001267920963 1098665286 /nfs/dbraw/zinc/66/52/86/1098665286.db2.gz GWTMKTKFLGKAAV-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1 ZINC001267938980 1098761133 /nfs/dbraw/zinc/76/11/33/1098761133.db2.gz NPFUHYDVDANFOA-QZTJIDSGSA-N 2 0 338.455 2.506 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267944535 1098780845 /nfs/dbraw/zinc/78/08/45/1098780845.db2.gz BQMUGMWYONHIAU-IBGZPJMESA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270254152 1098867661 /nfs/dbraw/zinc/86/76/61/1098867661.db2.gz CZLSUBWZVYHMIN-RTBURBONSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC/C=C\CC)CC2)CC1 ZINC001270266546 1098886830 /nfs/dbraw/zinc/88/68/30/1098886830.db2.gz JRINXTOEBDMGCO-SREVYHEPSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001267975542 1099046045 /nfs/dbraw/zinc/04/60/45/1099046045.db2.gz ZTZFVOBOUYRGLJ-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001270511547 1099158787 /nfs/dbraw/zinc/15/87/87/1099158787.db2.gz BPIXOPAGJHYWJX-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001268016061 1099187491 /nfs/dbraw/zinc/18/74/91/1099187491.db2.gz YDINZSSPPTUJPI-SFHVURJKSA-N 2 0 345.531 2.564 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)C)cc1 ZINC001481359290 1099463898 /nfs/dbraw/zinc/46/38/98/1099463898.db2.gz HAWUUJZSNGIQDD-LJQANCHMSA-N 2 0 341.499 2.674 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001270744106 1099516281 /nfs/dbraw/zinc/51/62/81/1099516281.db2.gz HFWDPBOWJORUJW-LJQANCHMSA-N 2 0 332.492 2.721 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001270784791 1099560987 /nfs/dbraw/zinc/56/09/87/1099560987.db2.gz DYDLXFHSBLRSJW-SFHVURJKSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481399923 1099620455 /nfs/dbraw/zinc/62/04/55/1099620455.db2.gz ODHRGTATBKFQHZ-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP CCCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001270830489 1099678929 /nfs/dbraw/zinc/67/89/29/1099678929.db2.gz RKUBYRVDBMOMFB-IBGZPJMESA-N 2 0 335.536 2.881 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001279136666 1099703916 /nfs/dbraw/zinc/70/39/16/1099703916.db2.gz BKTFNRVENDPEIE-HKUYNNGSSA-N 2 0 343.515 2.665 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001270847267 1099709862 /nfs/dbraw/zinc/70/98/62/1099709862.db2.gz MRZPDFUAOUIYOD-ICSRJNTNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001270851194 1099719142 /nfs/dbraw/zinc/71/91/42/1099719142.db2.gz JCHMDAKCBVFTOB-OALUTQOASA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1CC)CC2 ZINC001270869790 1099918938 /nfs/dbraw/zinc/91/89/38/1099918938.db2.gz DQUVXLWLFJEPIG-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267900778 1099963855 /nfs/dbraw/zinc/96/38/55/1099963855.db2.gz NLKIHULYPVTRKW-GOSISDBHSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001482432328 1100180971 /nfs/dbraw/zinc/18/09/71/1100180971.db2.gz LRJKXFJVWGKURB-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001632591367 1100486373 /nfs/dbraw/zinc/48/63/73/1100486373.db2.gz HEXLBYLAGBARCF-HSALFYBXSA-N 2 0 341.499 2.521 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001671152612 1100498613 /nfs/dbraw/zinc/49/86/13/1100498613.db2.gz COOFGXRAEIZXEE-QGZVFWFLSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]C[C@@H](C)CC)CC1 ZINC001482459443 1100521103 /nfs/dbraw/zinc/52/11/03/1100521103.db2.gz CCRUDUGGZMCYQR-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001671188191 1100943934 /nfs/dbraw/zinc/94/39/34/1100943934.db2.gz IETLAGDCXAVLMO-ZWKOTPCHSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001266593802 1101320052 /nfs/dbraw/zinc/32/00/52/1101320052.db2.gz XHUXDPMXNPUGOB-BZSNNMDCSA-N 2 0 333.520 2.844 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001670581133 1101358209 /nfs/dbraw/zinc/35/82/09/1101358209.db2.gz DPTOVTQCOISSNL-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001670583376 1101362786 /nfs/dbraw/zinc/36/27/86/1101362786.db2.gz YJFWARCIQPAKIG-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001482483717 1101486670 /nfs/dbraw/zinc/48/66/70/1101486670.db2.gz WINPZCBGGLTSNJ-AZUAARDMSA-N 2 0 343.515 2.564 10 30 EFEERP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001271439586 1101705228 /nfs/dbraw/zinc/70/52/28/1101705228.db2.gz SWARADFNEJKXNL-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001266371158 1101763959 /nfs/dbraw/zinc/76/39/59/1101763959.db2.gz TUZBTWZHLUVMTI-MSOLQXFVSA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[NH+]1CCC(N(CCC)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001266388849 1101819220 /nfs/dbraw/zinc/81/92/20/1101819220.db2.gz TYTBSDXIPGCSEF-UHFFFAOYSA-N 2 0 338.455 2.593 10 30 EFEERP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001656399035 1102053592 /nfs/dbraw/zinc/05/35/92/1102053592.db2.gz TZQXOIVWKKGIMZ-OALUTQOASA-N 2 0 347.547 2.833 10 30 EFEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001271534954 1102079642 /nfs/dbraw/zinc/07/96/42/1102079642.db2.gz RIMWLEGKFSWZEP-UYAOXDASSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001656449061 1102092486 /nfs/dbraw/zinc/09/24/86/1102092486.db2.gz YQQXLGAIGPEGSA-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656673855 1102168865 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2.807 10 30 EFEERP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001271678366 1102241585 /nfs/dbraw/zinc/24/15/85/1102241585.db2.gz QOZXKSHJDKNRMA-XLIONFOSSA-N 2 0 341.499 2.602 10 30 EFEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001271678364 1102242006 /nfs/dbraw/zinc/24/20/06/1102242006.db2.gz QOZXKSHJDKNRMA-FXAWDEMLSA-N 2 0 341.499 2.602 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001656889298 1102242236 /nfs/dbraw/zinc/24/22/36/1102242236.db2.gz HHDXXTLYZXACEU-KRWDZBQOSA-N 2 0 347.528 2.807 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266805323 1102283357 /nfs/dbraw/zinc/28/33/57/1102283357.db2.gz ZMQSTLGGVGRLJY-QUCCMNQESA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001657105764 1102335158 /nfs/dbraw/zinc/33/51/58/1102335158.db2.gz CDAGSQMTVSODRV-MOPGFXCFSA-N 2 0 347.547 2.737 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001657105767 1102335588 /nfs/dbraw/zinc/33/55/88/1102335588.db2.gz CDAGSQMTVSODRV-RTBURBONSA-N 2 0 347.547 2.737 10 30 EFEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482501413 1102423413 /nfs/dbraw/zinc/42/34/13/1102423413.db2.gz OQMPZVXQJFFEEY-PXNSSMCTSA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC001482506928 1102439554 /nfs/dbraw/zinc/43/95/54/1102439554.db2.gz NEZHUOQECINXTN-SFHVURJKSA-N 2 0 344.503 2.500 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266519983 1102490784 /nfs/dbraw/zinc/49/07/84/1102490784.db2.gz COMKCLVOCOXKGB-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001271738418 1102546195 /nfs/dbraw/zinc/54/61/95/1102546195.db2.gz HDKRJLFMWLAPFJ-FXAWDEMLSA-N 2 0 341.499 2.602 10 30 EFEERP C#C[C@H](C)[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001659622615 1102553932 /nfs/dbraw/zinc/55/39/32/1102553932.db2.gz XTHPXWHIXNKKRB-INIZCTEOSA-N 2 0 329.444 2.803 10 30 EFEERP C#CCN(C)CCC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001659900309 1102576724 /nfs/dbraw/zinc/57/67/24/1102576724.db2.gz HEHVOTWHBBBDHS-IBGZPJMESA-N 2 0 337.508 2.568 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266896353 1102625909 /nfs/dbraw/zinc/62/59/09/1102625909.db2.gz ZSZXUGOEASVISK-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266896354 1102628025 /nfs/dbraw/zinc/62/80/25/1102628025.db2.gz ZSZXUGOEASVISK-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001271777302 1102656704 /nfs/dbraw/zinc/65/67/04/1102656704.db2.gz NDXMNDIYHUTLED-IYARVYRRSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001266545257 1102657966 /nfs/dbraw/zinc/65/79/66/1102657966.db2.gz OJXXPHIKUYYCBS-HKUYNNGSSA-N 2 0 329.488 2.694 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001670479626 1102706074 /nfs/dbraw/zinc/70/60/74/1102706074.db2.gz JRTSPWSYCMWBCA-OALUTQOASA-N 2 0 333.520 2.844 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CCC(=C)C)CC1 ZINC001660475318 1102782336 /nfs/dbraw/zinc/78/23/36/1102782336.db2.gz LRBPUJOLRNOYKY-UYAOXDASSA-N 2 0 345.531 2.657 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C(C)C ZINC001271853811 1102916519 /nfs/dbraw/zinc/91/65/19/1102916519.db2.gz LYLUHIGXGIMEPY-PMACEKPBSA-N 2 0 345.531 2.705 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001661221640 1103187485 /nfs/dbraw/zinc/18/74/85/1103187485.db2.gz ZHJYXCFUXZFYJS-FHWLQOOXSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001661555174 1103315106 /nfs/dbraw/zinc/31/51/06/1103315106.db2.gz KEVBPPDUKHRNJK-VQTJNVASSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001661665701 1103353070 /nfs/dbraw/zinc/35/30/70/1103353070.db2.gz KEINFUZPQCTSCC-LZQZEXGQSA-N 2 0 329.488 2.953 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001661842424 1103459179 /nfs/dbraw/zinc/45/91/79/1103459179.db2.gz OLGFKQADJNHZHK-VOFKWLDRSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661843048 1103459471 /nfs/dbraw/zinc/45/94/71/1103459471.db2.gz YZITXQWLTMBKTB-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001661976781 1103528196 /nfs/dbraw/zinc/52/81/96/1103528196.db2.gz GUTFOMSJDXPYNC-RTBURBONSA-N 2 0 347.547 2.833 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001482571364 1103690180 /nfs/dbraw/zinc/69/01/80/1103690180.db2.gz LNVGXPDKTMXXIO-DLBZAZTESA-N 2 0 343.943 2.980 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001662796565 1103817467 /nfs/dbraw/zinc/81/74/67/1103817467.db2.gz BHBFGQHYOPUPHK-OALUTQOASA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001662797002 1103819667 /nfs/dbraw/zinc/81/96/67/1103819667.db2.gz KIZUNCHMMSTYGC-VQTJNVASSA-N 2 0 347.547 2.929 10 30 EFEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001662878754 1103884443 /nfs/dbraw/zinc/88/44/43/1103884443.db2.gz VQUMXABJIZVCAR-KRWDZBQOSA-N 2 0 345.487 2.681 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001663067836 1103958580 /nfs/dbraw/zinc/95/85/80/1103958580.db2.gz YKBVZUNFXKYZQX-QGZVFWFLSA-N 2 0 347.528 2.807 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001663115311 1103991906 /nfs/dbraw/zinc/99/19/06/1103991906.db2.gz UPGNFRXTNBZMBK-FQEVSTJZSA-N 2 0 341.499 2.746 10 30 EFEERP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001663123537 1103999099 /nfs/dbraw/zinc/99/90/99/1103999099.db2.gz HYBMJIQCELEORN-QGZVFWFLSA-N 2 0 341.927 2.976 10 30 EFEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001482599687 1104417818 /nfs/dbraw/zinc/41/78/18/1104417818.db2.gz ZLBGROGYZNDUNC-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001664561284 1104448140 /nfs/dbraw/zinc/44/81/40/1104448140.db2.gz DVDWKQACHWKQCI-YLJYHZDGSA-N 2 0 341.499 2.532 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001483624138 1104484765 /nfs/dbraw/zinc/48/47/65/1104484765.db2.gz YAXLMWFFPKJERO-ICSRJNTNSA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664679043 1104498829 /nfs/dbraw/zinc/49/88/29/1104498829.db2.gz SMRYLYQWRYGTDE-QFBILLFUSA-N 2 0 339.499 2.698 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001664818514 1104564015 /nfs/dbraw/zinc/56/40/15/1104564015.db2.gz UTHPFLBJIVOGQR-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001664884285 1104592626 /nfs/dbraw/zinc/59/26/26/1104592626.db2.gz HDFKDRXOTWZMQK-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001272079233 1104629893 /nfs/dbraw/zinc/62/98/93/1104629893.db2.gz ZUDJHVWTVNGEAW-IPMKNSEASA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001665305307 1104664849 /nfs/dbraw/zinc/66/48/49/1104664849.db2.gz OWHQIOLPMWKCFM-CQSZACIVSA-N 2 0 326.444 2.659 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001482657612 1104749299 /nfs/dbraw/zinc/74/92/99/1104749299.db2.gz AMNBPEYQPFVWRZ-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CCCC(C)(C)C)CC1 ZINC001665888802 1104799806 /nfs/dbraw/zinc/79/98/06/1104799806.db2.gz WCMWUXYSQQIXCM-SFHVURJKSA-N 2 0 335.536 2.642 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001482680160 1104891551 /nfs/dbraw/zinc/89/15/51/1104891551.db2.gz VSKWOAWUUGCIFD-HOCLYGCPSA-N 2 0 335.517 2.874 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001666223515 1104906186 /nfs/dbraw/zinc/90/61/86/1104906186.db2.gz KFNBPCBXVXDFSL-UHFFFAOYSA-N 2 0 326.444 2.661 10 30 EFEERP C#CC[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001666340883 1104928924 /nfs/dbraw/zinc/92/89/24/1104928924.db2.gz CWVVZTUJBDWGEY-UHFFFAOYSA-N 2 0 341.499 2.538 10 30 EFEERP C#CC[NH2+]Cc1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001666341077 1104929914 /nfs/dbraw/zinc/92/99/14/1104929914.db2.gz KGCWSSVIFYGZPD-UHFFFAOYSA-N 2 0 341.499 2.680 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001666767581 1104994841 /nfs/dbraw/zinc/99/48/41/1104994841.db2.gz KWBAAQGDSLOJJC-MSOLQXFVSA-N 2 0 333.520 2.988 10 30 EFEERP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001666782936 1104997562 /nfs/dbraw/zinc/99/75/62/1104997562.db2.gz UIBYZGRXJGGGSA-IBGZPJMESA-N 2 0 345.531 2.825 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001666796216 1104998101 /nfs/dbraw/zinc/99/81/01/1104998101.db2.gz PGLZZYSAPLYFHU-ROUUACIJSA-N 2 0 333.520 2.988 10 30 EFEERP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001667100844 1105051952 /nfs/dbraw/zinc/05/19/52/1105051952.db2.gz HRLQQAHJYFDTSJ-QUCCMNQESA-N 2 0 347.547 2.927 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001667262382 1105101565 /nfs/dbraw/zinc/10/15/65/1105101565.db2.gz JHJHEADZJWGQMR-INIZCTEOSA-N 2 0 327.900 2.584 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CC=C(C)C)CC1 ZINC001667400894 1105140545 /nfs/dbraw/zinc/14/05/45/1105140545.db2.gz PHQFJKDEIQFQAQ-AZUAARDMSA-N 2 0 345.531 2.515 10 30 EFEERP C#CC[N@@H+](C)CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001667426069 1105145093 /nfs/dbraw/zinc/14/50/93/1105145093.db2.gz GGTDDSJMVHQPEI-UHFFFAOYSA-N 2 0 341.499 2.556 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001668282555 1105273453 /nfs/dbraw/zinc/27/34/53/1105273453.db2.gz DBAQQPASPHBZNA-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001482970478 1105273504 /nfs/dbraw/zinc/27/35/04/1105273504.db2.gz VAQXGBYQJVOXEY-GOSISDBHSA-N 2 0 341.499 2.531 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCC2=CCCCC2)CC1 ZINC001668653029 1105341139 /nfs/dbraw/zinc/34/11/39/1105341139.db2.gz ZSYGEKOUDPCOQW-UHFFFAOYSA-N 2 0 345.531 2.660 10 30 EFEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001671419430 1105634706 /nfs/dbraw/zinc/63/47/06/1105634706.db2.gz OWLXPOIOFZFBTR-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001671481296 1105641985 /nfs/dbraw/zinc/64/19/85/1105641985.db2.gz FRWAEPCNGUJQOP-ICSRJNTNSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001671491763 1105644906 /nfs/dbraw/zinc/64/49/06/1105644906.db2.gz IZFQRUYEASKEBN-GOSISDBHSA-N 2 0 345.531 2.609 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCC1 ZINC001671541299 1105654632 /nfs/dbraw/zinc/65/46/32/1105654632.db2.gz GDJOCTABQAFQJS-LJQANCHMSA-N 2 0 338.455 2.544 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001671775763 1105700929 /nfs/dbraw/zinc/70/09/29/1105700929.db2.gz WVTOHHSCMAGWJJ-ICSRJNTNSA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001671814703 1105708557 /nfs/dbraw/zinc/70/85/57/1105708557.db2.gz CIBZJPBTDISJES-FQEVSTJZSA-N 2 0 345.487 2.587 10 30 EFEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001671839654 1105711501 /nfs/dbraw/zinc/71/15/01/1105711501.db2.gz PWFDDRYYWPHWQM-IBGZPJMESA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671886988 1105721384 /nfs/dbraw/zinc/72/13/84/1105721384.db2.gz FREKBZVTJSZLNN-UYAOXDASSA-N 2 0 333.520 2.513 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001671891949 1105723308 /nfs/dbraw/zinc/72/33/08/1105723308.db2.gz IVYSBHZDVIQVNW-NRFANRHFSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001671916406 1105729974 /nfs/dbraw/zinc/72/99/74/1105729974.db2.gz KYMJXTRRPZHFOD-KXBFYZLASA-N 2 0 332.492 2.834 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001672368779 1105814686 /nfs/dbraw/zinc/81/46/86/1105814686.db2.gz HRFLNGKCVIOHFR-GUDVDZBRSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001672396924 1105823881 /nfs/dbraw/zinc/82/38/81/1105823881.db2.gz WAHAFQWDLMMOIL-UHFFFAOYSA-N 2 0 349.478 2.613 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001672416150 1105827665 /nfs/dbraw/zinc/82/76/65/1105827665.db2.gz CRALWFHIIYVQMF-GBESFXJTSA-N 2 0 347.547 2.996 10 30 EFEERP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001672531009 1105859344 /nfs/dbraw/zinc/85/93/44/1105859344.db2.gz PEPBVDVCACDXGX-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001672538163 1105864206 /nfs/dbraw/zinc/86/42/06/1105864206.db2.gz NPAGNOUFSHKCTK-GBESFXJTSA-N 2 0 335.536 2.974 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001672538598 1105866531 /nfs/dbraw/zinc/86/65/31/1105866531.db2.gz SZYDVQNUJSGFRH-OALUTQOASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001673009162 1105958867 /nfs/dbraw/zinc/95/88/67/1105958867.db2.gz RDJNOQIFXGEGJH-GBESFXJTSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001673016274 1105959699 /nfs/dbraw/zinc/95/96/99/1105959699.db2.gz FBHICDYFWQYRAR-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001673079577 1105970550 /nfs/dbraw/zinc/97/05/50/1105970550.db2.gz GJYULUVPSNWHOI-LJQANCHMSA-N 2 0 329.488 2.577 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001673496138 1106034085 /nfs/dbraw/zinc/03/40/85/1106034085.db2.gz HMPBSMNBXHFNCE-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001673769654 1106085443 /nfs/dbraw/zinc/08/54/43/1106085443.db2.gz QNFGXMKXHMTJLC-QFBILLFUSA-N 2 0 341.499 2.925 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001673885771 1106097494 /nfs/dbraw/zinc/09/74/94/1106097494.db2.gz QJLHOASMHZGFFD-KSSFIOAISA-N 2 0 326.444 2.659 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001674033025 1106127607 /nfs/dbraw/zinc/12/76/07/1106127607.db2.gz DTTMOXSMCRZEBX-MOPGFXCFSA-N 2 0 347.547 2.737 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001674132878 1106142578 /nfs/dbraw/zinc/14/25/78/1106142578.db2.gz BSEFRBYAUORORD-SJORKVTESA-N 2 0 333.520 2.632 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001674343655 1106175360 /nfs/dbraw/zinc/17/53/60/1106175360.db2.gz ZKCMAGGQSVMAAE-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001674353335 1106176116 /nfs/dbraw/zinc/17/61/16/1106176116.db2.gz MADSIYVLQNLHNF-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001674425019 1106185532 /nfs/dbraw/zinc/18/55/32/1106185532.db2.gz MAPIFBWXXACGIX-VAMGGRTRSA-N 2 0 341.499 2.809 10 30 EFEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001674491917 1106204927 /nfs/dbraw/zinc/20/49/27/1106204927.db2.gz SXHLEBQSLZUDCE-VQTJNVASSA-N 2 0 341.499 2.626 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001674510232 1106211211 /nfs/dbraw/zinc/21/12/11/1106211211.db2.gz HEWXDFYPPREPTQ-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001675363510 1106347980 /nfs/dbraw/zinc/34/79/80/1106347980.db2.gz KDMDBPATAUPDSW-QGZVFWFLSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001675636966 1106401371 /nfs/dbraw/zinc/40/13/71/1106401371.db2.gz YBPGUHFKUOYGGO-RCCFBDPRSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001675666438 1106407531 /nfs/dbraw/zinc/40/75/31/1106407531.db2.gz YNIIGMJWBPFVEK-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCCCCC)CC2)CC1 ZINC001676082443 1106482632 /nfs/dbraw/zinc/48/26/32/1106482632.db2.gz MQICTDZKCUNHHE-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676089838 1106484255 /nfs/dbraw/zinc/48/42/55/1106484255.db2.gz UNBNAEBREUQVTL-GOSISDBHSA-N 2 0 349.906 2.699 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001676839200 1106601146 /nfs/dbraw/zinc/60/11/46/1106601146.db2.gz ZSAKRGGTKJCGPX-YTQUADARSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001676846718 1106602661 /nfs/dbraw/zinc/60/26/61/1106602661.db2.gz RXODBZKYEAEABF-SLFFLAALSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001676845912 1106602919 /nfs/dbraw/zinc/60/29/19/1106602919.db2.gz NKLHBFWFCYRCBN-YESZJQIVSA-N 2 0 341.927 2.688 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001676999174 1106645648 /nfs/dbraw/zinc/64/56/48/1106645648.db2.gz SIPKOHJHVLUZCP-MOPGFXCFSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001677028048 1106652158 /nfs/dbraw/zinc/65/21/58/1106652158.db2.gz FZASUVRSVGOXFC-SJLPKXTDSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001677028046 1106652191 /nfs/dbraw/zinc/65/21/91/1106652191.db2.gz FZASUVRSVGOXFC-AEFFLSMTSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001677342208 1106701363 /nfs/dbraw/zinc/70/13/63/1106701363.db2.gz RQQFJODEBFWUSI-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001677376644 1106710355 /nfs/dbraw/zinc/71/03/55/1106710355.db2.gz XXCMDTXRQMPIKI-LSDHHAIUSA-N 2 0 349.441 2.663 10 30 EFEERP CC[NH+]=C(NCC1CCSCC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000086913853 1106757236 /nfs/dbraw/zinc/75/72/36/1106757236.db2.gz WLOMDJRUOPRZEB-ALOPSCKCSA-N 2 0 338.565 2.700 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001272341705 1107971490 /nfs/dbraw/zinc/97/14/90/1107971490.db2.gz CODGJNODKKKBCT-SJLPKXTDSA-N 2 0 345.487 2.633 10 30 EFEERP CC#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001483813282 1112480808 /nfs/dbraw/zinc/48/08/08/1112480808.db2.gz LNEQENJCXVJTPP-LJQANCHMSA-N 2 0 335.536 2.737 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCCCC1 ZINC001483813466 1112480938 /nfs/dbraw/zinc/48/09/38/1112480938.db2.gz TUZJYHDVUDICJT-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001483829264 1112489639 /nfs/dbraw/zinc/48/96/39/1112489639.db2.gz BRCPHMCSKWVKQO-MJGOQNOKSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483929588 1112572140 /nfs/dbraw/zinc/57/21/40/1112572140.db2.gz MPWXGQVAYCVLAM-RTBURBONSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001483938124 1112578854 /nfs/dbraw/zinc/57/88/54/1112578854.db2.gz PSXBWJNKSBWBJQ-SFHVURJKSA-N 2 0 329.488 2.561 10 30 EFEERP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001483986812 1112632248 /nfs/dbraw/zinc/63/22/48/1112632248.db2.gz SUPMVAGJJHFEBQ-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001483988454 1112634210 /nfs/dbraw/zinc/63/42/10/1112634210.db2.gz BSNARQFRYKEDMA-QUCCMNQESA-N 2 0 347.547 2.689 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001483989110 1112635140 /nfs/dbraw/zinc/63/51/40/1112635140.db2.gz XEFPPEVZZPMIHX-AZUAARDMSA-N 2 0 349.563 2.935 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCCC)CC1 ZINC001483989727 1112635725 /nfs/dbraw/zinc/63/57/25/1112635725.db2.gz VJCGQSMGPQAZRW-UHFFFAOYSA-N 2 0 333.520 2.589 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc2ccccc2c1 ZINC001483992897 1112641255 /nfs/dbraw/zinc/64/12/55/1112641255.db2.gz QNBJHVFYFIZANO-UTKZUKDTSA-N 2 0 349.478 2.562 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484548693 1113001114 /nfs/dbraw/zinc/00/11/14/1113001114.db2.gz XTXJEPIYLZMLKI-QUCCMNQESA-N 2 0 341.499 2.531 10 30 EFEERP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001484557159 1113009096 /nfs/dbraw/zinc/00/90/96/1113009096.db2.gz GDQKVGBHBDVDIW-UHFFFAOYSA-N 2 0 347.890 2.583 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001484558607 1113012132 /nfs/dbraw/zinc/01/21/32/1113012132.db2.gz JPQDIFYRVDUOHS-JXFKEZNVSA-N 2 0 341.499 2.871 10 30 EFEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001484559929 1113013470 /nfs/dbraw/zinc/01/34/70/1113013470.db2.gz BTTQUCYTZZDGEL-MRXNPFEDSA-N 2 0 327.472 2.768 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001484562792 1113024437 /nfs/dbraw/zinc/02/44/37/1113024437.db2.gz GNVXPEZFDPMYNH-SFHVURJKSA-N 2 0 341.499 2.853 10 30 EFEERP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001484613004 1113056080 /nfs/dbraw/zinc/05/60/80/1113056080.db2.gz VYDZVAUULKXAFF-HXUWFJFHSA-N 2 0 343.515 2.823 10 30 EFEERP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001484830183 1117748614 /nfs/dbraw/zinc/74/86/14/1117748614.db2.gz NPZZIFFEIFZWOC-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001484820266 1117754470 /nfs/dbraw/zinc/75/44/70/1117754470.db2.gz LZOITJOMSPATHL-INIZCTEOSA-N 2 0 341.927 2.974 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001484940918 1117865094 /nfs/dbraw/zinc/86/50/94/1117865094.db2.gz SEZJKFJFBGPXPK-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001484984258 1117909482 /nfs/dbraw/zinc/90/94/82/1117909482.db2.gz ZTVAHJPADKKNAD-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485005323 1117934732 /nfs/dbraw/zinc/93/47/32/1117934732.db2.gz ALINJPKBGKCMAS-HXUWFJFHSA-N 2 0 341.499 2.764 10 30 EFEERP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001485081525 1118031719 /nfs/dbraw/zinc/03/17/19/1118031719.db2.gz FCYMCSNXZWOJFX-ROUUACIJSA-N 2 0 335.536 2.711 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001485176872 1118112047 /nfs/dbraw/zinc/11/20/47/1118112047.db2.gz XTZMYOXQYMPZIV-GJZGRUSLSA-N 2 0 337.895 2.640 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230733 1118156430 /nfs/dbraw/zinc/15/64/30/1118156430.db2.gz XIZYVDKLNDLNGZ-ZWKOTPCHSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C(C)(C)C1 ZINC001485569808 1118456645 /nfs/dbraw/zinc/45/66/45/1118456645.db2.gz OJXQLJUFANHBPG-MRXNPFEDSA-N 2 0 332.492 2.719 10 30 EFEERP C=CC[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001485661582 1118510830 /nfs/dbraw/zinc/51/08/30/1118510830.db2.gz DVKLICQTLJTVJJ-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001485689901 1118521874 /nfs/dbraw/zinc/52/18/74/1118521874.db2.gz YCNFWHYXHZSRDK-BZSNNMDCSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001485740153 1118552283 /nfs/dbraw/zinc/55/22/83/1118552283.db2.gz IBYVCKSCFABAAY-JKSUJKDBSA-N 2 0 329.916 2.876 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001485759196 1118563809 /nfs/dbraw/zinc/56/38/09/1118563809.db2.gz LWUQHOGUZGIINM-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800799 1118634069 /nfs/dbraw/zinc/63/40/69/1118634069.db2.gz HMHCBBZEUHNXFH-RTBURBONSA-N 2 0 345.531 2.633 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092990 1118667346 /nfs/dbraw/zinc/66/73/46/1118667346.db2.gz IMYSFUOXXYTDJT-LJQANCHMSA-N 2 0 341.499 2.602 10 30 EFEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NCC1CCC(C(F)(F)F)CC1 ZINC000262540250 240360637 /nfs/dbraw/zinc/36/06/37/240360637.db2.gz QZJCSYCBWRMNKG-RUXDESIVSA-N 2 0 334.430 2.614 10 30 EFEERP C[NH+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262627768 240362500 /nfs/dbraw/zinc/36/25/00/240362500.db2.gz DTXPHXBNPWEXRQ-HSTIPLNKSA-N 2 0 348.441 2.611 10 30 EFEERP C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CCN(C2CC2)C1 ZINC000262030194 240342383 /nfs/dbraw/zinc/34/23/83/240342383.db2.gz SGZDXXSRVKEPPR-SFHVURJKSA-N 2 0 349.482 2.650 10 30 EFEERP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)NC1CC[NH+](C2CC2)CC1 ZINC000262792832 240370817 /nfs/dbraw/zinc/37/08/17/240370817.db2.gz OOIULEUMTGJZSR-UHFFFAOYSA-N 2 0 349.548 2.867 10 30 EFEERP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262803537 240370918 /nfs/dbraw/zinc/37/09/18/240370918.db2.gz RJYZPSBCTNESKB-TZMCWYRMSA-N 2 0 349.548 2.865 10 30 EFEERP [NH2+]=C(N[C@H]1CC12CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263289438 240382526 /nfs/dbraw/zinc/38/25/26/240382526.db2.gz VUGCONGWDJHWDL-SFHVURJKSA-N 2 0 326.488 2.888 10 30 EFEERP N#C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414296949 244079122 /nfs/dbraw/zinc/07/91/22/244079122.db2.gz FWGNIVJADATDJB-RTBURBONSA-N 2 0 327.472 2.685 10 30 EFEERP COc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C#N ZINC000423131466 274094947 /nfs/dbraw/zinc/09/49/47/274094947.db2.gz ZXHJAGJEKKAFGG-GHTZIAJQSA-N 2 0 349.434 2.912 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000572354824 319661025 /nfs/dbraw/zinc/66/10/25/319661025.db2.gz GOGGKOZATRPHGP-UHFFFAOYSA-N 2 0 328.460 2.750 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000582235567 324550459 /nfs/dbraw/zinc/55/04/59/324550459.db2.gz FDMPVVYIZLRRKT-FUDRRUEFSA-N 2 0 326.444 2.516 10 30 EFEERP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000057847224 472484993 /nfs/dbraw/zinc/48/49/93/472484993.db2.gz MFZMYCMADMZECB-MRXNPFEDSA-N 2 0 342.487 2.939 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107848184 472986904 /nfs/dbraw/zinc/98/69/04/472986904.db2.gz PHHBGYVWQKFXJY-IBGZPJMESA-N 2 0 348.535 2.687 10 30 EFEERP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000123464397 473143634 /nfs/dbraw/zinc/14/36/34/473143634.db2.gz SINJNVAGDXLFTO-BBRMVZONSA-N 2 0 348.878 2.955 10 30 EFEERP C=CCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000127651505 473637338 /nfs/dbraw/zinc/63/73/38/473637338.db2.gz DMZXEEXGIPJJBZ-NHCUHLMSSA-N 2 0 346.515 2.691 10 30 EFEERP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492480 473879594 /nfs/dbraw/zinc/87/95/94/473879594.db2.gz HFBJEBJKLBUFKD-YZGWKJHDSA-N 2 0 325.456 2.540 10 30 EFEERP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492449 473879971 /nfs/dbraw/zinc/87/99/71/473879971.db2.gz HFBJEBJKLBUFKD-DFQSSKMNSA-N 2 0 325.456 2.540 10 30 EFEERP C=CCCC[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000181425038 474035502 /nfs/dbraw/zinc/03/55/02/474035502.db2.gz KNPNODLEEOMYHQ-HTUJPFKRSA-N 2 0 348.535 2.684 10 30 EFEERP N#CCCOCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858104 474679371 /nfs/dbraw/zinc/67/93/71/474679371.db2.gz RFWQCSZUCANOJY-WOJBJXKFSA-N 2 0 327.472 2.903 10 30 EFEERP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000310837550 474829645 /nfs/dbraw/zinc/82/96/45/474829645.db2.gz MZPDQXWKCNXPTO-SESVDKBCSA-N 2 0 334.467 2.897 10 30 EFEERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358576237 475781577 /nfs/dbraw/zinc/78/15/77/475781577.db2.gz SYJAJYCDEWQYLX-HZPDHXFCSA-N 2 0 332.467 2.622 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000349722141 475991061 /nfs/dbraw/zinc/99/10/61/475991061.db2.gz JQDRJIYNGFWNCG-RBUKOAKNSA-N 2 0 348.535 2.563 10 30 EFEERP N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390878303 476808333 /nfs/dbraw/zinc/80/83/33/476808333.db2.gz UBVRPJOSYSVPKO-ZCNNSNEGSA-N 2 0 327.472 2.949 10 30 EFEERP C=CCOc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415056667 476907654 /nfs/dbraw/zinc/90/76/54/476907654.db2.gz QDNYTUZPHZVETR-UHFFFAOYSA-N 2 0 329.488 2.557 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123592 476908286 /nfs/dbraw/zinc/90/82/86/476908286.db2.gz LHUYBUJBFMJGJX-ICSRJNTNSA-N 2 0 330.472 2.970 10 30 EFEERP COC[C@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[NH2+]1 ZINC000423413592 477025449 /nfs/dbraw/zinc/02/54/49/477025449.db2.gz KXACXIDPOMRUBS-SOAGJPPSSA-N 2 0 327.472 2.749 10 30 EFEERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000590645828 478274239 /nfs/dbraw/zinc/27/42/39/478274239.db2.gz VKCVENMQKBSWCL-SFHVURJKSA-N 2 0 340.515 2.660 10 30 EFEERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000590764219 478327547 /nfs/dbraw/zinc/32/75/47/478327547.db2.gz DPDJSQKGJZBGBH-UHFFFAOYSA-N 2 0 342.531 2.993 10 30 EFEERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435146 478384351 /nfs/dbraw/zinc/38/43/51/478384351.db2.gz BJSTWQWOZUCSIY-GOSISDBHSA-N 2 0 330.476 2.508 10 30 EFEERP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436824 478386992 /nfs/dbraw/zinc/38/69/92/478386992.db2.gz GGTKMVWQEDZFNT-NEWSRXKRSA-N 2 0 342.487 2.567 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000594439567 478388387 /nfs/dbraw/zinc/38/83/87/478388387.db2.gz XIPSGYQCZZQEOR-ZWKOTPCHSA-N 2 0 334.508 2.512 10 30 EFEERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441308 478391065 /nfs/dbraw/zinc/39/10/65/478391065.db2.gz QSOHJZRQCWNULW-GOSISDBHSA-N 2 0 330.476 2.554 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000594447209 478394060 /nfs/dbraw/zinc/39/40/60/478394060.db2.gz VLUOKPNFLKMNEQ-GOSISDBHSA-N 2 0 334.508 2.512 10 30 EFEERP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493915 478410231 /nfs/dbraw/zinc/41/02/31/478410231.db2.gz AVQCSCPWYZNHID-UHFFFAOYSA-N 2 0 328.504 2.603 10 30 EFEERP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000594524389 478426159 /nfs/dbraw/zinc/42/61/59/478426159.db2.gz PPBIVSOVPRHRTN-UHFFFAOYSA-N 2 0 328.504 2.603 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600718685 478483566 /nfs/dbraw/zinc/48/35/66/478483566.db2.gz AEWQMQMQZJGBET-RTBURBONSA-N 2 0 327.472 2.543 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738536 478498346 /nfs/dbraw/zinc/49/83/46/478498346.db2.gz JKOMTMHOEGFAJH-PMACEKPBSA-N 2 0 341.499 2.933 10 30 EFEERP N#CC1(c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2)CC1 ZINC000594921155 478585843 /nfs/dbraw/zinc/58/58/43/478585843.db2.gz FWDMZWJGQWLVLX-GOSISDBHSA-N 2 0 339.483 2.832 10 30 EFEERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594922460 478587231 /nfs/dbraw/zinc/58/72/31/478587231.db2.gz ULWYBMHZSPGIHV-SFHVURJKSA-N 2 0 340.515 2.605 10 30 EFEERP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000594932017 478591626 /nfs/dbraw/zinc/59/16/26/478591626.db2.gz UJLSBPNOIPIEAR-WOJBJXKFSA-N 2 0 339.483 2.709 10 30 EFEERP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066862 478648727 /nfs/dbraw/zinc/64/87/27/478648727.db2.gz FXCHJHUOGIHWGG-IFMALSPDSA-N 2 0 347.462 2.902 10 30 EFEERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067644 478649676 /nfs/dbraw/zinc/64/96/76/478649676.db2.gz HQNSROQLRZARFQ-IERDGZPVSA-N 2 0 335.451 2.976 10 30 EFEERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069879 478649969 /nfs/dbraw/zinc/64/99/69/478649969.db2.gz LWKJMWLAYUOZDB-HRAATJIYSA-N 2 0 335.451 2.976 10 30 EFEERP CC[N@H+](CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1)CC1CC1 ZINC000528430691 478770161 /nfs/dbraw/zinc/77/01/61/478770161.db2.gz KTUZMGCUDLDVNE-IBGZPJMESA-N 2 0 333.520 2.875 10 30 EFEERP CC[N@H+](CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1)CC1CC1 ZINC000528430697 478771367 /nfs/dbraw/zinc/77/13/67/478771367.db2.gz KTUZMGCUDLDVNE-LJQANCHMSA-N 2 0 333.520 2.875 10 30 EFEERP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501263 478805144 /nfs/dbraw/zinc/80/51/44/478805144.db2.gz CYLWGQLIOKZZDN-CTNGQTDRSA-N 2 0 339.483 2.639 10 30 EFEERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(C#N)cc1 ZINC000596653506 479373377 /nfs/dbraw/zinc/37/33/77/479373377.db2.gz LFJHDWSHGWXSCA-LJQANCHMSA-N 2 0 342.487 2.590 10 30 EFEERP CCC1([NH+]2CCOCC2)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599663569 479378527 /nfs/dbraw/zinc/37/85/27/479378527.db2.gz IHVYXUFRKLJKKC-UHFFFAOYSA-N 2 0 327.472 2.944 10 30 EFEERP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651702817 481911948 /nfs/dbraw/zinc/91/19/48/481911948.db2.gz DLNPWGKRPHUEQM-RTBURBONSA-N 2 0 343.519 2.713 10 30 EFEERP C=CC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662680269 481929888 /nfs/dbraw/zinc/92/98/88/481929888.db2.gz UHCASWQNPTWUQY-NRFANRHFSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693793 481936841 /nfs/dbraw/zinc/93/68/41/481936841.db2.gz RAXJZNGGVDLBJY-TZIWHRDSSA-N 2 0 341.499 2.713 10 30 EFEERP C=CC[C@@]1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000662697527 481938225 /nfs/dbraw/zinc/93/82/25/481938225.db2.gz GCHOFUHEYPIFFN-IBGZPJMESA-N 2 0 347.528 2.775 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698217 481940502 /nfs/dbraw/zinc/94/05/02/481940502.db2.gz JTMWWJQIJVGHOD-QFBILLFUSA-N 2 0 347.528 2.775 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414886 521713621 /nfs/dbraw/zinc/71/36/21/521713621.db2.gz CTQQEMCLLJYAMW-MAUKXSAKSA-N 2 0 328.460 2.549 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)s2)(N2CCCCC2)CC1 ZINC000176977007 523765371 /nfs/dbraw/zinc/76/53/71/523765371.db2.gz YIQKBXJZCTWEGL-UHFFFAOYSA-N 2 0 332.517 2.660 10 30 EFEERP C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000678764190 548983209 /nfs/dbraw/zinc/98/32/09/548983209.db2.gz SAXIRWSZBXDMEY-MAUKXSAKSA-N 2 0 335.467 2.555 10 30 EFEERP C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000756542240 575758116 /nfs/dbraw/zinc/75/81/16/575758116.db2.gz GSWRJFZJDXBGQH-FQEVSTJZSA-N 2 0 340.467 2.927 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691409923 1248748182 /nfs/dbraw/zinc/74/81/82/1248748182.db2.gz JJVFBDGQKJZQAR-XLIONFOSSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691920238 1248825026 /nfs/dbraw/zinc/82/50/26/1248825026.db2.gz UMZLDMKPWOYMRH-NEWSRXKRSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001691445918 1249136495 /nfs/dbraw/zinc/13/64/95/1249136495.db2.gz NDTQFAHANTZPEZ-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001481508246 1249670660 /nfs/dbraw/zinc/67/06/60/1249670660.db2.gz HQBJDFMJBGQAQW-IBGZPJMESA-N 2 0 329.488 2.617 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001691767091 1247783307 /nfs/dbraw/zinc/78/33/07/1247783307.db2.gz JZXZMUYNRXIZRX-HOTGVXAUSA-N 2 0 329.916 2.828 10 30 EFEERP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001772541993 1248274607 /nfs/dbraw/zinc/27/46/07/1248274607.db2.gz KEKQOBZZIXDXBE-HDICACEKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691057962 1248319644 /nfs/dbraw/zinc/31/96/44/1248319644.db2.gz FPPHMUZYIFGIMH-VQIMIIECSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691162061 1248494526 /nfs/dbraw/zinc/49/45/26/1248494526.db2.gz TYXRXAKZJNSRKT-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484352749 1252442494 /nfs/dbraw/zinc/44/24/94/1252442494.db2.gz AJTHDKKEIFIDLK-APWZRJJASA-N 2 0 333.520 2.511 10 30 EFEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001484359010 1252444477 /nfs/dbraw/zinc/44/44/77/1252444477.db2.gz QUEWKXOSDCKALY-DLBZAZTESA-N 2 0 345.487 2.585 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001484396482 1252519155 /nfs/dbraw/zinc/51/91/55/1252519155.db2.gz DDVPIKDOUXKLFJ-WTGUMLROSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001484414996 1252556116 /nfs/dbraw/zinc/55/61/16/1252556116.db2.gz JSXNPHAVPUGIFZ-INDMIFKZSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001691649000 1256165224 /nfs/dbraw/zinc/16/52/24/1256165224.db2.gz FWRABTADPJWSKI-IBGZPJMESA-N 2 0 338.455 2.985 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670922563 1258673659 /nfs/dbraw/zinc/67/36/59/1258673659.db2.gz DGTNADZIEUSJSR-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001670932522 1258748626 /nfs/dbraw/zinc/74/86/26/1258748626.db2.gz BYOIXTAGYJBKGC-XVLXNVKGSA-N 2 0 333.520 2.939 10 30 EFEERP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001670960816 1259073806 /nfs/dbraw/zinc/07/38/06/1259073806.db2.gz NMYRLYCGJAAULT-MOPGFXCFSA-N 2 0 345.531 2.587 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001670988983 1259345586 /nfs/dbraw/zinc/34/55/86/1259345586.db2.gz CYNGBUODCAKCLG-UHFFFAOYSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001671038549 1259821091 /nfs/dbraw/zinc/82/10/91/1259821091.db2.gz DTIHHROTLQPARH-HKUYNNGSSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001272817534 1260401666 /nfs/dbraw/zinc/40/16/66/1260401666.db2.gz OVEUYQFSHYZRGF-ZWKOTPCHSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923501893 1261799600 /nfs/dbraw/zinc/79/96/00/1261799600.db2.gz WPGXLJPPGYYGTE-JYJNAYRXSA-N 2 0 335.517 2.568 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001486222668 1262827622 /nfs/dbraw/zinc/82/76/22/1262827622.db2.gz ZETJZGDYPAMQRI-CFPAGDMOSA-N 2 0 345.531 2.562 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001486248095 1262852295 /nfs/dbraw/zinc/85/22/95/1262852295.db2.gz SHZYLCFKPJKJRB-SFHVURJKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001486248974 1262853852 /nfs/dbraw/zinc/85/38/52/1262853852.db2.gz BYKHZTSSHYBXOX-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C[NH+](C)CCCC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486409850 1263029044 /nfs/dbraw/zinc/02/90/44/1263029044.db2.gz HAHGWLQTQZOCJV-LJQANCHMSA-N 2 0 343.515 2.500 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486420874 1263068676 /nfs/dbraw/zinc/06/86/76/1263068676.db2.gz ZUKCCMMEIPIJGQ-LJQANCHMSA-N 2 0 343.515 2.500 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001486422544 1263072588 /nfs/dbraw/zinc/07/25/88/1263072588.db2.gz BFZWZJDNAPCRLJ-LSDHHAIUSA-N 2 0 329.916 2.734 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001486465737 1263179438 /nfs/dbraw/zinc/17/94/38/1263179438.db2.gz LFBGGSPKWZMJRB-WWDZGPRUSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001273205286 1263207379 /nfs/dbraw/zinc/20/73/79/1263207379.db2.gz YEUWMXDYNGFCKJ-CVEARBPZSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001273205289 1263208025 /nfs/dbraw/zinc/20/80/25/1263208025.db2.gz YEUWMXDYNGFCKJ-JKSUJKDBSA-N 2 0 329.916 2.734 10 30 EFEERP C=CCCCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001486509215 1263281520 /nfs/dbraw/zinc/28/15/20/1263281520.db2.gz NTMONEMXGIYVMR-IBGZPJMESA-N 2 0 333.520 2.965 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC2CC[NH+](C)CC2)c(F)c1 ZINC001486525648 1263331503 /nfs/dbraw/zinc/33/15/03/1263331503.db2.gz SFAQARMVFUEFKS-UHFFFAOYSA-N 2 0 347.478 2.840 10 30 EFEERP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)ccc1F ZINC000819073578 1276620179 /nfs/dbraw/zinc/62/01/79/1276620179.db2.gz NZZATGYECHKSHY-IBGZPJMESA-N 2 0 327.403 2.582 10 30 EFEERP C=C(Cl)CN1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015585 1277217109 /nfs/dbraw/zinc/21/71/09/1277217109.db2.gz DZDNANCNPYXYIS-GJZGRUSLSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)CN1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015615 1277223202 /nfs/dbraw/zinc/22/32/02/1277223202.db2.gz DZDNANCNPYXYIS-LSDHHAIUSA-N 2 0 329.916 2.686 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001144203870 1279259824 /nfs/dbraw/zinc/25/98/24/1279259824.db2.gz FNUQYPYKISOUAU-RTBURBONSA-N 2 0 335.536 2.922 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085318 1281424112 /nfs/dbraw/zinc/42/41/12/1281424112.db2.gz OFQQMARERNFCIM-TZIWHRDSSA-N 2 0 347.547 2.997 10 30 EFEERP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903460672 1312715375 /nfs/dbraw/zinc/71/53/75/1312715375.db2.gz HMTMAORTQPWLEO-CGTJXYLNSA-N 2 0 333.863 2.930 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738556 1290997631 /nfs/dbraw/zinc/99/76/31/1290997631.db2.gz GSAABRDMORVAKF-ZFWWWQNUSA-N 2 0 341.908 2.546 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000876768533 1291012767 /nfs/dbraw/zinc/01/27/67/1291012767.db2.gz XBGSGMOZKQHTHV-CPUCHLNUSA-N 2 0 349.906 2.729 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000876768989 1291014886 /nfs/dbraw/zinc/01/48/86/1291014886.db2.gz ORQYONROPLHJFL-HNNXBMFYSA-N 2 0 334.851 2.611 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000876941328 1291080695 /nfs/dbraw/zinc/08/06/95/1291080695.db2.gz KHAWZURYLJXUSG-NVXWUHKLSA-N 2 0 341.927 2.959 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000876941327 1291080789 /nfs/dbraw/zinc/08/07/89/1291080789.db2.gz KHAWZURYLJXUSG-DOTOQJQBSA-N 2 0 341.927 2.959 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877443540 1291236814 /nfs/dbraw/zinc/23/68/14/1291236814.db2.gz FUUATQBDRRYEQQ-IMJJTQAJSA-N 2 0 327.900 2.603 10 30 EFEERP CC[NH+]=C(NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)NC1CC1 ZINC000095408856 1292128903 /nfs/dbraw/zinc/12/89/03/1292128903.db2.gz XZFCOFGUFDRTEX-MRXNPFEDSA-N 2 0 344.503 2.604 10 30 EFEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273610037 1292357328 /nfs/dbraw/zinc/35/73/28/1292357328.db2.gz HZDGWBOREKQTMU-GOSISDBHSA-N 2 0 327.488 2.603 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001691733115 1295335150 /nfs/dbraw/zinc/33/51/50/1295335150.db2.gz STCWFHSKSVWDJB-UHFFFAOYSA-N 2 0 335.517 2.663 10 30 EFEERP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273826581 1296168972 /nfs/dbraw/zinc/16/89/72/1296168972.db2.gz ZRHDXFXDMUDAFK-WOJBJXKFSA-N 2 0 343.515 2.692 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001274955984 1296219709 /nfs/dbraw/zinc/21/97/09/1296219709.db2.gz UVJUIZIBPINMHC-GOSISDBHSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001273833693 1296245806 /nfs/dbraw/zinc/24/58/06/1296245806.db2.gz QFNPRNGWJACPOC-PZJWPPBQSA-N 2 0 345.531 2.609 10 30 EFEERP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(C#N)c1[O-] ZINC000925555182 1296852641 /nfs/dbraw/zinc/85/26/41/1296852641.db2.gz FODCXIASLYQEMH-FHWLQOOXSA-N 2 0 343.471 2.682 10 30 EFEERP CC1(C)[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724802 1296873032 /nfs/dbraw/zinc/87/30/32/1296873032.db2.gz DGEPAMOOVAGCPC-YZGWKJHDSA-N 2 0 338.499 2.893 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001488670120 1297625157 /nfs/dbraw/zinc/62/51/57/1297625157.db2.gz JPMSXXNJQNYPEG-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001489230799 1298143162 /nfs/dbraw/zinc/14/31/62/1298143162.db2.gz FWPAOPPVHUULDN-JKSUJKDBSA-N 2 0 347.906 2.780 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001490443389 1298871127 /nfs/dbraw/zinc/87/11/27/1298871127.db2.gz QWOQOCYMMKXDSP-IBGZPJMESA-N 2 0 343.515 2.951 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001490596657 1299018152 /nfs/dbraw/zinc/01/81/52/1299018152.db2.gz ANELZNQXPOOOJY-QZTJIDSGSA-N 2 0 345.531 2.940 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490776285 1299238155 /nfs/dbraw/zinc/23/81/55/1299238155.db2.gz HJDVASOCXWYHOF-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777451 1299244318 /nfs/dbraw/zinc/24/43/18/1299244318.db2.gz PVGYCIHNBFBHRP-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001490792013 1299261306 /nfs/dbraw/zinc/26/13/06/1299261306.db2.gz OWQMBUXDGNYNBA-KDURUIRLSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCCCCC)CC1 ZINC001278177486 1313746243 /nfs/dbraw/zinc/74/62/43/1313746243.db2.gz RNSVTGGOHDVCBG-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001278177348 1313746391 /nfs/dbraw/zinc/74/63/91/1313746391.db2.gz OQNFLYDEGPWWNW-OALUTQOASA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCC)CC1 ZINC001278200839 1313782154 /nfs/dbraw/zinc/78/21/54/1313782154.db2.gz UWEHYFJKQHCKHA-UHFFFAOYSA-N 2 0 341.499 2.698 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001278240447 1313830804 /nfs/dbraw/zinc/83/08/04/1313830804.db2.gz BUTZOYNHEVYOOH-VQTJNVASSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCCn1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)nn1 ZINC000865775114 1303394934 /nfs/dbraw/zinc/39/49/34/1303394934.db2.gz QZAJHMFELRYAPU-UHFFFAOYSA-N 2 0 339.487 2.607 10 30 EFEERP C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000866444741 1303644365 /nfs/dbraw/zinc/64/43/65/1303644365.db2.gz CLBJJTBXVVIDMR-INIZCTEOSA-N 2 0 326.488 2.847 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000900415473 1308143896 /nfs/dbraw/zinc/14/38/96/1308143896.db2.gz TVPZEBGDFDFWNE-UHFFFAOYSA-N 2 0 337.895 2.738 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000900439532 1308163940 /nfs/dbraw/zinc/16/39/40/1308163940.db2.gz NAHRZRQOULSRCD-INIZCTEOSA-N 2 0 335.517 2.584 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000901064299 1309336270 /nfs/dbraw/zinc/33/62/70/1309336270.db2.gz OUZRSRZGOBQHJP-ROUUACIJSA-N 2 0 343.515 2.767 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000901086917 1309414620 /nfs/dbraw/zinc/41/46/20/1309414620.db2.gz CZPOIRLXOJHOPW-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001276690437 1314395400 /nfs/dbraw/zinc/39/54/00/1314395400.db2.gz OBSGNRVBUOVACD-LDLYASANSA-N 2 0 345.531 2.655 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001276840595 1311187407 /nfs/dbraw/zinc/18/74/07/1311187407.db2.gz QMVWIBJUZQKOEX-BZSNNMDCSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ncc[nH]3)C[C@@]2(C)C1 ZINC001276905807 1311283641 /nfs/dbraw/zinc/28/36/41/1311283641.db2.gz HMBWDQJNFAUBSR-BGYRXZFFSA-N 2 0 344.503 2.869 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001277068227 1311570826 /nfs/dbraw/zinc/57/08/26/1311570826.db2.gz AZFGUJFYEALHGD-WDSOQIARSA-N 2 0 329.488 2.740 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001284737506 1320501687 /nfs/dbraw/zinc/50/16/87/1320501687.db2.gz MLONINNLMSGEJT-CABCVRRESA-N 2 0 349.441 2.663 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001277350961 1312040715 /nfs/dbraw/zinc/04/07/15/1312040715.db2.gz BSCFXIXXZRNXIJ-KSZLIROESA-N 2 0 333.520 2.748 10 30 EFEERP C=CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@]1(C)CCCCO1 ZINC000902833242 1312142047 /nfs/dbraw/zinc/14/20/47/1312142047.db2.gz YNIYEMZXOZQQJW-VQTJNVASSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277441086 1312175375 /nfs/dbraw/zinc/17/53/75/1312175375.db2.gz KAHWBQYRLUOZJJ-HKUYNNGSSA-N 2 0 335.536 2.996 10 30 EFEERP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(C#N)ccn1 ZINC000903049770 1312310726 /nfs/dbraw/zinc/31/07/26/1312310726.db2.gz GMIZBWZIURQZDT-INIZCTEOSA-N 2 0 335.455 2.911 10 30 EFEERP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(C#N)ccn1 ZINC000903086956 1312340722 /nfs/dbraw/zinc/34/07/22/1312340722.db2.gz CRFCRCJKQQHEAO-MRXNPFEDSA-N 2 0 335.455 2.556 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473882 1312400365 /nfs/dbraw/zinc/40/03/65/1312400365.db2.gz LNMGAZIUPAKTHW-UYAOXDASSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001277515995 1312505456 /nfs/dbraw/zinc/50/54/56/1312505456.db2.gz DWLMGWCKGJTFST-XLIONFOSSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001277547055 1312542599 /nfs/dbraw/zinc/54/25/99/1312542599.db2.gz CTNMVBHTPXVNTC-YSIASYRMSA-N 2 0 341.499 2.577 10 30 EFEERP C=CC[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001277587268 1312588876 /nfs/dbraw/zinc/58/88/76/1312588876.db2.gz NFPFORJPARJTPP-CRAIPNDOSA-N 2 0 327.488 2.505 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001276737544 1314931028 /nfs/dbraw/zinc/93/10/28/1314931028.db2.gz ALRJHHZHJWWFTB-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001276761499 1315116446 /nfs/dbraw/zinc/11/64/46/1315116446.db2.gz MDRUYQLELFAKMJ-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001278603323 1315263324 /nfs/dbraw/zinc/26/33/24/1315263324.db2.gz YRUPNGAJHMUYMF-MJGOQNOKSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC001278677813 1315491629 /nfs/dbraw/zinc/49/16/29/1315491629.db2.gz SKLIWDFNRPZHPA-LJQANCHMSA-N 2 0 347.547 2.901 10 30 EFEERP C=CC[NH+]1CCC(CCCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001281055371 1316193618 /nfs/dbraw/zinc/19/36/18/1316193618.db2.gz FKEDWZMRDRUGTH-FQEVSTJZSA-N 2 0 347.547 2.903 10 30 EFEERP CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001318576904 1328642855 /nfs/dbraw/zinc/64/28/55/1328642855.db2.gz PNIZTGMAGFDRQT-IBGZPJMESA-N 2 0 343.515 2.500 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@@H](C)CC(C)C)CC1 ZINC001263821007 1316566643 /nfs/dbraw/zinc/56/66/43/1316566643.db2.gz KXZKCFIQOYKKFR-AZUAARDMSA-N 2 0 347.547 2.547 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001263902907 1316572994 /nfs/dbraw/zinc/57/29/94/1316572994.db2.gz AUCRBPXKPGLWGA-GOEBONIOSA-N 2 0 335.517 2.874 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264017928 1316581045 /nfs/dbraw/zinc/58/10/45/1316581045.db2.gz QWXMMXAMGCRZNY-NCXUSEDFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001264038877 1316581900 /nfs/dbraw/zinc/58/19/00/1316581900.db2.gz NZFLTQDPDPEHLP-WOJBJXKFSA-N 2 0 343.515 2.879 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264096214 1316588850 /nfs/dbraw/zinc/58/88/50/1316588850.db2.gz HTSDLTWIDJEPKC-CEXWTWQISA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001264097828 1316589130 /nfs/dbraw/zinc/58/91/30/1316589130.db2.gz YMVHSAPKIZPCPO-HSALFYBXSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001264099448 1316589322 /nfs/dbraw/zinc/58/93/22/1316589322.db2.gz BMAPOFAHORSMQM-OTWHNJEPSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196713 1316600541 /nfs/dbraw/zinc/60/05/41/1316600541.db2.gz JSBUBDKGNFJLHH-IBGZPJMESA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264586496 1316636089 /nfs/dbraw/zinc/63/60/89/1316636089.db2.gz QHSRPEVKMJXHOB-QRQLOZEOSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001281086492 1316671946 /nfs/dbraw/zinc/67/19/46/1316671946.db2.gz DKTQLFOHIFUIIU-AZUAARDMSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281087938 1316681028 /nfs/dbraw/zinc/68/10/28/1316681028.db2.gz OQKQDDLQHRWJJY-HKUYNNGSSA-N 2 0 339.499 2.557 10 30 EFEERP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001281087947 1316681032 /nfs/dbraw/zinc/68/10/32/1316681032.db2.gz OUHACIAZCAZPDC-OAQYLSRUSA-N 2 0 345.531 2.589 10 30 EFEERP C=CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001265161188 1316743705 /nfs/dbraw/zinc/74/37/05/1316743705.db2.gz FGFPXUCNUFYNNR-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001265199209 1316750169 /nfs/dbraw/zinc/75/01/69/1316750169.db2.gz QVTXCJPTGGCITH-RTBURBONSA-N 2 0 333.520 2.892 10 30 EFEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001265340832 1316785824 /nfs/dbraw/zinc/78/58/24/1316785824.db2.gz DATUOTYXGCHXLH-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265390264 1316795258 /nfs/dbraw/zinc/79/52/58/1316795258.db2.gz ASZQRVYPBUVTSJ-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001265523846 1316820045 /nfs/dbraw/zinc/82/00/45/1316820045.db2.gz QGVCAGPUBZWHGU-VQTJNVASSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001265544621 1316823510 /nfs/dbraw/zinc/82/35/10/1316823510.db2.gz NHNCGBAEDXTCNJ-FCGDIQPGSA-N 2 0 333.520 2.987 10 30 EFEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266063287 1316990371 /nfs/dbraw/zinc/99/03/71/1316990371.db2.gz HMFRJKFJEBVLSM-MSOLQXFVSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001266086602 1317013477 /nfs/dbraw/zinc/01/34/77/1317013477.db2.gz UMQPQRZRYJDSAG-GOSISDBHSA-N 2 0 343.515 2.885 10 30 EFEERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001266182243 1317128906 /nfs/dbraw/zinc/12/89/06/1317128906.db2.gz DINFPOAIPYJPJL-MAUKXSAKSA-N 2 0 349.906 2.516 10 30 EFEERP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001266195254 1317137610 /nfs/dbraw/zinc/13/76/10/1317137610.db2.gz QGYNPFWKJWFVAR-HXUWFJFHSA-N 2 0 341.499 2.626 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266219944 1317160166 /nfs/dbraw/zinc/16/01/66/1317160166.db2.gz LHMNUNCUMYPDHZ-QUCCMNQESA-N 2 0 345.531 2.778 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266238897 1317188048 /nfs/dbraw/zinc/18/80/48/1317188048.db2.gz YVIWYHVTULYEIY-KRWDZBQOSA-N 2 0 341.927 2.832 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266240598 1317189192 /nfs/dbraw/zinc/18/91/92/1317189192.db2.gz YJNKTCUFVDOAJJ-FQEVSTJZSA-N 2 0 343.515 2.951 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001279237055 1317217242 /nfs/dbraw/zinc/21/72/42/1317217242.db2.gz OWALYYKJNYWODO-AKHDSKFASA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001279282172 1317225941 /nfs/dbraw/zinc/22/59/41/1317225941.db2.gz VMTJHLQZQAYHKN-FHWLQOOXSA-N 2 0 335.536 2.807 10 30 EFEERP C=CCCC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001279301600 1317230364 /nfs/dbraw/zinc/23/03/64/1317230364.db2.gz OAJCZPYEHOLOPN-UHFFFAOYSA-N 2 0 329.488 2.907 10 30 EFEERP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001279368408 1317246870 /nfs/dbraw/zinc/24/68/70/1317246870.db2.gz RPZYMJPOZWBDCS-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C[NH2+]CCCC)CCCC[C@H]2C)CC1 ZINC001318760729 1328691171 /nfs/dbraw/zinc/69/11/71/1328691171.db2.gz TVNBSKNLNILDLZ-NQIIRXRSSA-N 2 0 347.547 2.786 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)c(F)c1 ZINC001279710335 1317368069 /nfs/dbraw/zinc/36/80/69/1317368069.db2.gz QCZHITPDYUFEBN-UHFFFAOYSA-N 2 0 345.462 2.594 10 30 EFEERP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001280770562 1317767769 /nfs/dbraw/zinc/76/77/69/1317767769.db2.gz SKDNFUZHFAKRRO-WOJBJXKFSA-N 2 0 341.499 2.673 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CCC(=C)C)C2)CC1 ZINC001318853956 1328723510 /nfs/dbraw/zinc/72/35/10/1328723510.db2.gz GIAMFPBEZVXNSE-LJQANCHMSA-N 2 0 345.531 2.516 10 30 EFEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001281016201 1317969430 /nfs/dbraw/zinc/96/94/30/1317969430.db2.gz JYJIRPNUVQNXDT-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001281015625 1317969557 /nfs/dbraw/zinc/96/95/57/1317969557.db2.gz GXLRDCQTVDGMED-INIZCTEOSA-N 2 0 327.488 2.603 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001281030884 1317981095 /nfs/dbraw/zinc/98/10/95/1317981095.db2.gz DIDVJUNDTPCEDG-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001318904497 1328736945 /nfs/dbraw/zinc/73/69/45/1328736945.db2.gz JCUXDXUMROEWIT-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001281063383 1318003622 /nfs/dbraw/zinc/00/36/22/1318003622.db2.gz OYSVOWIFVVCUEG-FQEVSTJZSA-N 2 0 341.499 2.590 10 30 EFEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001318907142 1328737973 /nfs/dbraw/zinc/73/79/73/1328737973.db2.gz MUHAFXNAQYGEHZ-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001318999733 1328760803 /nfs/dbraw/zinc/76/08/03/1328760803.db2.gz ADJMTJHBHUPBRO-UHFFFAOYSA-N 2 0 329.488 2.700 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001319008344 1328762850 /nfs/dbraw/zinc/76/28/50/1328762850.db2.gz BQXIXURNLAJNEE-UHFFFAOYSA-N 2 0 341.499 2.682 10 30 EFEERP C=C(C)C[NH2+]CC1(c2ccccc2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281586675 1318491386 /nfs/dbraw/zinc/49/13/86/1318491386.db2.gz LLGVILZJROQAPU-UHFFFAOYSA-N 2 0 343.515 2.664 10 30 EFEERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001281747909 1318567796 /nfs/dbraw/zinc/56/77/96/1318567796.db2.gz DIOKTFAUMCZSNA-YJBOKZPZSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281775882 1318577637 /nfs/dbraw/zinc/57/76/37/1318577637.db2.gz FTUVDJOGAGQREE-XLIONFOSSA-N 2 0 341.499 2.620 10 30 EFEERP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001281979636 1318646621 /nfs/dbraw/zinc/64/66/21/1318646621.db2.gz BRLGLXJIXVXNPJ-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001281979633 1318646972 /nfs/dbraw/zinc/64/69/72/1318646972.db2.gz BRLGLXJIXVXNPJ-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001282742093 1319103751 /nfs/dbraw/zinc/10/37/51/1319103751.db2.gz XGMRZMIBVSQEMF-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001282812689 1319140664 /nfs/dbraw/zinc/14/06/64/1319140664.db2.gz PMTBWXFDMWIFRA-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001282959058 1319216854 /nfs/dbraw/zinc/21/68/54/1319216854.db2.gz SNRQNYCYMCCIDT-OTWHNJEPSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001282974112 1319232051 /nfs/dbraw/zinc/23/20/51/1319232051.db2.gz YLYUOQMDBGNKPZ-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282993161 1319244045 /nfs/dbraw/zinc/24/40/45/1319244045.db2.gz VFARCYIDMPTAOJ-JYRKZWEQSA-N 2 0 347.547 2.853 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001283912803 1320089119 /nfs/dbraw/zinc/08/91/19/1320089119.db2.gz FABATMGMMXVDBM-YLJYHZDGSA-N 2 0 343.515 2.950 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCCCCC)C[C@H]2C)CC1 ZINC001284034516 1320158614 /nfs/dbraw/zinc/15/86/14/1320158614.db2.gz RHXDEFHJLRWPBS-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)CC2 ZINC001319407431 1328875606 /nfs/dbraw/zinc/87/56/06/1328875606.db2.gz JUWOOALGWTUKFV-LJQANCHMSA-N 2 0 341.499 2.790 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)Cc1cnc[nH]1)CC2 ZINC001319407689 1328876592 /nfs/dbraw/zinc/87/65/92/1328876592.db2.gz LKMXHFBPHDQDCX-UHFFFAOYSA-N 2 0 330.476 2.623 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C\CC)[C@H]2C)CC1 ZINC001284155750 1320241737 /nfs/dbraw/zinc/24/17/37/1320241737.db2.gz WGFLKZQIHHVOLQ-DDRDIHNTSA-N 2 0 345.531 2.657 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C\CC)[C@@H]2C)CC1 ZINC001284155747 1320241794 /nfs/dbraw/zinc/24/17/94/1320241794.db2.gz WGFLKZQIHHVOLQ-CWHLKURSSA-N 2 0 345.531 2.657 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284224726 1320275945 /nfs/dbraw/zinc/27/59/45/1320275945.db2.gz JNGBJNKZHHVMKG-MJGOQNOKSA-N 2 0 329.488 2.812 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001284291722 1320306523 /nfs/dbraw/zinc/30/65/23/1320306523.db2.gz KXLQFYSCFUZEOB-ZWKOTPCHSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC001284292110 1320306618 /nfs/dbraw/zinc/30/66/18/1320306618.db2.gz DLEJNVRQMPLYJA-QGZVFWFLSA-N 2 0 326.444 2.659 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284620063 1320443374 /nfs/dbraw/zinc/44/33/74/1320443374.db2.gz WZRNDGFGPGNLMJ-MSOLQXFVSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284620064 1320443507 /nfs/dbraw/zinc/44/35/07/1320443507.db2.gz WZRNDGFGPGNLMJ-QZTJIDSGSA-N 2 0 333.520 2.537 10 30 EFEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001284699621 1320481381 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IMLNEIYVFYUWHR-VQTJNVASSA-N 2 0 343.515 2.877 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001319831536 1329006926 /nfs/dbraw/zinc/00/69/26/1329006926.db2.gz KNCMCAWMZADMQQ-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001319881974 1329027370 /nfs/dbraw/zinc/02/73/70/1329027370.db2.gz YAQVQCWNJREOOK-OALUTQOASA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001319881976 1329027766 /nfs/dbraw/zinc/02/77/66/1329027766.db2.gz YAQVQCWNJREOOK-RTBURBONSA-N 2 0 333.520 2.750 10 30 EFEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001319888912 1329028824 /nfs/dbraw/zinc/02/88/24/1329028824.db2.gz RSAALEGABDUMCX-HXUWFJFHSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001319888908 1329029135 /nfs/dbraw/zinc/02/91/35/1329029135.db2.gz RSAALEGABDUMCX-FQEVSTJZSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001316662022 1323200708 /nfs/dbraw/zinc/20/07/08/1323200708.db2.gz WHXVFBNENOGHAO-PKOBYXMFSA-N 2 0 329.488 2.812 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001320110996 1329083033 /nfs/dbraw/zinc/08/30/33/1329083033.db2.gz KJXRSWIULSDHIC-OALUTQOASA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001320184577 1329102129 /nfs/dbraw/zinc/10/21/29/1329102129.db2.gz PVYQKLFLXYXOLD-OALUTQOASA-N 2 0 329.488 2.812 10 30 EFEERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC#Cc1ccccc1 ZINC001491612741 1323747569 /nfs/dbraw/zinc/74/75/69/1323747569.db2.gz YTKURIWLWABSSF-GOSISDBHSA-N 2 0 349.478 2.508 10 30 EFEERP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001316669900 1324069261 /nfs/dbraw/zinc/06/92/61/1324069261.db2.gz MERNJZJTIPPPTI-QGZVFWFLSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001320549455 1329160574 /nfs/dbraw/zinc/16/05/74/1329160574.db2.gz RXJUSVWFYUNMEW-QAPCUYQASA-N 2 0 327.488 2.650 10 30 EFEERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001320609524 1329176871 /nfs/dbraw/zinc/17/68/71/1329176871.db2.gz UKVJZSOPCTXJTB-CRAIPNDOSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC(C)C)CC1 ZINC001316710025 1325088852 /nfs/dbraw/zinc/08/88/52/1325088852.db2.gz ZIMPFUCDLRFPJG-QUCCMNQESA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001316918270 1325347407 /nfs/dbraw/zinc/34/74/07/1325347407.db2.gz RYZJTUHSULFZBN-RTBURBONSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC/C=C/CC)CC2)CC1 ZINC001316937428 1325388528 /nfs/dbraw/zinc/38/85/28/1325388528.db2.gz NSUSPAJNHZNPPB-VOTSOKGWSA-N 2 0 345.531 2.611 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317037511 1325503638 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JBDTVWLMLXJABK-LJQANCHMSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317321037 1327850708 /nfs/dbraw/zinc/85/07/08/1327850708.db2.gz CDVSKFWNTVKQNM-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317340813 1327870358 /nfs/dbraw/zinc/87/03/58/1327870358.db2.gz WSIUGXIKNHZWBE-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317375913 1327921038 /nfs/dbraw/zinc/92/10/38/1327921038.db2.gz MMPGMYROBCWEJS-ZWKOTPCHSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001321543734 1329394208 /nfs/dbraw/zinc/39/42/08/1329394208.db2.gz YWCNKIWQKQLOQW-MJGOQNOKSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317531685 1328117916 /nfs/dbraw/zinc/11/79/16/1328117916.db2.gz BXSMOVNAMFGYRY-IEBWSBKVSA-N 2 0 329.488 2.694 10 30 EFEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317769383 1328365558 /nfs/dbraw/zinc/36/55/58/1328365558.db2.gz CHTSXGPANSRMCY-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001317884731 1328437962 /nfs/dbraw/zinc/43/79/62/1328437962.db2.gz XRNDLCAOMRPRLP-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001322344972 1329450153 /nfs/dbraw/zinc/45/01/53/1329450153.db2.gz ITDWDPQNCHWCPE-MSOLQXFVSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001323692934 1329562132 /nfs/dbraw/zinc/56/21/32/1329562132.db2.gz IFWQRKNEHAMEBB-MSOLQXFVSA-N 2 0 331.504 2.646 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001323734144 1329566166 /nfs/dbraw/zinc/56/61/66/1329566166.db2.gz XAUVEKOXTCIAIK-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001323736192 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XIGWQSCSWAOSJE-IBGZPJMESA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001324976555 1329664853 /nfs/dbraw/zinc/66/48/53/1329664853.db2.gz MRAJQYBMCDEJJS-OAQYLSRUSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001325415423 1329686624 /nfs/dbraw/zinc/68/66/24/1329686624.db2.gz IAMJYXNFMJPNDZ-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001325579840 1329698487 /nfs/dbraw/zinc/69/84/87/1329698487.db2.gz BUDSRSYLXOJLCC-FXAWDEMLSA-N 2 0 347.547 2.759 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001325597769 1329699657 /nfs/dbraw/zinc/69/96/57/1329699657.db2.gz GCYDJHYPSDBFKL-IRXDYDNUSA-N 2 0 347.503 2.995 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001325597771 1329699802 /nfs/dbraw/zinc/69/98/02/1329699802.db2.gz GCYDJHYPSDBFKL-SJORKVTESA-N 2 0 347.503 2.995 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001325599571 1329700300 /nfs/dbraw/zinc/70/03/00/1329700300.db2.gz UHLVASNLNJSCSO-MOPGFXCFSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001325631210 1329702577 /nfs/dbraw/zinc/70/25/77/1329702577.db2.gz BBMFAKRPZUTIIR-BCDXTJNWSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC001325642480 1329703521 /nfs/dbraw/zinc/70/35/21/1329703521.db2.gz GOHARMPKCGJMCH-FKSLSLAPSA-N 2 0 333.520 2.795 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001325656878 1329704480 /nfs/dbraw/zinc/70/44/80/1329704480.db2.gz YMBWYTAFPLYMDH-WGSAOQKQSA-N 2 0 347.547 2.951 10 30 EFEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001325708588 1329707944 /nfs/dbraw/zinc/70/79/44/1329707944.db2.gz RDFNOXXPYKUYDN-KDURUIRLSA-N 2 0 341.499 2.501 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001325916389 1329723818 /nfs/dbraw/zinc/72/38/18/1329723818.db2.gz IMAPASZTIYQTDJ-RTBURBONSA-N 2 0 333.520 2.894 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001325946244 1329727073 /nfs/dbraw/zinc/72/70/73/1329727073.db2.gz NIPDICFWHGVPRC-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001325946119 1329727169 /nfs/dbraw/zinc/72/71/69/1329727169.db2.gz LYCIBIYIURYORL-OKZBNKHCSA-N 2 0 333.520 2.606 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001326411910 1329754421 /nfs/dbraw/zinc/75/44/21/1329754421.db2.gz OQEKKKJCYNHZAA-PKOBYXMFSA-N 2 0 329.488 2.694 10 30 EFEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001326450100 1329757698 /nfs/dbraw/zinc/75/76/98/1329757698.db2.gz VZVKRVDKNLJPKM-HXUWFJFHSA-N 2 0 341.499 2.631 10 30 EFEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001326482509 1329759919 /nfs/dbraw/zinc/75/99/19/1329759919.db2.gz XJYSZCZMVWQUDU-DLBZAZTESA-N 2 0 329.488 2.871 10 30 EFEERP CC[C@@H](C(=O)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(C)C)[NH+](C)C ZINC001382506833 1348973805 /nfs/dbraw/zinc/97/38/05/1348973805.db2.gz PJLJYPSNVPEDKY-IBGZPJMESA-N 2 0 344.503 2.567 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001326531563 1330312083 /nfs/dbraw/zinc/31/20/83/1330312083.db2.gz UNTOBUMTNCLZGV-WGSAOQKQSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001326598476 1330324938 /nfs/dbraw/zinc/32/49/38/1330324938.db2.gz JORVCUHYIFACPS-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327498557 1330488428 /nfs/dbraw/zinc/48/84/28/1330488428.db2.gz BPFFVECHMDOXLS-FQEVSTJZSA-N 2 0 347.547 2.881 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001327505482 1330489740 /nfs/dbraw/zinc/48/97/40/1330489740.db2.gz CSYLRBAJPJUBMU-HXUWFJFHSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530843 1330496157 /nfs/dbraw/zinc/49/61/57/1330496157.db2.gz QADTXQDJASJXEN-GHTZIAJQSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001327539663 1330496691 /nfs/dbraw/zinc/49/66/91/1330496691.db2.gz BXKJVDZCHXZRCU-UYAOXDASSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001327868660 1330524739 /nfs/dbraw/zinc/52/47/39/1330524739.db2.gz PWKUWHIMEKSJRA-ZBFHGGJFSA-N 2 0 335.517 2.826 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001327994820 1330539334 /nfs/dbraw/zinc/53/93/34/1330539334.db2.gz CKGLWGIFAICDRQ-SFHVURJKSA-N 2 0 333.520 2.940 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001328589120 1330606087 /nfs/dbraw/zinc/60/60/87/1330606087.db2.gz TWRPWTXFSBQQPY-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP 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BNJDAMVAZHKERZ-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877682 1338152891 /nfs/dbraw/zinc/15/28/91/1338152891.db2.gz YYMZCTVCLQPKGR-SJORKVTESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001366877783 1338154197 /nfs/dbraw/zinc/15/41/97/1338154197.db2.gz GYYYAEUNDPATLO-DLBZAZTESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001368127040 1339205824 /nfs/dbraw/zinc/20/58/24/1339205824.db2.gz VYEKASKFPQMZOO-HOTGVXAUSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001368489963 1339427091 /nfs/dbraw/zinc/42/70/91/1339427091.db2.gz NUGVLIITIHYCCL-KRWDZBQOSA-N 2 0 345.890 2.580 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001368646263 1339564088 /nfs/dbraw/zinc/56/40/88/1339564088.db2.gz ANFQDBVSULUHJN-UHFFFAOYSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001368880064 1339815699 /nfs/dbraw/zinc/81/56/99/1339815699.db2.gz RGOWFMYHYZKBFX-GJZGRUSLSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001373041953 1340883047 /nfs/dbraw/zinc/88/30/47/1340883047.db2.gz YOZCGZDVOBQCDU-NVXWUHKLSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001373914753 1341201284 /nfs/dbraw/zinc/20/12/84/1341201284.db2.gz IPGMAKJWZNSYSM-BZUAXINKSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001374437747 1341921087 /nfs/dbraw/zinc/92/10/87/1341921087.db2.gz DSGNZWXPAHGYFA-HZPDHXFCSA-N 2 0 329.916 2.732 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001376294049 1343463508 /nfs/dbraw/zinc/46/35/08/1343463508.db2.gz SYCIQGOZUACHCO-IXDOHACOSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C 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HOXSPLZNPYOFPB-QAETUUGQSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001381103248 1348077934 /nfs/dbraw/zinc/07/79/34/1348077934.db2.gz LQAAHRZWYHMDKL-UHFFFAOYSA-N 2 0 346.862 2.980 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C ZINC001382541768 1349008167 /nfs/dbraw/zinc/00/81/67/1349008167.db2.gz SDGBXOQWIDLDFZ-GOSISDBHSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001394205204 1357591619 /nfs/dbraw/zinc/59/16/19/1357591619.db2.gz PULKQLPWJRLPRE-INIZCTEOSA-N 2 0 341.927 2.880 10 30 EFEERP C=C(Cl)CN1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001389334935 1353311546 /nfs/dbraw/zinc/31/15/46/1353311546.db2.gz MDMODEUEOFTBOJ-OAHLLOKOSA-N 2 0 327.900 2.536 10 30 EFEERP C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001436495381 1387268329 /nfs/dbraw/zinc/26/83/29/1387268329.db2.gz LOKUFNRBYMTDBE-KRWDZBQOSA-N 2 0 341.927 2.928 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001392962545 1356469312 /nfs/dbraw/zinc/46/93/12/1356469312.db2.gz OLKAOHLPJFSXNV-IRXDYDNUSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001393074195 1356563108 /nfs/dbraw/zinc/56/31/08/1356563108.db2.gz UQNNBLLECSGDNL-IRXDYDNUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001437048698 1387388372 /nfs/dbraw/zinc/38/83/72/1387388372.db2.gz JEBNCHLDNLJIPD-IAGOWNOFSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001398757806 1360766524 /nfs/dbraw/zinc/76/65/24/1360766524.db2.gz DVLYVNJFWIRQJU-JKSUJKDBSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001401304793 1362650573 /nfs/dbraw/zinc/65/05/73/1362650573.db2.gz QYUDERWFYQWOIQ-NVXWUHKLSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001401304791 1362650605 /nfs/dbraw/zinc/65/06/05/1362650605.db2.gz QYUDERWFYQWOIQ-DOTOQJQBSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001402107972 1363414826 /nfs/dbraw/zinc/41/48/26/1363414826.db2.gz RDSOTUZBAHYHKW-DLBZAZTESA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001402709214 1363956290 /nfs/dbraw/zinc/95/62/90/1363956290.db2.gz ZGPLKLRYGYQMSS-UHFFFAOYSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001402788355 1364035462 /nfs/dbraw/zinc/03/54/62/1364035462.db2.gz XGHJPLQLNVULME-OAHLLOKOSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001403603648 1364808637 /nfs/dbraw/zinc/80/86/37/1364808637.db2.gz AGMBPPKKXORRFQ-DOTOQJQBSA-N 2 0 337.895 2.868 10 30 EFEERP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001404617082 1365718823 /nfs/dbraw/zinc/71/88/23/1365718823.db2.gz JQGONRYUGYXXFX-QGZVFWFLSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001408292704 1369785867 /nfs/dbraw/zinc/78/58/67/1369785867.db2.gz LECBLCBLGRMWOJ-HOTGVXAUSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)CN1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001437888939 1388179043 /nfs/dbraw/zinc/17/90/43/1388179043.db2.gz GLPZVNDXIQNMCV-IRXDYDNUSA-N 2 0 341.927 2.926 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001417837045 1373316758 /nfs/dbraw/zinc/31/67/58/1373316758.db2.gz JBCSVTJFJNSMRA-QGZVFWFLSA-N 2 0 341.927 2.976 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001418732635 1374434771 /nfs/dbraw/zinc/43/47/71/1374434771.db2.gz ISLMJUPNDXQKSE-PVAVHDDUSA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001419328877 1375110477 /nfs/dbraw/zinc/11/04/77/1375110477.db2.gz WDLRJELBFNSBLU-IRXDYDNUSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001419626022 1375574419 /nfs/dbraw/zinc/57/44/19/1375574419.db2.gz RPHBMYSRQSCBDH-HOTGVXAUSA-N 2 0 327.900 2.536 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001420748630 1377594426 /nfs/dbraw/zinc/59/44/26/1377594426.db2.gz VMOWLNMUTJMZEF-GOEBONIOSA-N 2 0 347.906 2.636 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001421010407 1378017081 /nfs/dbraw/zinc/01/70/81/1378017081.db2.gz ZFEMYTOVIMHGNE-IAGOWNOFSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001422393576 1380030175 /nfs/dbraw/zinc/03/01/75/1380030175.db2.gz UHJAGVGLFCCQJD-HUUCEWRRSA-N 2 0 337.895 2.640 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001422464252 1380150673 /nfs/dbraw/zinc/15/06/73/1380150673.db2.gz DZHQSHRIKPNLOM-UHFFFAOYSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001426134129 1384016716 /nfs/dbraw/zinc/01/67/16/1384016716.db2.gz INWQFNNJSMQURB-CVEARBPZSA-N 2 0 343.943 2.980 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001506812585 1406294551 /nfs/dbraw/zinc/29/45/51/1406294551.db2.gz KAGBMOMOYHICHB-LDLYASANSA-N 2 0 347.547 2.759 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001506864492 1406368819 /nfs/dbraw/zinc/36/88/19/1406368819.db2.gz FNYWBXLFOXCHBF-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001506866329 1406374035 /nfs/dbraw/zinc/37/40/35/1406374035.db2.gz VDXBAJDEEJBZIO-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001506867855 1406380105 /nfs/dbraw/zinc/38/01/05/1406380105.db2.gz ZUKLCOPSPMRCOE-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001440612200 1389774664 /nfs/dbraw/zinc/77/46/64/1389774664.db2.gz CTZGIHKVBCLUQN-UHFFFAOYSA-N 2 0 327.900 2.586 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001441406549 1391287137 /nfs/dbraw/zinc/28/71/37/1391287137.db2.gz YTKLIZTZXIKMLO-HZPDHXFCSA-N 2 0 329.916 2.732 10 30 EFEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001506958362 1406501224 /nfs/dbraw/zinc/50/12/24/1406501224.db2.gz RXQVUOCBOOVFPZ-SFHVURJKSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001506966682 1406521739 /nfs/dbraw/zinc/52/17/39/1406521739.db2.gz CRKXXKJJTVNAGX-UHFFFAOYSA-N 2 0 329.488 2.861 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001506978578 1406538894 /nfs/dbraw/zinc/53/88/94/1406538894.db2.gz ADJIYBJOVJLSNI-UXHICEINSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001448217903 1392025466 /nfs/dbraw/zinc/02/54/66/1392025466.db2.gz PAPZIGHZOOQZSN-GDBMZVCRSA-N 2 0 329.916 2.543 10 30 EFEERP C#CCCC[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462182830 1396425200 /nfs/dbraw/zinc/42/52/00/1396425200.db2.gz GDCUIUGETZAQRF-UHFFFAOYSA-N 2 0 329.444 2.852 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479246303 1397638509 /nfs/dbraw/zinc/63/85/09/1397638509.db2.gz MQNWGYVFCMCIFX-QFBILLFUSA-N 2 0 339.499 2.698 10 30 EFEERP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479423909 1397722721 /nfs/dbraw/zinc/72/27/21/1397722721.db2.gz CQMZMMGICLXITE-ZCNNSNEGSA-N 2 0 343.515 2.877 10 30 EFEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001479487051 1397735618 /nfs/dbraw/zinc/73/56/18/1397735618.db2.gz PUOSUJMTBLKCPL-SXLOBPIMSA-N 2 0 341.499 2.577 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]C[C@@H](C)CC)C2)CC1 ZINC001479695782 1397767101 /nfs/dbraw/zinc/76/71/01/1397767101.db2.gz OQNPTQLAUSCANO-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479744995 1397801895 /nfs/dbraw/zinc/80/18/95/1397801895.db2.gz JHNDMJWFGJERSF-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001479981242 1398067245 /nfs/dbraw/zinc/06/72/45/1398067245.db2.gz NLFMDAZHAFPJCF-KSZLIROESA-N 2 0 333.520 2.654 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086411 1398122880 /nfs/dbraw/zinc/12/28/80/1398122880.db2.gz XVRIGEYVBDAJNI-LPHOPBHVSA-N 2 0 339.499 2.555 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001507361164 1406952869 /nfs/dbraw/zinc/95/28/69/1406952869.db2.gz AUWPGNAAQQXAKG-OKZBNKHCSA-N 2 0 335.536 2.757 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001493838342 1398913612 /nfs/dbraw/zinc/91/36/12/1398913612.db2.gz YEUNNIXDEGJRFV-SFHVURJKSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904409 1398969551 /nfs/dbraw/zinc/96/95/51/1398969551.db2.gz HEPNZFDFKGLBSD-MOPGFXCFSA-N 2 0 329.488 2.740 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494146552 1399166406 /nfs/dbraw/zinc/16/64/06/1399166406.db2.gz VAYLMZKQUGNODW-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001494213750 1399217565 /nfs/dbraw/zinc/21/75/65/1399217565.db2.gz AURFYCXZRUDGKM-HOTGVXAUSA-N 2 0 341.927 2.782 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001494301349 1399267850 /nfs/dbraw/zinc/26/78/50/1399267850.db2.gz AHLONKPPQWWVDC-LJQANCHMSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494561774 1399379955 /nfs/dbraw/zinc/37/99/55/1399379955.db2.gz GFCIMVOXSVXMSE-UHFFFAOYSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495167129 1399710521 /nfs/dbraw/zinc/71/05/21/1399710521.db2.gz FQDDBTABFKMUNP-HZPDHXFCSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC001495302710 1399812729 /nfs/dbraw/zinc/81/27/29/1399812729.db2.gz KONXJTXFHJYVEC-HXUWFJFHSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001495324663 1399849582 /nfs/dbraw/zinc/84/95/82/1399849582.db2.gz JRQICOSWOOVJSI-XLIONFOSSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001495324659 1399849976 /nfs/dbraw/zinc/84/99/76/1399849976.db2.gz JRQICOSWOOVJSI-FXAWDEMLSA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001495358862 1399902765 /nfs/dbraw/zinc/90/27/65/1399902765.db2.gz XPKPUQXICCMWGW-INIZCTEOSA-N 2 0 347.528 2.665 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001495416294 1399962084 /nfs/dbraw/zinc/96/20/84/1399962084.db2.gz RLYQDDAZUXLVCK-UHFFFAOYSA-N 2 0 347.528 2.665 10 30 EFEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495742929 1400217040 /nfs/dbraw/zinc/21/70/40/1400217040.db2.gz LDJNZCXWGQMJOG-QAPCUYQASA-N 2 0 327.488 2.507 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC2CCC(C)CC2)CC1 ZINC001496238134 1400563170 /nfs/dbraw/zinc/56/31/70/1400563170.db2.gz IBFYQVBRTIJWJP-JLAWEPINSA-N 2 0 347.547 2.594 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CCCCC1 ZINC001496325231 1400640969 /nfs/dbraw/zinc/64/09/69/1400640969.db2.gz HNDQCOVSWXJCTP-IBGZPJMESA-N 2 0 333.520 2.540 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496414560 1400716392 /nfs/dbraw/zinc/71/63/92/1400716392.db2.gz BRDYMIOJYFSFMX-HXUWFJFHSA-N 2 0 341.499 2.746 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001496512398 1400786990 /nfs/dbraw/zinc/78/69/90/1400786990.db2.gz GUDIOFDLGBTQGZ-PKOBYXMFSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001496867716 1401063443 /nfs/dbraw/zinc/06/34/43/1401063443.db2.gz GIPQOHLAPBOBSC-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001497331634 1401308110 /nfs/dbraw/zinc/30/81/10/1401308110.db2.gz MXXUMXMGFOXJMC-ROUUACIJSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498496734 1402145676 /nfs/dbraw/zinc/14/56/76/1402145676.db2.gz MWGDDJQHZWIICS-RTBURBONSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498496728 1402145929 /nfs/dbraw/zinc/14/59/29/1402145929.db2.gz MWGDDJQHZWIICS-MOPGFXCFSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001498506569 1402151813 /nfs/dbraw/zinc/15/18/13/1402151813.db2.gz ZFWGMEFWPBQSKC-UXHICEINSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC 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RZHASEJRVBWKBI-LPHOPBHVSA-N 2 0 329.488 2.524 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001501129389 1403450889 /nfs/dbraw/zinc/45/08/89/1403450889.db2.gz GMGIOIPPBIHKAH-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001501147389 1403459338 /nfs/dbraw/zinc/45/93/38/1403459338.db2.gz XBZLTHQOMDFZQC-ROUUACIJSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001501189820 1403483567 /nfs/dbraw/zinc/48/35/67/1403483567.db2.gz CSFVTBACVWXVFK-ZJOUEHCJSA-N 2 0 347.547 2.951 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001501221811 1403498765 /nfs/dbraw/zinc/49/87/65/1403498765.db2.gz LPVPGGIFZNGEND-OKYOBFRVSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001501404685 1403590961 /nfs/dbraw/zinc/59/09/61/1403590961.db2.gz SSDUCEUJOZEFPV-OALUTQOASA-N 2 0 333.520 2.894 10 30 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IYPINNRDZRTAAK-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001505473162 1404709205 /nfs/dbraw/zinc/70/92/05/1404709205.db2.gz PYOKCHSVQPBTST-WOJBJXKFSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505637013 1404879343 /nfs/dbraw/zinc/87/93/43/1404879343.db2.gz GMGCHSSHTXZCNZ-KBPBESRZSA-N 2 0 329.916 2.875 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001505818121 1405104784 /nfs/dbraw/zinc/10/47/84/1405104784.db2.gz MPCMWTOAMKVDNE-UHFFFAOYSA-N 2 0 341.927 2.689 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCCC)CCCCC2)CC1 ZINC001506532749 1405918831 /nfs/dbraw/zinc/91/88/31/1405918831.db2.gz SYHQNJUAMAEOII-UHFFFAOYSA-N 2 0 333.520 2.540 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001506534039 1405920318 /nfs/dbraw/zinc/92/03/18/1405920318.db2.gz RTTWQNADDPTQRY-UHFFFAOYSA-N 2 0 327.900 2.632 10 30 EFEERP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001565922788 1415153879 /nfs/dbraw/zinc/15/38/79/1415153879.db2.gz STBTUIPEZKVNRZ-IAGOWNOFSA-N 2 0 339.499 2.555 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001565869384 1415440179 /nfs/dbraw/zinc/44/01/79/1415440179.db2.gz JVVIVYSSLAXHQI-IYARVYRRSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001565914307 1415448705 /nfs/dbraw/zinc/44/87/05/1415448705.db2.gz CYONVQJKZXCUAO-PKOBYXMFSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001565938748 1415457149 /nfs/dbraw/zinc/45/71/49/1415457149.db2.gz LNKLOEWSCHCORZ-HOCLYGCPSA-N 2 0 341.927 2.688 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001566044446 1415492437 /nfs/dbraw/zinc/49/24/37/1415492437.db2.gz LCMIUJRHKCSSGA-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001566533261 1415621273 /nfs/dbraw/zinc/62/12/73/1415621273.db2.gz LNWJQCMSRAHIOZ-YLJYHZDGSA-N 2 0 343.515 2.950 10 30 EFEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001566694232 1415735288 /nfs/dbraw/zinc/73/52/88/1415735288.db2.gz CEOHUDKAQSCHMT-ROUUACIJSA-N 2 0 335.536 2.879 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001566697551 1415737137 /nfs/dbraw/zinc/73/71/37/1415737137.db2.gz DNGHQPBKDBGWPW-LJQANCHMSA-N 2 0 333.520 2.586 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566719469 1415745234 /nfs/dbraw/zinc/74/52/34/1415745234.db2.gz LJNZPRLKOSZOEO-RBUKOAKNSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001566739780 1415754085 /nfs/dbraw/zinc/75/40/85/1415754085.db2.gz JKAOGBZOLTZUNG-GBESFXJTSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001566851346 1415798863 /nfs/dbraw/zinc/79/88/63/1415798863.db2.gz MLLVWYVQQPQYEQ-LJQANCHMSA-N 2 0 329.488 2.617 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001566914209 1415841620 /nfs/dbraw/zinc/84/16/20/1415841620.db2.gz ZDLNLCVTQBMBIM-SFHVURJKSA-N 2 0 329.488 2.766 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001567081877 1415928258 /nfs/dbraw/zinc/92/82/58/1415928258.db2.gz CZGVALJVDNSMAW-PXNSSMCTSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567124588 1415942388 /nfs/dbraw/zinc/94/23/88/1415942388.db2.gz JZPDDBZNLDWXNB-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001567155868 1415955972 /nfs/dbraw/zinc/95/59/72/1415955972.db2.gz ZDOPJCHQOYNXNH-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC/C=C\CCC)C2)CC1 ZINC001567154761 1415956132 /nfs/dbraw/zinc/95/61/32/1415956132.db2.gz INNZEFDQOKSVCI-RURPWVQCSA-N 2 0 345.531 2.516 10 30 EFEERP C[C@@H](CCNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001567227974 1416003055 /nfs/dbraw/zinc/00/30/55/1416003055.db2.gz MGXMDXHNEXMGGZ-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001567263706 1416040259 /nfs/dbraw/zinc/04/02/59/1416040259.db2.gz ZUNIKYWQEYAWKN-OALUTQOASA-N 2 0 333.520 2.633 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001567265414 1416043922 /nfs/dbraw/zinc/04/39/22/1416043922.db2.gz WRBXJLGYXHKPTI-LJQANCHMSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567409389 1416123335 /nfs/dbraw/zinc/12/33/35/1416123335.db2.gz GWPQKKCLRINRPI-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660335 1416234941 /nfs/dbraw/zinc/23/49/41/1416234941.db2.gz YOXKQJVCKBAPPD-OALUTQOASA-N 2 0 329.488 2.884 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660334 1416235072 /nfs/dbraw/zinc/23/50/72/1416235072.db2.gz YOXKQJVCKBAPPD-MOPGFXCFSA-N 2 0 329.488 2.884 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001567663400 1416236601 /nfs/dbraw/zinc/23/66/01/1416236601.db2.gz IUOKOXYRBDEOJX-FQEVSTJZSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664439 1416236945 /nfs/dbraw/zinc/23/69/45/1416236945.db2.gz XRRSCETZBFKTGX-WDSOQIARSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001567683587 1416246055 /nfs/dbraw/zinc/24/60/55/1416246055.db2.gz XYRLXQOCEQMZRC-RBUKOAKNSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567735964 1416264844 /nfs/dbraw/zinc/26/48/44/1416264844.db2.gz HSLJIFLYHZXDJU-SFHVURJKSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567861854 1416302046 /nfs/dbraw/zinc/30/20/46/1416302046.db2.gz FDSTYWOBOPSQSM-OALUTQOASA-N 2 0 327.472 2.613 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001568098016 1416409169 /nfs/dbraw/zinc/40/91/69/1416409169.db2.gz OUMHMJDQSBYSAP-HXUWFJFHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001568107731 1416412676 /nfs/dbraw/zinc/41/26/76/1416412676.db2.gz NBFQQJPOOVFZGZ-BZSNNMDCSA-N 2 0 333.520 2.987 10 30 EFEERP CC#CC[NH+]1CCC(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001568126484 1416420273 /nfs/dbraw/zinc/42/02/73/1416420273.db2.gz FMLRDEQIHDHQQP-UHFFFAOYSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001568130003 1416420580 /nfs/dbraw/zinc/42/05/80/1416420580.db2.gz PINYJVVTJUQYLG-RTBURBONSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001568348848 1416485962 /nfs/dbraw/zinc/48/59/62/1416485962.db2.gz KLVBOKHSUXXLGX-PKOBYXMFSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001688066179 1416918554 /nfs/dbraw/zinc/91/85/54/1416918554.db2.gz IUJRNKIXEDMADF-MOPGFXCFSA-N 2 0 333.520 2.748 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001690135882 1417163225 /nfs/dbraw/zinc/16/32/25/1417163225.db2.gz WTQIWPMORUMLPZ-UYAOXDASSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001690158600 1417166682 /nfs/dbraw/zinc/16/66/82/1417166682.db2.gz KNNPIMSZCVTQLA-SFHVURJKSA-N 2 0 326.444 2.707 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001690436385 1417214737 /nfs/dbraw/zinc/21/47/37/1417214737.db2.gz MNDUMTNQRYXJIE-INIZCTEOSA-N 2 0 333.476 2.749 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690727941 1417232115 /nfs/dbraw/zinc/23/21/15/1417232115.db2.gz GWLOKHCFVUJDMI-GOSISDBHSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001692153554 1417257045 /nfs/dbraw/zinc/25/70/45/1417257045.db2.gz QTPOQAIPQJHMRK-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001692153562 1417257168 /nfs/dbraw/zinc/25/71/68/1417257168.db2.gz QTPOQAIPQJHMRK-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001692335919 1417279431 /nfs/dbraw/zinc/27/94/31/1417279431.db2.gz BDODQDDDRPPMGH-VQTJNVASSA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001692335918 1417279478 /nfs/dbraw/zinc/27/94/78/1417279478.db2.gz BDODQDDDRPPMGH-UXHICEINSA-N 2 0 347.547 2.881 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001692376390 1417282975 /nfs/dbraw/zinc/28/29/75/1417282975.db2.gz MAYVYTFAHTVHBR-OALUTQOASA-N 2 0 335.536 2.974 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001698569802 1417307113 /nfs/dbraw/zinc/30/71/13/1417307113.db2.gz TYJLELLXAHEMOC-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001698804095 1417337788 /nfs/dbraw/zinc/33/77/88/1417337788.db2.gz ROHZZGMITVSWQW-QZTJIDSGSA-N 2 0 333.520 2.988 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CCCCC1 ZINC001698883973 1417343789 /nfs/dbraw/zinc/34/37/89/1417343789.db2.gz IAOFVLPKZRWQHV-IBGZPJMESA-N 2 0 333.520 2.540 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001698956416 1417356916 /nfs/dbraw/zinc/35/69/16/1417356916.db2.gz XBTPEPKNHWDCMR-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001699937034 1417513442 /nfs/dbraw/zinc/51/34/42/1417513442.db2.gz ZGBRLCDCTKDFAE-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001699944103 1417517214 /nfs/dbraw/zinc/51/72/14/1417517214.db2.gz KNSAYEUCEMJESP-AZUAARDMSA-N 2 0 343.515 2.564 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001699980176 1417535323 /nfs/dbraw/zinc/53/53/23/1417535323.db2.gz VWOOAZXHXKZPLA-CADBVGFASA-N 2 0 335.536 2.805 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CCCC)CC2)CC1 ZINC001699981443 1417536140 /nfs/dbraw/zinc/53/61/40/1417536140.db2.gz ICXZWIMBXDTMPZ-WGSAOQKQSA-N 2 0 347.547 2.644 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001700020463 1417541072 /nfs/dbraw/zinc/54/10/72/1417541072.db2.gz WDRUMBOBINRTLR-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001700089696 1417561823 /nfs/dbraw/zinc/56/18/23/1417561823.db2.gz BGWDZXPOXDVVOY-LJQANCHMSA-N 2 0 329.488 2.795 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001700089852 1417562178 /nfs/dbraw/zinc/56/21/78/1417562178.db2.gz CKYLROYQNNUEJI-UXHICEINSA-N 2 0 341.499 2.938 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001700089849 1417562253 /nfs/dbraw/zinc/56/22/53/1417562253.db2.gz CKYLROYQNNUEJI-PMACEKPBSA-N 2 0 341.499 2.938 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001700101316 1417570851 /nfs/dbraw/zinc/57/08/51/1417570851.db2.gz ZLJUUDPKHUTCLF-IYARVYRRSA-N 2 0 347.547 2.927 10 30 EFEERP C=C(C)CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001707189557 1418227749 /nfs/dbraw/zinc/22/77/49/1418227749.db2.gz ULFHWNTVFQTSSW-NZSAHSFTSA-N 2 0 335.536 2.898 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713144597 1418335825 /nfs/dbraw/zinc/33/58/25/1418335825.db2.gz UZEGCQDHYWPVDL-ZSYWTGECSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001713184289 1418364960 /nfs/dbraw/zinc/36/49/60/1418364960.db2.gz DAKJBRJMTSNLCQ-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223712 1418395433 /nfs/dbraw/zinc/39/54/33/1418395433.db2.gz FWZFZEUGTQXNJD-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224668 1418397634 /nfs/dbraw/zinc/39/76/34/1418397634.db2.gz ZPBPJEOYEFCXBU-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713275521 1418444717 /nfs/dbraw/zinc/44/47/17/1418444717.db2.gz JWAUEXLKFAZPGK-RTBURBONSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713277407 1418447539 /nfs/dbraw/zinc/44/75/39/1418447539.db2.gz IJWAAKLVFNEEPG-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278471 1418447799 /nfs/dbraw/zinc/44/77/99/1418447799.db2.gz SHNVBPSLLVMQAF-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713282948 1418452242 /nfs/dbraw/zinc/45/22/42/1418452242.db2.gz QFJYWFQWVSIWCF-LFDJNIOPSA-N 2 0 333.520 2.652 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713282949 1418452411 /nfs/dbraw/zinc/45/24/11/1418452411.db2.gz QFJYWFQWVSIWCF-LTFXXXRZSA-N 2 0 333.520 2.652 10 30 EFEERP C=CC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001713291630 1418458125 /nfs/dbraw/zinc/45/81/25/1418458125.db2.gz SCRBUWSZNSZVRJ-CTWPCTMYSA-N 2 0 329.488 2.882 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713360609 1418490995 /nfs/dbraw/zinc/49/09/95/1418490995.db2.gz MCKOTOWPXLKMIY-MJGOQNOKSA-N 2 0 329.488 2.694 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001713360905 1418491422 /nfs/dbraw/zinc/49/14/22/1418491422.db2.gz QXIRDZRVXVWTHM-GOSISDBHSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001714130346 1418581874 /nfs/dbraw/zinc/58/18/74/1418581874.db2.gz VTMIUCWOTGTKKI-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715397504 1418669886 /nfs/dbraw/zinc/66/98/86/1418669886.db2.gz BDQVVODQBHVDJC-QRQLOZEOSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715397503 1418670055 /nfs/dbraw/zinc/67/00/55/1418670055.db2.gz BDQVVODQBHVDJC-BHIYHBOVSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001715404174 1418671522 /nfs/dbraw/zinc/67/15/22/1418671522.db2.gz MBAQGMWKOUUBRI-LJQANCHMSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001715543913 1418677813 /nfs/dbraw/zinc/67/78/13/1418677813.db2.gz BNUMGDGFQSMAGH-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715858812 1418690469 /nfs/dbraw/zinc/69/04/69/1418690469.db2.gz DAEKSBZYXMRPDG-OSJSJHBBSA-N 2 0 339.911 2.798 10 30 EFEERP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716294125 1418755915 /nfs/dbraw/zinc/75/59/15/1418755915.db2.gz QFCPPKDGNGJMJS-MJRGOJFPSA-N 2 0 333.520 2.869 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001716706519 1418965415 /nfs/dbraw/zinc/96/54/15/1418965415.db2.gz QSJLEAKWFZGOQD-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001716707914 1418966250 /nfs/dbraw/zinc/96/62/50/1418966250.db2.gz ICVUFEWOVMEHPL-XVLXNVKGSA-N 2 0 333.520 2.939 10 30 EFEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716708457 1418966635 /nfs/dbraw/zinc/96/66/35/1418966635.db2.gz GEYIMFYSAYJTII-RAFMOHDBSA-N 2 0 345.531 2.774 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001716730710 1418980753 /nfs/dbraw/zinc/98/07/53/1418980753.db2.gz FUJLILQJNLVYFI-TZIWHRDSSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001716734926 1418984341 /nfs/dbraw/zinc/98/43/41/1418984341.db2.gz GDSLPSROUXIULK-FPOVZHCZSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CCC=C)CC1 ZINC001716809954 1419023578 /nfs/dbraw/zinc/02/35/78/1419023578.db2.gz YOHXSZKCTBKQST-LJQANCHMSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001716809918 1419023709 /nfs/dbraw/zinc/02/37/09/1419023709.db2.gz XDDGWZGIJBCRPW-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812884 1419025975 /nfs/dbraw/zinc/02/59/75/1419025975.db2.gz UKDCUQSFGUSYHZ-DYESRHJHSA-N 2 0 349.478 2.562 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001716817089 1419028523 /nfs/dbraw/zinc/02/85/23/1419028523.db2.gz GFBQFVIDHZEVFE-RTBURBONSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001716817088 1419028773 /nfs/dbraw/zinc/02/87/73/1419028773.db2.gz GFBQFVIDHZEVFE-RBUKOAKNSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001716823650 1419032992 /nfs/dbraw/zinc/03/29/92/1419032992.db2.gz LRPSEESEZITFFT-IBGZPJMESA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001716825492 1419033907 /nfs/dbraw/zinc/03/39/07/1419033907.db2.gz ZMEZIRKEEKKDBW-MOPGFXCFSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001716870501 1419066676 /nfs/dbraw/zinc/06/66/76/1419066676.db2.gz BHWDWFIJHBYNBS-NRFANRHFSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001716894480 1419080163 /nfs/dbraw/zinc/08/01/63/1419080163.db2.gz QSCVLZRNAYHQLG-NSHGMRRFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001716991820 1419128805 /nfs/dbraw/zinc/12/88/05/1419128805.db2.gz HODKXSUANWAVEL-LPHOPBHVSA-N 2 0 329.488 2.622 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001717002445 1419138122 /nfs/dbraw/zinc/13/81/22/1419138122.db2.gz ULABHOOFQYEZLM-LWYYNNOASA-N 2 0 345.531 2.539 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717004506 1419140235 /nfs/dbraw/zinc/14/02/35/1419140235.db2.gz OGGULFQICFYJJD-LWYYNNOASA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001717009954 1419145744 /nfs/dbraw/zinc/14/57/44/1419145744.db2.gz MQSMPOYGBDURAM-INDMIFKZSA-N 2 0 333.520 2.604 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001717009952 1419146154 /nfs/dbraw/zinc/14/61/54/1419146154.db2.gz MPPOIPYYBWFSSB-AKHDSKFASA-N 2 0 335.536 2.687 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001717034113 1419166025 /nfs/dbraw/zinc/16/60/25/1419166025.db2.gz ZLMUTLOMXBLQAX-CEXWTWQISA-N 2 0 333.520 2.892 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001717036508 1419169530 /nfs/dbraw/zinc/16/95/30/1419169530.db2.gz URKWCMLTFACUSO-UXHICEINSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717042910 1419176377 /nfs/dbraw/zinc/17/63/77/1419176377.db2.gz MCLLTPXCLVBRGD-CEXWTWQISA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC001717112851 1419217495 /nfs/dbraw/zinc/21/74/95/1419217495.db2.gz BHYFUNIENCBMRM-UHFFFAOYSA-N 2 0 341.499 2.939 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001717130568 1419228825 /nfs/dbraw/zinc/22/88/25/1419228825.db2.gz YVZLUWSXIOLDBO-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001717130569 1419228940 /nfs/dbraw/zinc/22/89/40/1419228940.db2.gz YVZLUWSXIOLDBO-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@H+]1CCc2c(CNC(=O)C3([NH+](C)C)CCC3)cccc2C1 ZINC001717143467 1419235084 /nfs/dbraw/zinc/23/50/84/1419235084.db2.gz KFGDRBMZLOSEIV-UHFFFAOYSA-N 2 0 341.499 2.721 10 30 EFEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001717149959 1419239145 /nfs/dbraw/zinc/23/91/45/1419239145.db2.gz IWPHIEDNIFTOMN-KRWDZBQOSA-N 2 0 333.520 2.846 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001717285151 1419307733 /nfs/dbraw/zinc/30/77/33/1419307733.db2.gz ZUKLCZMELRXKQU-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717297620 1419313263 /nfs/dbraw/zinc/31/32/63/1419313263.db2.gz BLDMSQDLMMIHNS-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310907 1419322753 /nfs/dbraw/zinc/32/27/53/1419322753.db2.gz PWKBPMDCKMJRMG-OKZBNKHCSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313399 1419324157 /nfs/dbraw/zinc/32/41/57/1419324157.db2.gz SSEYSSWCRLKMQZ-IBGZPJMESA-N 2 0 345.531 2.515 10 30 EFEERP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717316275 1419326545 /nfs/dbraw/zinc/32/65/45/1419326545.db2.gz USGGUCHOPSIJFJ-UHFFFAOYSA-N 2 0 343.515 2.663 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717356260 1419350415 /nfs/dbraw/zinc/35/04/15/1419350415.db2.gz RMDLQCSOQUHYRH-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001717357200 1419351412 /nfs/dbraw/zinc/35/14/12/1419351412.db2.gz AYPLKEWGUJUNEC-NRFANRHFSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001717377464 1419368877 /nfs/dbraw/zinc/36/88/77/1419368877.db2.gz CDSUGAXJZPSLJI-VQTJNVASSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717393526 1419376566 /nfs/dbraw/zinc/37/65/66/1419376566.db2.gz AZFGUJFYEALHGD-NKELODKYSA-N 2 0 329.488 2.740 10 30 EFEERP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001717523541 1419426760 /nfs/dbraw/zinc/42/67/60/1419426760.db2.gz UVXPEQXHOIYUOG-SFHVURJKSA-N 2 0 345.531 2.683 10 30 EFEERP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625097 1419474446 /nfs/dbraw/zinc/47/44/46/1419474446.db2.gz WMBQLSOZWDREEH-KSZLIROESA-N 2 0 335.536 2.757 10 30 EFEERP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001717625099 1419474628 /nfs/dbraw/zinc/47/46/28/1419474628.db2.gz WMBQLSOZWDREEH-RCCFBDPRSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001717626397 1419476071 /nfs/dbraw/zinc/47/60/71/1419476071.db2.gz HECKWRXCHTXIJW-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734394 1419530122 /nfs/dbraw/zinc/53/01/22/1419530122.db2.gz CRKUSINXNVOOPM-WOJBJXKFSA-N 2 0 345.531 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001717756787 1419537256 /nfs/dbraw/zinc/53/72/56/1419537256.db2.gz IPFNFSIFCVRVRJ-XBMUEBEBSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001717840627 1419570386 /nfs/dbraw/zinc/57/03/86/1419570386.db2.gz LYCGNIJHYLYFLK-CGBFIWBNSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840628 1419570404 /nfs/dbraw/zinc/57/04/04/1419570404.db2.gz LYCGNIJHYLYFLK-GNBUJSLZSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001717848127 1419576592 /nfs/dbraw/zinc/57/65/92/1419576592.db2.gz WQJBGOITOUGZAC-CEXWTWQISA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001717848880 1419577181 /nfs/dbraw/zinc/57/71/81/1419577181.db2.gz KNCNIAYYBKWTNH-GBESFXJTSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001717909510 1419615261 /nfs/dbraw/zinc/61/52/61/1419615261.db2.gz RRBDTXKRSBDVOP-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)C[C@@H](C)CC)C(C)C)CC1 ZINC001717952419 1419626457 /nfs/dbraw/zinc/62/64/57/1419626457.db2.gz HKQIOSDRFIYXJS-SFHVURJKSA-N 2 0 335.536 2.547 10 30 EFEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717985708 1419643407 /nfs/dbraw/zinc/64/34/07/1419643407.db2.gz RWTDKNVOGHZQKY-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001717987255 1419644291 /nfs/dbraw/zinc/64/42/91/1419644291.db2.gz RRJFUGBKDWYSQG-HUUCEWRRSA-N 2 0 349.441 2.662 10 30 EFEERP C=CC[NH+]1CCC(C2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001718003530 1419651416 /nfs/dbraw/zinc/65/14/16/1419651416.db2.gz LDLXDLLSYXZAJD-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001718024127 1419663794 /nfs/dbraw/zinc/66/37/94/1419663794.db2.gz OPNWDPHQAMVDSL-UHFFFAOYSA-N 2 0 333.520 2.823 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001722956144 1424384868 /nfs/dbraw/zinc/38/48/68/1424384868.db2.gz UDLVRSRNIXJPTK-RBUKOAKNSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC=C)[C@H](CC)C2)CC1 ZINC001723386045 1424483056 /nfs/dbraw/zinc/48/30/56/1424483056.db2.gz PSEQZROAVNAVND-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001723560324 1424524173 /nfs/dbraw/zinc/52/41/73/1424524173.db2.gz CAIHMXGKRPKIMY-MOPGFXCFSA-N 2 0 341.499 2.536 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608676 1424532700 /nfs/dbraw/zinc/53/27/00/1424532700.db2.gz RLEYVBVRCSNNBN-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001723632174 1424539853 /nfs/dbraw/zinc/53/98/53/1424539853.db2.gz MYWDWWSZOVJZAA-UHOSZYNNSA-N 2 0 333.520 2.748 10 30 EFEERP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001723646937 1424545447 /nfs/dbraw/zinc/54/54/47/1424545447.db2.gz FCWNHKZGCXCJJX-YLJYHZDGSA-N 2 0 347.547 2.996 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001723649111 1424547587 /nfs/dbraw/zinc/54/75/87/1424547587.db2.gz HJBFVDWCRSKRRZ-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001723648624 1424548208 /nfs/dbraw/zinc/54/82/08/1424548208.db2.gz VEBQZVQCADNVCV-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678919 1424555053 /nfs/dbraw/zinc/55/50/53/1424555053.db2.gz GKKNCHKEGLXOOV-AZUAARDMSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH+]1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001723699299 1424561827 /nfs/dbraw/zinc/56/18/27/1424561827.db2.gz IEOGWBKURZOQOE-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001723864661 1424598674 /nfs/dbraw/zinc/59/86/74/1424598674.db2.gz XBKAIIUMYLZGDV-UYAOXDASSA-N 2 0 343.515 2.706 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001724057849 1424639658 /nfs/dbraw/zinc/63/96/58/1424639658.db2.gz ABDXYXATJUXDJD-SFHVURJKSA-N 2 0 335.536 2.689 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC001724102859 1424659033 /nfs/dbraw/zinc/65/90/33/1424659033.db2.gz MLAHFVRFTJCEKZ-LJQANCHMSA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001724110824 1424661344 /nfs/dbraw/zinc/66/13/44/1424661344.db2.gz WPMVOEXUBSYSAG-FQEVSTJZSA-N 2 0 341.499 2.650 10 30 EFEERP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001724332267 1424739180 /nfs/dbraw/zinc/73/91/80/1424739180.db2.gz ZWLZIIIHPFMKFI-QUCCMNQESA-N 2 0 335.536 2.903 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1CC ZINC001724511856 1424775828 /nfs/dbraw/zinc/77/58/28/1424775828.db2.gz NCUKYEIDANCBQB-FQEVSTJZSA-N 2 0 341.499 2.505 10 30 EFEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724555018 1424794778 /nfs/dbraw/zinc/79/47/78/1424794778.db2.gz PADFAXMPCYKYSR-PXNSSMCTSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001724613032 1424832423 /nfs/dbraw/zinc/83/24/23/1424832423.db2.gz WYCFTWSMMRTERG-HKUYNNGSSA-N 2 0 335.536 2.757 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724613404 1424833913 /nfs/dbraw/zinc/83/39/13/1424833913.db2.gz VKZPYHIHVODDPT-NCXUSEDFSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001724626605 1424851875 /nfs/dbraw/zinc/85/18/75/1424851875.db2.gz HVSZLXQXZQRVFU-ZCNNSNEGSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656059 1424892488 /nfs/dbraw/zinc/89/24/88/1424892488.db2.gz QPUWPKAWOBBNKX-RBUKOAKNSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001724660342 1424901579 /nfs/dbraw/zinc/90/15/79/1424901579.db2.gz WPVVWSXEUFAYJG-GBESFXJTSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001724737586 1424962621 /nfs/dbraw/zinc/96/26/21/1424962621.db2.gz QHTYKVIKFPATGO-FQEVSTJZSA-N 2 0 341.499 2.653 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724754131 1424983746 /nfs/dbraw/zinc/98/37/46/1424983746.db2.gz HZTHOBSVLLIBOV-NCXUSEDFSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724755427 1424986155 /nfs/dbraw/zinc/98/61/55/1424986155.db2.gz VDQLREJOPLGALJ-BZSNNMDCSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)C[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001724776181 1425003339 /nfs/dbraw/zinc/00/33/39/1425003339.db2.gz HNVBYKLTNNXIAY-KRWDZBQOSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C)C[NH+]1CCc2c(CNC(=O)C[N@H+]3CC[C@H](C)C3)cccc2C1 ZINC001724777147 1425004501 /nfs/dbraw/zinc/00/45/01/1425004501.db2.gz NSWRBEBACMQLGL-KRWDZBQOSA-N 2 0 341.499 2.579 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCC(C)(C)C)CCC2)CC1 ZINC001724800052 1425022393 /nfs/dbraw/zinc/02/23/93/1425022393.db2.gz KHJSANZJUCMOHL-UHFFFAOYSA-N 2 0 347.547 2.786 10 30 EFEERP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001724863273 1425078674 /nfs/dbraw/zinc/07/86/74/1425078674.db2.gz ORHJLFCJUIXBTC-VQTJNVASSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724866090 1425081967 /nfs/dbraw/zinc/08/19/67/1425081967.db2.gz ZVPNUTZVXJFEHM-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724866092 1425082803 /nfs/dbraw/zinc/08/28/03/1425082803.db2.gz ZVPNUTZVXJFEHM-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001725025682 1425237065 /nfs/dbraw/zinc/23/70/65/1425237065.db2.gz KLZGCHZXENJKSC-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001725032236 1425242291 /nfs/dbraw/zinc/24/22/91/1425242291.db2.gz JVKCVCIEHFBLQZ-RARDXLECSA-N 2 0 341.499 2.665 10 30 EFEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725033117 1425243785 /nfs/dbraw/zinc/24/37/85/1425243785.db2.gz OHHBQEUKLIQKKW-IEBWSBKVSA-N 2 0 329.488 2.522 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001725038106 1425247928 /nfs/dbraw/zinc/24/79/28/1425247928.db2.gz BGEUTBXYCMRMBN-IBGZPJMESA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725055594 1425265941 /nfs/dbraw/zinc/26/59/41/1425265941.db2.gz MUMAHBVECVAYIT-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001725180441 1425360400 /nfs/dbraw/zinc/36/04/00/1425360400.db2.gz LPSIOJSGPAMJGP-SXLOBPIMSA-N 2 0 343.515 2.735 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001725211004 1425380306 /nfs/dbraw/zinc/38/03/06/1425380306.db2.gz AQRHUTOILCDKQW-MOPGFXCFSA-N 2 0 335.536 2.735 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725241651 1425407531 /nfs/dbraw/zinc/40/75/31/1425407531.db2.gz MSCLWMVFBJKXAC-RTBURBONSA-N 2 0 333.520 2.635 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725241648 1425408127 /nfs/dbraw/zinc/40/81/27/1425408127.db2.gz MSCLWMVFBJKXAC-MOPGFXCFSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725257288 1425420036 /nfs/dbraw/zinc/42/00/36/1425420036.db2.gz ROCANTYMURBSRR-CQSZACIVSA-N 2 0 326.444 2.659 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001725338200 1425483730 /nfs/dbraw/zinc/48/37/30/1425483730.db2.gz ZWUPVIQOESYJFV-IPMKNSEASA-N 2 0 333.520 2.655 10 30 EFEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001725343006 1425491541 /nfs/dbraw/zinc/49/15/41/1425491541.db2.gz GYPVDBHIZDMNSY-UHFFFAOYSA-N 2 0 335.536 2.977 10 30 EFEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC001725346176 1425494541 /nfs/dbraw/zinc/49/45/41/1425494541.db2.gz AJMWKDBIFUKYQW-JYAXBFRTSA-N 2 0 347.547 2.853 10 30 EFEERP CC#CC[NH2+]CCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001725439826 1425583185 /nfs/dbraw/zinc/58/31/85/1425583185.db2.gz OIEPVANAHLENQE-FQEVSTJZSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001725627736 1425725048 /nfs/dbraw/zinc/72/50/48/1425725048.db2.gz OTGXLGCJCICERE-XUVXKRRUSA-N 2 0 347.547 2.900 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C(C)(C)C ZINC001725753516 1425820408 /nfs/dbraw/zinc/82/04/08/1425820408.db2.gz ZKFDGYYTJYOCTF-LJQANCHMSA-N 2 0 343.515 2.548 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC/C=C\CC)C(C)(C)C)CC1 ZINC001725758364 1425824900 /nfs/dbraw/zinc/82/49/00/1425824900.db2.gz RWZMFSHTSOENOR-QWUACUGRSA-N 2 0 347.547 2.808 10 30 EFEERP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC001725779820 1425845551 /nfs/dbraw/zinc/84/55/51/1425845551.db2.gz GNIITXREFNZRCK-KBPBESRZSA-N 2 0 349.441 2.519 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001725832879 1425899970 /nfs/dbraw/zinc/89/99/70/1425899970.db2.gz HISDIASVKNXELU-FUHWJXTLSA-N 2 0 347.478 2.838 10 30 EFEERP C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000261937718 722078580 /nfs/dbraw/zinc/07/85/80/722078580.db2.gz CVAOQMPPNWLWLJ-IJXRJRJASA-N 2 0 340.515 2.957 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907379546 726932092 /nfs/dbraw/zinc/93/20/92/726932092.db2.gz VFNHSMMYUJWRKQ-LJQANCHMSA-N 2 0 329.488 2.617 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000911574897 727564211 /nfs/dbraw/zinc/56/42/11/727564211.db2.gz RNSUUSONSIUMGT-PMACEKPBSA-N 2 0 341.499 2.762 10 30 EFEERP COCC[N@@H+]1CCC[C@H]1CNC(NCc1ccccc1)=[NH+]C(C)(C)C ZINC000912498672 727718494 /nfs/dbraw/zinc/71/84/94/727718494.db2.gz DJCOJTLRYBPTLX-SFHVURJKSA-N 2 0 346.519 2.631 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC1(C)C ZINC000940807944 728254759 /nfs/dbraw/zinc/25/47/59/728254759.db2.gz XAVSGGZOQBZGTA-ZWKOTPCHSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940858355 728296756 /nfs/dbraw/zinc/29/67/56/728296756.db2.gz LZVUZKVAMUPESH-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972258 728344509 /nfs/dbraw/zinc/34/45/09/728344509.db2.gz KEESVERHDRLGGA-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972640 728344943 /nfs/dbraw/zinc/34/49/43/728344943.db2.gz OQAUBCKVWZHLPL-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979296 728347633 /nfs/dbraw/zinc/34/76/33/728347633.db2.gz GWHYSBHGJOVGSI-OKZBNKHCSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092261 728399099 /nfs/dbraw/zinc/39/90/99/728399099.db2.gz CKKWQXOREVIFSJ-IBGZPJMESA-N 2 0 341.499 2.602 10 30 EFEERP C#CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCCC1 ZINC001569450431 1085233481 /nfs/dbraw/zinc/23/34/81/1085233481.db2.gz FCUXZSUVGZLOLA-UHFFFAOYSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001569451648 1085237118 /nfs/dbraw/zinc/23/71/18/1085237118.db2.gz FNQALEYQDRSIKN-LJQANCHMSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001569479568 1085286881 /nfs/dbraw/zinc/28/68/81/1085286881.db2.gz YRXXRKQELIIGSY-CMKODMSKSA-N 2 0 333.520 2.607 10 30 EFEERP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001569589384 1085412484 /nfs/dbraw/zinc/41/24/84/1085412484.db2.gz KSJNFIDMNLLLJN-OALUTQOASA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C[C@H](C)n1ccnc1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001569594006 1085417043 /nfs/dbraw/zinc/41/70/43/1085417043.db2.gz UBSMKPKKRAEAIL-IRXDYDNUSA-N 2 0 348.466 2.509 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001569621055 1085447587 /nfs/dbraw/zinc/44/75/87/1085447587.db2.gz ACMQGBBGFQBBHP-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001569648582 1085481920 /nfs/dbraw/zinc/48/19/20/1085481920.db2.gz WXJUMUDXASMEJZ-OALUTQOASA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569655849 1085490188 /nfs/dbraw/zinc/49/01/88/1085490188.db2.gz XTDDLMHINQZHPN-HXUWFJFHSA-N 2 0 329.488 2.909 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001569706396 1085535923 /nfs/dbraw/zinc/53/59/23/1085535923.db2.gz JQKOLCDNSHRKRJ-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001569801866 1085617619 /nfs/dbraw/zinc/61/76/19/1085617619.db2.gz JNZPTZKUVNZJNK-UXHICEINSA-N 2 0 341.499 2.504 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001569801031 1085617783 /nfs/dbraw/zinc/61/77/83/1085617783.db2.gz YPJMWXZJFMYQSZ-UXHICEINSA-N 2 0 347.547 2.855 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001569869314 1085698471 /nfs/dbraw/zinc/69/84/71/1085698471.db2.gz RPBZVNZSJQKQQA-VQTJNVASSA-N 2 0 341.499 2.808 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001569871134 1085701572 /nfs/dbraw/zinc/70/15/72/1085701572.db2.gz XGIIRICGBSEXCU-UHFFFAOYSA-N 2 0 343.515 2.913 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001569989115 1085826330 /nfs/dbraw/zinc/82/63/30/1085826330.db2.gz YPZWJZKYGKRYJZ-SJORKVTESA-N 2 0 341.927 2.688 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569998671 1085839765 /nfs/dbraw/zinc/83/97/65/1085839765.db2.gz RMJZEAGLWPDMRO-OALUTQOASA-N 2 0 335.536 2.903 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001570021855 1085869354 /nfs/dbraw/zinc/86/93/54/1085869354.db2.gz JWZPMBWHUZXSJQ-MRXNPFEDSA-N 2 0 349.906 2.943 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001570053393 1085907495 /nfs/dbraw/zinc/90/74/95/1085907495.db2.gz DIXMJAFVWOJLCF-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H](F)C[NH+](CC)CC)cccc2C1 ZINC001570078260 1085933179 /nfs/dbraw/zinc/93/31/79/1085933179.db2.gz QWROHOKMAARSOF-IBGZPJMESA-N 2 0 347.478 2.527 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)[C@H](F)C[NH+](CC)CC)cccc2C1 ZINC001570078261 1085934120 /nfs/dbraw/zinc/93/41/20/1085934120.db2.gz QWROHOKMAARSOF-LJQANCHMSA-N 2 0 347.478 2.527 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCC1 ZINC001570113521 1085960973 /nfs/dbraw/zinc/96/09/73/1085960973.db2.gz XNMLYPFBSWPPKZ-UHFFFAOYSA-N 2 0 329.488 2.609 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001570220918 1086062609 /nfs/dbraw/zinc/06/26/09/1086062609.db2.gz YETZARFGXYBJTH-MOPGFXCFSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001570273971 1086113103 /nfs/dbraw/zinc/11/31/03/1086113103.db2.gz ZWXGBWJWPFWYBH-QKNQBKEWSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001570314064 1086143850 /nfs/dbraw/zinc/14/38/50/1086143850.db2.gz VZRJBUPPVWZBCC-IBGZPJMESA-N 2 0 329.488 2.925 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001570540446 1086334365 /nfs/dbraw/zinc/33/43/65/1086334365.db2.gz ONUAUSLNRIXSOY-IBGZPJMESA-N 2 0 329.488 2.513 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001570540447 1086336121 /nfs/dbraw/zinc/33/61/21/1086336121.db2.gz ONUAUSLNRIXSOY-LJQANCHMSA-N 2 0 329.488 2.513 10 30 EFEERP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570551782 1086356938 /nfs/dbraw/zinc/35/69/38/1086356938.db2.gz UJSLQZHHKCHIGH-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570812344 1086532958 /nfs/dbraw/zinc/53/29/58/1086532958.db2.gz PUOHCNHPYMMTRM-HKUYNNGSSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001570905403 1086606055 /nfs/dbraw/zinc/60/60/55/1086606055.db2.gz SIIKXFDQVHCPEX-AEFFLSMTSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001570908019 1086607345 /nfs/dbraw/zinc/60/73/45/1086607345.db2.gz SYQSVJRQNRIKCQ-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001570923770 1086614981 /nfs/dbraw/zinc/61/49/81/1086614981.db2.gz FJEGSHPKSYWRHK-NNZMDNLPSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001571021287 1086645825 /nfs/dbraw/zinc/64/58/25/1086645825.db2.gz GCXUOYBYQLQTFA-UFYCRDLUSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001571021288 1086646068 /nfs/dbraw/zinc/64/60/68/1086646068.db2.gz GCXUOYBYQLQTFA-XUVXKRRUSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001571038365 1086651754 /nfs/dbraw/zinc/65/17/54/1086651754.db2.gz FMOQDHAMNVZSNW-SFHVURJKSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001571048637 1086655448 /nfs/dbraw/zinc/65/54/48/1086655448.db2.gz HKSGNKXPFORDRL-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC001571060241 1086658034 /nfs/dbraw/zinc/65/80/34/1086658034.db2.gz VVWDXIGYUQFUQL-KDURUIRLSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001571333493 1086732028 /nfs/dbraw/zinc/73/20/28/1086732028.db2.gz TVLKQGXBSKVRIU-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)Cc1ccccc1 ZINC001571337096 1086736939 /nfs/dbraw/zinc/73/69/39/1086736939.db2.gz UQYCPIRQFADOBK-FQEVSTJZSA-N 2 0 341.499 2.501 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001571346930 1086745253 /nfs/dbraw/zinc/74/52/53/1086745253.db2.gz IBSHABCMTDFXMX-MISYRCLQSA-N 2 0 341.499 2.577 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001571487388 1086874359 /nfs/dbraw/zinc/87/43/59/1086874359.db2.gz RCAQNYVLAFVXKS-XLIONFOSSA-N 2 0 343.515 2.950 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001571508769 1086914630 /nfs/dbraw/zinc/91/46/30/1086914630.db2.gz JMITZNMWZLEGKS-KZNAEPCWSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001571510481 1086915739 /nfs/dbraw/zinc/91/57/39/1086915739.db2.gz FDACSXOOMMBHOS-SLFFLAALSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001571510620 1086915781 /nfs/dbraw/zinc/91/57/81/1086915781.db2.gz HHXRYZCHFTXHHK-CEXWTWQISA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001571559379 1086960837 /nfs/dbraw/zinc/96/08/37/1086960837.db2.gz DFRPJUULEBHZTI-IAGOWNOFSA-N 2 0 333.520 2.796 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001571626044 1086996045 /nfs/dbraw/zinc/99/60/45/1086996045.db2.gz QHMUOYAXVYSFEE-QZTJIDSGSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571700612 1087073501 /nfs/dbraw/zinc/07/35/01/1087073501.db2.gz JEFBEZWYJXGKCS-IBGZPJMESA-N 2 0 333.520 2.821 10 30 EFEERP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001649435029 1092453895 /nfs/dbraw/zinc/45/38/95/1092453895.db2.gz LPPKFYVRFZKYBO-RBUKOAKNSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267058984 1092498197 /nfs/dbraw/zinc/49/81/97/1092498197.db2.gz XFJFUGJWTMPXFJ-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267058985 1092498993 /nfs/dbraw/zinc/49/89/93/1092498993.db2.gz XFJFUGJWTMPXFJ-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2CCCCC2)CC1 ZINC001649469251 1092508945 /nfs/dbraw/zinc/50/89/45/1092508945.db2.gz FHRLYHILHKRAAL-SFHVURJKSA-N 2 0 347.547 2.786 10 30 EFEERP CC[N@H+](C)CCC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267151448 1092926216 /nfs/dbraw/zinc/92/62/16/1092926216.db2.gz QOPUXPGMCAOUSQ-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2cncn2C1 ZINC001267170092 1093045076 /nfs/dbraw/zinc/04/50/76/1093045076.db2.gz DKCVTTSZGZUGPE-ROUUACIJSA-N 2 0 344.503 2.773 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267200343 1093173584 /nfs/dbraw/zinc/17/35/84/1093173584.db2.gz BTQHMVUXQQZIFN-HNAYVOBHSA-N 2 0 339.499 2.602 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267267137 1093425999 /nfs/dbraw/zinc/42/59/99/1093425999.db2.gz LNTDNBIZWQQDMZ-RBUKOAKNSA-N 2 0 335.536 2.879 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481092699 1094423102 /nfs/dbraw/zinc/42/31/02/1094423102.db2.gz MZFRNTZIUYNMBK-MJGOQNOKSA-N 2 0 333.520 2.513 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001267382636 1094427854 /nfs/dbraw/zinc/42/78/54/1094427854.db2.gz RVNZSZAEGXREFB-RTWAWAEBSA-N 2 0 349.478 2.760 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001267473875 1094763553 /nfs/dbraw/zinc/76/35/53/1094763553.db2.gz LCIHPRBQIPTNML-FQEVSTJZSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001268048126 1094943424 /nfs/dbraw/zinc/94/34/24/1094943424.db2.gz NQPODFJZSWLIQQ-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267492773 1094952684 /nfs/dbraw/zinc/95/26/84/1094952684.db2.gz MIASHTUVGPIFCJ-DLBZAZTESA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001267493749 1094963094 /nfs/dbraw/zinc/96/30/94/1094963094.db2.gz UPHUEXPKPSKVSI-KRWDZBQOSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001267520530 1095220804 /nfs/dbraw/zinc/22/08/04/1095220804.db2.gz QVRPQJWKRMFQSU-OALUTQOASA-N 2 0 329.488 2.884 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001267665780 1095382989 /nfs/dbraw/zinc/38/29/89/1095382989.db2.gz LIVUYGSRSIDHTQ-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001268121890 1095411159 /nfs/dbraw/zinc/41/11/59/1095411159.db2.gz UZMCIZOPPZZEFF-GBESFXJTSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001268121433 1095413232 /nfs/dbraw/zinc/41/32/32/1095413232.db2.gz ACMYUBXEFMNZEZ-HKUYNNGSSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001267542498 1095427032 /nfs/dbraw/zinc/42/70/32/1095427032.db2.gz XWRLSNLJAQLWJF-BRWVUGGUSA-N 2 0 330.476 2.792 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001267544620 1095442267 /nfs/dbraw/zinc/44/22/67/1095442267.db2.gz SAFYVVDVTVMEJD-ROUUACIJSA-N 2 0 344.503 2.725 10 30 EFEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267547477 1095458257 /nfs/dbraw/zinc/45/82/57/1095458257.db2.gz YDXFPXGVCOZXFF-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481583632 1095464095 /nfs/dbraw/zinc/46/40/95/1095464095.db2.gz DSSRUMAIWCOBGE-MRXNPFEDSA-N 2 0 329.488 2.559 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001671428812 1095477971 /nfs/dbraw/zinc/47/79/71/1095477971.db2.gz MOTGLFMDMQEJKW-UHFFFAOYSA-N 2 0 343.515 2.708 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001267558704 1095528827 /nfs/dbraw/zinc/52/88/27/1095528827.db2.gz FQAAEGMFOGAMSQ-HNNXBMFYSA-N 2 0 335.517 2.828 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001267733110 1095747996 /nfs/dbraw/zinc/74/79/96/1095747996.db2.gz CESRUKLACUEGMY-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001268201113 1096091502 /nfs/dbraw/zinc/09/15/02/1096091502.db2.gz GTEQQDDDRITINI-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268289817 1096269989 /nfs/dbraw/zinc/26/99/89/1096269989.db2.gz RLYYKRLXQYTQFN-OALUTQOASA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)N(C)CC ZINC001481680912 1096293346 /nfs/dbraw/zinc/29/33/46/1096293346.db2.gz BZSULXIEOFIMJI-UFYCRDLUSA-N 2 0 341.499 2.931 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001481684644 1096306536 /nfs/dbraw/zinc/30/65/36/1096306536.db2.gz UREWJXDMDNIIOX-IRXDYDNUSA-N 2 0 345.487 2.986 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484689 1096474668 /nfs/dbraw/zinc/47/46/68/1096474668.db2.gz CZPXGWHJVYQZRW-HOCLYGCPSA-N 2 0 329.916 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001481752411 1096527636 /nfs/dbraw/zinc/52/76/36/1096527636.db2.gz BKGUXVYKFYKZIO-AQWUKCDYSA-N 2 0 345.531 2.611 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC2CCCCC2)CC1 ZINC001268425447 1096577453 /nfs/dbraw/zinc/57/74/53/1096577453.db2.gz FWTISNLDZYGZRJ-SFHVURJKSA-N 2 0 347.547 2.786 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001481781804 1096694000 /nfs/dbraw/zinc/69/40/00/1096694000.db2.gz ICGFSCOYKYNILE-AQWUKCDYSA-N 2 0 345.531 2.611 10 30 EFEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938543 1096968260 /nfs/dbraw/zinc/96/82/60/1096968260.db2.gz BXWNQTFFPARSAD-QAPCUYQASA-N 2 0 341.927 2.735 10 30 EFEERP C#CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@H]1C ZINC001481963263 1097004520 /nfs/dbraw/zinc/00/45/20/1097004520.db2.gz UXVKHQRVCUVHLJ-WIYYLYMNSA-N 2 0 347.547 2.929 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481990839 1097055749 /nfs/dbraw/zinc/05/57/49/1097055749.db2.gz FLIOBMLYFHPCGD-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001482032027 1097124015 /nfs/dbraw/zinc/12/40/15/1097124015.db2.gz JZYVEJLLELIHHB-WOJBJXKFSA-N 2 0 341.499 2.985 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001482034383 1097133456 /nfs/dbraw/zinc/13/34/56/1097133456.db2.gz LGHSTONUOIBFGC-UHFFFAOYSA-N 2 0 331.504 2.946 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001482035002 1097135012 /nfs/dbraw/zinc/13/50/12/1097135012.db2.gz KBRGRXZMYCPJMI-WOJBJXKFSA-N 2 0 341.499 2.536 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269085118 1097836977 /nfs/dbraw/zinc/83/69/77/1097836977.db2.gz RAVILAUEYMBGOT-SFHVURJKSA-N 2 0 326.444 2.707 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001269174435 1097918242 /nfs/dbraw/zinc/91/82/42/1097918242.db2.gz MKBQIBXISBFSDX-UYAOXDASSA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1CC ZINC001269174434 1097918511 /nfs/dbraw/zinc/91/85/11/1097918511.db2.gz MKBQIBXISBFSDX-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001269251075 1097985398 /nfs/dbraw/zinc/98/53/98/1097985398.db2.gz LFLUTDGQLGCQFO-QZTJIDSGSA-N 2 0 346.519 2.949 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001269251074 1097986084 /nfs/dbraw/zinc/98/60/84/1097986084.db2.gz LFLUTDGQLGCQFO-MSOLQXFVSA-N 2 0 346.519 2.949 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222276 1098161545 /nfs/dbraw/zinc/16/15/45/1098161545.db2.gz JZBAGXZNQBSBDF-ROUUACIJSA-N 2 0 333.520 2.988 10 30 EFEERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001269492942 1098182553 /nfs/dbraw/zinc/18/25/53/1098182553.db2.gz SEZLQBQIKHLBIQ-AEFFLSMTSA-N 2 0 349.906 2.516 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001269578792 1098259270 /nfs/dbraw/zinc/25/92/70/1098259270.db2.gz CCFQJMYNUGOKEO-RAFMOHDBSA-N 2 0 345.531 2.632 10 30 EFEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001269580748 1098265085 /nfs/dbraw/zinc/26/50/85/1098265085.db2.gz ZYQGPDREKYKPOF-IHWFROFDSA-N 2 0 345.531 2.778 10 30 EFEERP C#CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)C1CCCCCC1 ZINC001269611768 1098296793 /nfs/dbraw/zinc/29/67/93/1098296793.db2.gz QERMVDDXLCRQDS-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235502 1098315752 /nfs/dbraw/zinc/31/57/52/1098315752.db2.gz IDJDITFJTNYDAD-JKSUJKDBSA-N 2 0 341.927 2.878 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001269651075 1098331926 /nfs/dbraw/zinc/33/19/26/1098331926.db2.gz BOJDVJUMIOXHIX-NRFANRHFSA-N 2 0 347.547 2.642 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCCC)CC1 ZINC001269681859 1098360904 /nfs/dbraw/zinc/36/09/04/1098360904.db2.gz VDQMVCFOYIRLCM-BGYRXZFFSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)CC1 ZINC001269713488 1098389278 /nfs/dbraw/zinc/38/92/78/1098389278.db2.gz CPDUFMGITNOQLZ-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001269766581 1098432527 /nfs/dbraw/zinc/43/25/27/1098432527.db2.gz WZFLKGWQRIITJG-INIZCTEOSA-N 2 0 343.943 2.935 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC001482244922 1098465293 /nfs/dbraw/zinc/46/52/93/1098465293.db2.gz LXTOSDZNULYVCC-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001482246183 1098477079 /nfs/dbraw/zinc/47/70/79/1098477079.db2.gz GCENAVDFTVNUFX-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001269875325 1098493788 /nfs/dbraw/zinc/49/37/88/1098493788.db2.gz JLNPJEDAFGUOOL-MRXNPFEDSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267912782 1098603614 /nfs/dbraw/zinc/60/36/14/1098603614.db2.gz QGGALMIXVCPOHM-UHFFFAOYSA-N 2 0 339.911 2.586 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267944536 1098779449 /nfs/dbraw/zinc/77/94/49/1098779449.db2.gz BQMUGMWYONHIAU-LJQANCHMSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267948901 1098806903 /nfs/dbraw/zinc/80/69/03/1098806903.db2.gz YBSNLVQPVPCORO-FQEVSTJZSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001270249670 1098862439 /nfs/dbraw/zinc/86/24/39/1098862439.db2.gz VVMWRNZRYBMQIT-IBGZPJMESA-N 2 0 339.499 2.746 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CC(=C)C)CC1 ZINC001270321684 1098955861 /nfs/dbraw/zinc/95/58/61/1098955861.db2.gz ZENFGSLDNQVKAO-AZUAARDMSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001270346052 1098988324 /nfs/dbraw/zinc/98/83/24/1098988324.db2.gz XVASALUHHCSGQK-UHFFFAOYSA-N 2 0 335.536 2.547 10 30 EFEERP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001267974245 1099035632 /nfs/dbraw/zinc/03/56/32/1099035632.db2.gz RGQVBOZKOYUKRN-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001270411837 1099069464 /nfs/dbraw/zinc/06/94/64/1099069464.db2.gz CQKNBJXPVNNHBH-RTBURBONSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001270443377 1099094045 /nfs/dbraw/zinc/09/40/45/1099094045.db2.gz SKROWSHJFZDMQK-RTBURBONSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001481334663 1099346883 /nfs/dbraw/zinc/34/68/83/1099346883.db2.gz PBUIUGYLSSREGC-BHYGNILZSA-N 2 0 341.927 2.686 10 30 EFEERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C 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ZINC001674294471 1106167057 /nfs/dbraw/zinc/16/70/57/1106167057.db2.gz NVESRMWBHGBFMD-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001674503947 1106208228 /nfs/dbraw/zinc/20/82/28/1106208228.db2.gz BSCNKEVXGJPZBY-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001675223009 1106319062 /nfs/dbraw/zinc/31/90/62/1106319062.db2.gz XGGFOBYZQJXKMV-INIZCTEOSA-N 2 0 326.444 2.544 10 30 EFEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001675899945 1106442537 /nfs/dbraw/zinc/44/25/37/1106442537.db2.gz YTWNLGBZDLNBIL-ZWKOTPCHSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001675986107 1106461228 /nfs/dbraw/zinc/46/12/28/1106461228.db2.gz MTGIEGLJPNMPTM-HOTGVXAUSA-N 2 0 329.916 2.878 10 30 EFEERP CCCCCCC[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001676079701 1106481283 /nfs/dbraw/zinc/48/12/83/1106481283.db2.gz WSXBYCIRBWINRB-UHFFFAOYSA-N 2 0 335.536 2.975 10 30 EFEERP C#CCC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001676143686 1106491097 /nfs/dbraw/zinc/49/10/97/1106491097.db2.gz CXQJEEUDOKKZJK-PMACEKPBSA-N 2 0 341.499 2.721 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001676846717 1106602792 /nfs/dbraw/zinc/60/27/92/1106602792.db2.gz RXODBZKYEAEABF-HSALFYBXSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001677028049 1106652107 /nfs/dbraw/zinc/65/21/07/1106652107.db2.gz FZASUVRSVGOXFC-WMZOPIPTSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001677448852 1106719297 /nfs/dbraw/zinc/71/92/97/1106719297.db2.gz YXMWBUJHAAPYTF-UHFFFAOYSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(F)c1 ZINC001677648217 1106810793 /nfs/dbraw/zinc/81/07/93/1106810793.db2.gz ILNOSWYYBQEZCF-IYBDPMFKSA-N 2 0 347.478 2.980 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001483197972 1109997428 /nfs/dbraw/zinc/99/74/28/1109997428.db2.gz JQIUNRGKQJXFLG-XLIONFOSSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272669651 1112296089 /nfs/dbraw/zinc/29/60/89/1112296089.db2.gz FFKBQOKYJWQKMX-VQIMIIECSA-N 2 0 329.488 2.651 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001483800365 1112459411 /nfs/dbraw/zinc/45/94/11/1112459411.db2.gz YHIKIGZZCJVJKO-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001483798452 1112461591 /nfs/dbraw/zinc/46/15/91/1112461591.db2.gz GLRGYDXAIKNMKW-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1ccnc1 ZINC001483812119 1112479179 /nfs/dbraw/zinc/47/91/79/1112479179.db2.gz DZPRXFRXAQNMKS-MSOLQXFVSA-N 2 0 330.476 2.695 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001483816566 1112485205 /nfs/dbraw/zinc/48/52/05/1112485205.db2.gz FNQALEYQDRSIKN-IBGZPJMESA-N 2 0 335.536 2.852 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001483816515 1112485325 /nfs/dbraw/zinc/48/53/25/1112485325.db2.gz DIUOTUGSKMSQFB-PMACEKPBSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001483829263 1112489255 /nfs/dbraw/zinc/48/92/55/1112489255.db2.gz BRCPHMCSKWVKQO-IEBWSBKVSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001483832467 1112493251 /nfs/dbraw/zinc/49/32/51/1112493251.db2.gz CPNBLSXRQJDFSA-AZUAARDMSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483833614 1112494349 /nfs/dbraw/zinc/49/43/49/1112494349.db2.gz MHDQLDWLZKMTQR-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001483846867 1112507379 /nfs/dbraw/zinc/50/73/79/1112507379.db2.gz CUASOIYTZPYSFC-GHTZIAJQSA-N 2 0 347.547 2.997 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001483847036 1112508319 /nfs/dbraw/zinc/50/83/19/1112508319.db2.gz IGSYNHXAGQXSAU-UYAOXDASSA-N 2 0 335.536 2.833 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001483847027 1112508353 /nfs/dbraw/zinc/50/83/53/1112508353.db2.gz IGSYNHXAGQXSAU-AZUAARDMSA-N 2 0 335.536 2.833 10 30 EFEERP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001483849111 1112510354 /nfs/dbraw/zinc/51/03/54/1112510354.db2.gz QNQGRRFPGOUEEM-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001483988426 1112634119 /nfs/dbraw/zinc/63/41/19/1112634119.db2.gz AWUDPQLYRJWMGD-JBVUFVISSA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccc2ccccc2c1 ZINC001483992895 1112641359 /nfs/dbraw/zinc/64/13/59/1112641359.db2.gz QNBJHVFYFIZANO-DYESRHJHSA-N 2 0 349.478 2.562 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001484008156 1112657194 /nfs/dbraw/zinc/65/71/94/1112657194.db2.gz NZVBFZUIHWZGKH-PKOBYXMFSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001484021109 1112673610 /nfs/dbraw/zinc/67/36/10/1112673610.db2.gz YCTXROCCQXDNPZ-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001484175002 1112889188 /nfs/dbraw/zinc/88/91/88/1112889188.db2.gz NYMMGUYVMYXTPI-QUCCMNQESA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484175932 1112890888 /nfs/dbraw/zinc/89/08/88/1112890888.db2.gz QNUHHDJCIDYJIZ-AZUAARDMSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484551905 1113004256 /nfs/dbraw/zinc/00/42/56/1113004256.db2.gz RMVRHLABTXUMTQ-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001272684828 1113018708 /nfs/dbraw/zinc/01/87/08/1113018708.db2.gz XSJZIUZVRMFAFY-KRWDZBQOSA-N 2 0 329.488 2.653 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001484581091 1113034340 /nfs/dbraw/zinc/03/43/40/1113034340.db2.gz DAEYRUZUBPHEJW-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH+]1CCC2(CN(C(=O)CN(C)Cc3ccccc3)C2)CC1 ZINC001484581456 1113034561 /nfs/dbraw/zinc/03/45/61/1113034561.db2.gz GKGWIHSWYHCCJP-UHFFFAOYSA-N 2 0 341.499 2.619 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001484575754 1113040587 /nfs/dbraw/zinc/04/05/87/1113040587.db2.gz ZWGMDEBNJHMERV-RUCARUNLSA-N 2 0 333.520 2.559 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001484816582 1117749108 /nfs/dbraw/zinc/74/91/08/1117749108.db2.gz NDPPPQLVHGRQNB-GOSISDBHSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001484822556 1117758408 /nfs/dbraw/zinc/75/84/08/1117758408.db2.gz GSWRDMTWBPSXOE-PMACEKPBSA-N 2 0 343.515 2.836 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001484874003 1117788634 /nfs/dbraw/zinc/78/86/34/1117788634.db2.gz MNYPDQDNRNLRHU-UHFFFAOYSA-N 2 0 341.499 2.926 10 30 EFEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)cc2C1 ZINC001484875705 1117790251 /nfs/dbraw/zinc/79/02/51/1117790251.db2.gz ODRKVWJPNXXTEW-MRXNPFEDSA-N 2 0 327.472 2.536 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943296 1117869144 /nfs/dbraw/zinc/86/91/44/1117869144.db2.gz MBQJXRPXJROMPZ-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC)[C@H](C)C2)CC1 ZINC001484985787 1117911381 /nfs/dbraw/zinc/91/13/81/1117911381.db2.gz KRNIOMXOKWWTOA-UYAOXDASSA-N 2 0 347.547 2.881 10 30 EFEERP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001485034323 1117968252 /nfs/dbraw/zinc/96/82/52/1117968252.db2.gz VNUIPOJMIDOYPY-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001485084683 1118023452 /nfs/dbraw/zinc/02/34/52/1118023452.db2.gz PQHSIDWEVPSLAV-LJQANCHMSA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001485085297 1118024740 /nfs/dbraw/zinc/02/47/40/1118024740.db2.gz ZQVZJVLJUXTQHX-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001485080914 1118030016 /nfs/dbraw/zinc/03/00/16/1118030016.db2.gz XITIYWMDULMIDA-QGZVFWFLSA-N 2 0 345.487 2.681 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001485432751 1118345026 /nfs/dbraw/zinc/34/50/26/1118345026.db2.gz BWJMHXZULMDOSX-PMACEKPBSA-N 2 0 347.547 2.879 10 30 EFEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001485467051 1118377112 /nfs/dbraw/zinc/37/71/12/1118377112.db2.gz YXCFDEQRGPGYKO-HKUYNNGSSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001485669373 1118518183 /nfs/dbraw/zinc/51/81/83/1118518183.db2.gz FRIUNJZKOJXOOT-BGYRXZFFSA-N 2 0 333.520 2.609 10 30 EFEERP C=CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027077 1118657606 /nfs/dbraw/zinc/65/76/06/1118657606.db2.gz RRGGUVXNLSNAJK-BEFAXECRSA-N 2 0 339.499 2.602 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)CC2(C)C)CC1 ZINC000941238490 1118696474 /nfs/dbraw/zinc/69/64/74/1118696474.db2.gz XJCNGZRHQALPJI-IBGZPJMESA-N 2 0 347.547 2.594 10 30 EFEERP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246077490 240264160 /nfs/dbraw/zinc/26/41/60/240264160.db2.gz CWEOLDUYOLIAKZ-MSOLQXFVSA-N 2 0 342.487 2.713 10 30 EFEERP CC[NH+]=C(NCc1cc(F)cc(F)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261938905 240330170 /nfs/dbraw/zinc/33/01/70/240330170.db2.gz DCDFONLJSUMDMZ-SJKOYZFVSA-N 2 0 336.430 2.503 10 30 EFEERP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000262015785 240338927 /nfs/dbraw/zinc/33/89/27/240338927.db2.gz XRKDAMBYCSPRSR-IAGOWNOFSA-N 2 0 344.503 2.794 10 30 EFEERP C=CC[C@H]1[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCCC1(C)C ZINC000444777378 250346812 /nfs/dbraw/zinc/34/68/12/250346812.db2.gz FOOGPRVGSLALPB-GOSISDBHSA-N 2 0 333.520 2.796 10 30 EFEERP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C#N)cc1 ZINC000423518535 267193913 /nfs/dbraw/zinc/19/39/13/267193913.db2.gz ZYWMZBANKKUYLW-SOAGJPPSSA-N 2 0 326.488 2.815 10 30 EFEERP Cc1cc(NCc2cccc(NC(=O)CN(C)C)c2)c(C#N)c(C)n1 ZINC000301793551 267349089 /nfs/dbraw/zinc/34/90/89/267349089.db2.gz RVBLJHARFPZIDH-UHFFFAOYSA-N 2 0 337.427 2.682 10 30 EFEERP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000572657073 319691959 /nfs/dbraw/zinc/69/19/59/319691959.db2.gz UEOLHSWPXLOVKK-UHFFFAOYSA-N 2 0 342.409 2.502 10 30 EFEERP C[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000048783112 472909472 /nfs/dbraw/zinc/90/94/72/472909472.db2.gz VZJBJZCFGKXVMG-UHFFFAOYSA-N 2 0 334.467 2.595 10 30 EFEERP C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123318200 473126285 /nfs/dbraw/zinc/12/62/85/473126285.db2.gz HPRWNDVRQRAGPE-HZPDHXFCSA-N 2 0 325.460 2.664 10 30 EFEERP C[NH+](C)CCCC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093688473 473134045 /nfs/dbraw/zinc/13/40/45/473134045.db2.gz LDGYELFEZHSNGW-UHFFFAOYSA-N 2 0 325.460 2.760 10 30 EFEERP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292251357 474923280 /nfs/dbraw/zinc/92/32/80/474923280.db2.gz XSADPSJLMOCXKK-SCLBCKFNSA-N 2 0 346.862 2.566 10 30 EFEERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328660243 475051861 /nfs/dbraw/zinc/05/18/61/475051861.db2.gz VAIORSHELGWQPJ-GVDBMIGSSA-N 2 0 345.491 2.542 10 30 EFEERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328660865 475051924 /nfs/dbraw/zinc/05/19/24/475051924.db2.gz WCPZBWPBINALAI-IRXDYDNUSA-N 2 0 347.507 2.647 10 30 EFEERP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000352811724 475644745 /nfs/dbraw/zinc/64/47/45/475644745.db2.gz VWUPXPKHXKLDDA-IBGZPJMESA-N 2 0 327.472 2.549 10 30 EFEERP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358564042 475774728 /nfs/dbraw/zinc/77/47/28/475774728.db2.gz WOGLNRKIZWGNGJ-MRXNPFEDSA-N 2 0 332.467 2.766 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000349070350 475899851 /nfs/dbraw/zinc/89/98/51/475899851.db2.gz BYQIRSFYDDATLY-UHFFFAOYSA-N 2 0 343.515 2.711 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000349722140 475990533 /nfs/dbraw/zinc/99/05/33/475990533.db2.gz JQDRJIYNGFWNCG-OALUTQOASA-N 2 0 348.535 2.563 10 30 EFEERP C=CC[NH+]1CCC(N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422865270 476818834 /nfs/dbraw/zinc/81/88/34/476818834.db2.gz XMAKLWRDOKEDBG-WOJBJXKFSA-N 2 0 329.488 2.728 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415955368 476976269 /nfs/dbraw/zinc/97/62/69/476976269.db2.gz MUJVBJDPEQAUAL-UHFFFAOYSA-N 2 0 330.476 2.958 10 30 EFEERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000423503165 477051532 /nfs/dbraw/zinc/05/15/32/477051532.db2.gz FLIUDLMQGMSLFN-RWBZWWBESA-N 2 0 330.451 2.564 10 30 EFEERP N#Cc1ccc(CN2CCC(Nc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000516476257 477938121 /nfs/dbraw/zinc/93/81/21/477938121.db2.gz QIPMZVSSNRXYEM-UHFFFAOYSA-N 2 0 337.383 2.938 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000516861387 477998242 /nfs/dbraw/zinc/99/82/42/477998242.db2.gz ASNDGUCLNLPBIS-LTDKPHRXSA-N 2 0 328.460 2.750 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)(N2CCCCC2)CC1 ZINC000421362312 478053958 /nfs/dbraw/zinc/05/39/58/478053958.db2.gz ITPZNFZYZRUACC-UHFFFAOYSA-N 2 0 344.478 2.737 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435897 478384577 /nfs/dbraw/zinc/38/45/77/478384577.db2.gz GESNWXYAOVVPJB-MJGOQNOKSA-N 2 0 342.487 2.521 10 30 EFEERP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594437060 478387880 /nfs/dbraw/zinc/38/78/80/478387880.db2.gz HWGCDTMGPJODPJ-NVXWUHKLSA-N 2 0 330.476 2.643 10 30 EFEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441871 478391192 /nfs/dbraw/zinc/39/11/92/478391192.db2.gz XLXHXFRFKVKCSX-RTBURBONSA-N 2 0 342.487 2.521 10 30 EFEERP CN1CC[NH+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594494875 478410812 /nfs/dbraw/zinc/41/08/12/478410812.db2.gz JRRXNJWARDOBEY-UHFFFAOYSA-N 2 0 328.504 2.605 10 30 EFEERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594499947 478413886 /nfs/dbraw/zinc/41/38/86/478413886.db2.gz FUEQBTNHGRFHOB-IBGZPJMESA-N 2 0 340.515 2.746 10 30 EFEERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594501276 478414810 /nfs/dbraw/zinc/41/48/10/478414810.db2.gz YGIGUIHZAHNBSA-GOSISDBHSA-N 2 0 342.531 2.851 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600718682 478484267 /nfs/dbraw/zinc/48/42/67/478484267.db2.gz AEWQMQMQZJGBET-RBUKOAKNSA-N 2 0 327.472 2.543 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000600725372 478489411 /nfs/dbraw/zinc/48/94/11/478489411.db2.gz JHFLHYYYGMKWHB-RAFMOHDBSA-N 2 0 339.483 2.826 10 30 EFEERP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000600729699 478491766 /nfs/dbraw/zinc/49/17/66/478491766.db2.gz WWHQYKNMBROESA-YZGWKJHDSA-N 2 0 341.499 2.931 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738553 478498191 /nfs/dbraw/zinc/49/81/91/478498191.db2.gz JKOMTMHOEGFAJH-UXHICEINSA-N 2 0 341.499 2.933 10 30 EFEERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594945968 478598730 /nfs/dbraw/zinc/59/87/30/478598730.db2.gz KLVKSPNSNWBKNZ-UHFFFAOYSA-N 2 0 340.515 2.747 10 30 EFEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594963211 478608031 /nfs/dbraw/zinc/60/80/31/478608031.db2.gz HUTSXBMJFINOJN-KRWDZBQOSA-N 2 0 328.504 2.603 10 30 EFEERP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H](c2ccccc2)C1 ZINC000592376419 478873098 /nfs/dbraw/zinc/87/30/98/478873098.db2.gz KZDBKQFGMHGRGH-QUCCMNQESA-N 2 0 345.450 2.641 10 30 EFEERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)CC1(C#N)CC1 ZINC000599345753 479261422 /nfs/dbraw/zinc/26/14/22/479261422.db2.gz BEKCQYDHMCFRQE-LJQANCHMSA-N 2 0 342.487 2.675 10 30 EFEERP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599365532 479270079 /nfs/dbraw/zinc/27/00/79/479270079.db2.gz FATKXACTFPMNOW-YTQUADARSA-N 2 0 327.472 2.541 10 30 EFEERP N#CCN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000611526601 479405832 /nfs/dbraw/zinc/40/58/32/479405832.db2.gz WLNPOXRLPIEHOE-MZADTFQBSA-N 2 0 338.499 2.760 10 30 EFEERP C=CCCCCCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000577884157 479599071 /nfs/dbraw/zinc/59/90/71/479599071.db2.gz DFTALXXNVIUAMY-UHFFFAOYSA-N 2 0 336.524 2.591 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000662669032 481924517 /nfs/dbraw/zinc/92/45/17/481924517.db2.gz NECXRVTXPYNLEJ-NRFANRHFSA-N 2 0 341.499 2.987 10 30 EFEERP C=CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000662668986 481924567 /nfs/dbraw/zinc/92/45/67/481924567.db2.gz LSZBIQJDRLPAMH-OAQYLSRUSA-N 2 0 341.499 2.987 10 30 EFEERP C=CC[C@]1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000662675069 481927928 /nfs/dbraw/zinc/92/79/28/481927928.db2.gz JXTYLADMCWAQDA-HXUWFJFHSA-N 2 0 327.472 2.597 10 30 EFEERP C=CC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000662693260 481936886 /nfs/dbraw/zinc/93/68/86/481936886.db2.gz IGODDCFUUSOJPV-FQEVSTJZSA-N 2 0 327.472 2.962 10 30 EFEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696860 481938112 /nfs/dbraw/zinc/93/81/12/481938112.db2.gz XKSMCAYUNQENLB-XKGZKEIXSA-N 2 0 327.472 2.636 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662700385 481941554 /nfs/dbraw/zinc/94/15/54/481941554.db2.gz IATMKJNFSWMUAZ-PZJWPPBQSA-N 2 0 341.499 2.946 10 30 EFEERP C=CC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719083 481946301 /nfs/dbraw/zinc/94/63/01/481946301.db2.gz WKCBNMSAJDWBSG-UZLBHIALSA-N 2 0 329.488 2.930 10 30 EFEERP C=CC[C@@]1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729146 481952068 /nfs/dbraw/zinc/95/20/68/481952068.db2.gz KRSZZZLWELPHOH-CTNGQTDRSA-N 2 0 341.499 2.665 10 30 EFEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(-c2ccccn2)c1 ZINC000160784449 529100679 /nfs/dbraw/zinc/10/06/79/529100679.db2.gz JONLVCPFOPFDRE-SFHVURJKSA-N 2 0 337.471 2.637 10 30 EFEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262531490 535549319 /nfs/dbraw/zinc/54/93/19/535549319.db2.gz NUTUNYUSVXMYMV-XUJVJEKNSA-N 2 0 338.858 2.724 10 30 EFEERP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247255457 536301555 /nfs/dbraw/zinc/30/15/55/536301555.db2.gz XJDNJSXKFBUICA-UYAOXDASSA-N 2 0 326.488 2.953 10 30 EFEERP C[NH+]1CCN(c2ccc(C=[NH+]NCc3cccc(F)c3)cc2)CC1 ZINC000771551881 581222280 /nfs/dbraw/zinc/22/22/80/581222280.db2.gz WADOJZPUAOLLSP-UHFFFAOYSA-N 2 0 326.419 2.701 10 30 EFEERP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001691785225 1248735764 /nfs/dbraw/zinc/73/57/64/1248735764.db2.gz YCALUFRXYGSCIV-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001691428996 1248882306 /nfs/dbraw/zinc/88/23/06/1248882306.db2.gz SXYGYMOSKSSQPH-QRQLOZEOSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946581 1249026701 /nfs/dbraw/zinc/02/67/01/1249026701.db2.gz HKNYNXQTMHSXOF-IAGOWNOFSA-N 2 0 341.515 2.849 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001691969184 1247904437 /nfs/dbraw/zinc/90/44/37/1247904437.db2.gz VWWNMKHSNKYLCQ-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](CC)c2ccccc2)CC1 ZINC001691000666 1247917910 /nfs/dbraw/zinc/91/79/10/1247917910.db2.gz OAXIMMURTQDTJX-HXUWFJFHSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692000006 1248371696 /nfs/dbraw/zinc/37/16/96/1248371696.db2.gz XSCCOCAAGREJJY-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001691128492 1248450280 /nfs/dbraw/zinc/45/02/80/1248450280.db2.gz KNOARDVQTSQAOF-IZAXUBKRSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001692013495 1248501686 /nfs/dbraw/zinc/50/16/86/1248501686.db2.gz GMVUMOMZNBBBSQ-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691190270 1248519437 /nfs/dbraw/zinc/51/94/37/1248519437.db2.gz CRTCPGDYJSORJY-SFHVURJKSA-N 2 0 327.488 2.603 10 30 EFEERP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001692022856 1248525634 /nfs/dbraw/zinc/52/56/34/1248525634.db2.gz ISAVIERLYURFJU-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001691200485 1248526302 /nfs/dbraw/zinc/52/63/02/1248526302.db2.gz VXLBJPLHFUOBDW-VQTJNVASSA-N 2 0 343.515 2.879 10 30 EFEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691245026 1248565803 /nfs/dbraw/zinc/56/58/03/1248565803.db2.gz KXDAPCMMVRWZHN-NLWGTHIKSA-N 2 0 345.531 2.681 10 30 EFEERP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001691277222 1248588205 /nfs/dbraw/zinc/58/82/05/1248588205.db2.gz SZRYAAHMGNEMMU-GOSISDBHSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691524108 1251311094 /nfs/dbraw/zinc/31/10/94/1251311094.db2.gz YSESEQHQKGAKAV-BXWFABGCSA-N 2 0 339.499 2.650 10 30 EFEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691620108 1251836123 /nfs/dbraw/zinc/83/61/23/1251836123.db2.gz GWBJVFXWMFIFIC-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691620109 1251836901 /nfs/dbraw/zinc/83/69/01/1251836901.db2.gz GWBJVFXWMFIFIC-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691620930 1251840059 /nfs/dbraw/zinc/84/00/59/1251840059.db2.gz MJHNAVAWHQUNMT-GBESFXJTSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001484113604 1252265336 /nfs/dbraw/zinc/26/53/36/1252265336.db2.gz AVPXBDBEKLSTJQ-NRFANRHFSA-N 2 0 343.515 2.565 10 30 EFEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484121692 1252296453 /nfs/dbraw/zinc/29/64/53/1252296453.db2.gz HCYMHHSDMFPJDS-UYAOXDASSA-N 2 0 329.488 2.694 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC/C=C\CC)C2)CC1 ZINC001484126062 1252305721 /nfs/dbraw/zinc/30/57/21/1252305721.db2.gz SGXIBOBYKIROTE-IZRJCCQOSA-N 2 0 345.531 2.516 10 30 EFEERP CCCCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484354030 1252446785 /nfs/dbraw/zinc/44/67/85/1252446785.db2.gz VPEOOCDLGYQJGS-ROUUACIJSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001484371085 1252464868 /nfs/dbraw/zinc/46/48/68/1252464868.db2.gz GZBZIYQOKIFURO-ZBFHGGJFSA-N 2 0 326.444 2.517 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484368510 1252474386 /nfs/dbraw/zinc/47/43/86/1252474386.db2.gz PTWQVPZVODVNIZ-HOCLYGCPSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cnc1C)C2 ZINC001484390186 1252496671 /nfs/dbraw/zinc/49/66/71/1252496671.db2.gz JRDSSVKCJRKAIV-BJWYYQGGSA-N 2 0 330.476 2.586 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001484397580 1252521788 /nfs/dbraw/zinc/52/17/88/1252521788.db2.gz KPLCVFYSRZZECI-FHWLQOOXSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001484414995 1252553724 /nfs/dbraw/zinc/55/37/24/1252553724.db2.gz JSXNPHAVPUGIFZ-AKHDSKFASA-N 2 0 333.520 2.606 10 30 EFEERP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001484471375 1252689906 /nfs/dbraw/zinc/68/99/06/1252689906.db2.gz RMRNNJDHSPRTEI-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001484770337 1252937227 /nfs/dbraw/zinc/93/72/27/1252937227.db2.gz CKVJQMCRXVYDIQ-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001670933049 1258754084 /nfs/dbraw/zinc/75/40/84/1258754084.db2.gz OVQKSQFQRGJITP-DWBSNAHUSA-N 2 0 333.520 2.795 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001670946453 1258881843 /nfs/dbraw/zinc/88/18/43/1258881843.db2.gz JIOOHVINKVWTCT-XVLXNVKGSA-N 2 0 333.520 2.939 10 30 EFEERP C#CCC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001670977189 1259262292 /nfs/dbraw/zinc/26/22/92/1259262292.db2.gz MSJQXZWNQKEEGZ-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001670988996 1259346103 /nfs/dbraw/zinc/34/61/03/1259346103.db2.gz DMVLXBDPMPWOKG-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001486094271 1262617036 /nfs/dbraw/zinc/61/70/36/1262617036.db2.gz YDKZHURYUXLEBX-VQIMIIECSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001486205096 1262791003 /nfs/dbraw/zinc/79/10/03/1262791003.db2.gz ALJGNHBISDJNOF-ZWKOTPCHSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001486205092 1262791247 /nfs/dbraw/zinc/79/12/47/1262791247.db2.gz ALJGNHBISDJNOF-QZTJIDSGSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486222630 1262828370 /nfs/dbraw/zinc/82/83/70/1262828370.db2.gz YUKGTPJIPCBJKA-QFBILLFUSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001486399176 1262997407 /nfs/dbraw/zinc/99/74/07/1262997407.db2.gz IYPJWESCFGLAGU-ZNMIVQPWSA-N 2 0 329.916 2.590 10 30 EFEERP C=CCC[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001486491298 1263235992 /nfs/dbraw/zinc/23/59/92/1263235992.db2.gz QIJRHCNGHPLCHX-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c(F)c1 ZINC001486524305 1263327388 /nfs/dbraw/zinc/32/73/88/1263327388.db2.gz XPDYHIQOKVVWKR-PKOBYXMFSA-N 2 0 347.478 2.838 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)c(F)c1 ZINC001486525531 1263331407 /nfs/dbraw/zinc/33/14/07/1263331407.db2.gz NGYPWTYQAJOBHL-PKOBYXMFSA-N 2 0 345.462 2.734 10 30 EFEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001493021148 1269863109 /nfs/dbraw/zinc/86/31/09/1269863109.db2.gz AGSVDCNEBWGRTK-GOSISDBHSA-N 2 0 327.488 2.603 10 30 EFEERP CCC[NH+]1CCN(c2ccccc2C=[NH+]OC[C@H]2CCOC2)CC1 ZINC000788030555 1276010457 /nfs/dbraw/zinc/01/04/57/1276010457.db2.gz ORJQPTTYFFZHBL-KRWDZBQOSA-N 2 0 331.460 2.606 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085313 1281424027 /nfs/dbraw/zinc/42/40/27/1281424027.db2.gz OFQQMARERNFCIM-CTNGQTDRSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552956 1281478507 /nfs/dbraw/zinc/47/85/07/1281478507.db2.gz IKJBFBAQOXHCPW-MSOLQXFVSA-N 2 0 329.488 2.616 10 30 EFEERP C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC001175768217 1287546368 /nfs/dbraw/zinc/54/63/68/1287546368.db2.gz KZYXJOIQIUZZOK-QGZVFWFLSA-N 2 0 336.439 2.933 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903458706 1312712668 /nfs/dbraw/zinc/71/26/68/1312712668.db2.gz HOJQYCLAOAOXKF-WOJBJXKFSA-N 2 0 327.472 2.893 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903458705 1312713044 /nfs/dbraw/zinc/71/30/44/1312713044.db2.gz HOJQYCLAOAOXKF-VQTJNVASSA-N 2 0 327.472 2.893 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903460406 1312715686 /nfs/dbraw/zinc/71/56/86/1312715686.db2.gz ATEIIECNBZVQJF-NSHGMRRFSA-N 2 0 327.472 2.893 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000876555241 1290940834 /nfs/dbraw/zinc/94/08/34/1290940834.db2.gz QXAXXCQYQVGFCJ-HNNXBMFYSA-N 2 0 327.900 2.761 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000876716941 1290989486 /nfs/dbraw/zinc/98/94/86/1290989486.db2.gz RIUWIQGTYCFZNH-INIZCTEOSA-N 2 0 339.867 2.816 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000876738545 1290996637 /nfs/dbraw/zinc/99/66/37/1290996637.db2.gz GNAAEZUBDIAGBS-OAHLLOKOSA-N 2 0 341.908 2.546 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000876742572 1291000870 /nfs/dbraw/zinc/00/08/70/1291000870.db2.gz UXLIVPCSIKRTKU-DLBZAZTESA-N 2 0 335.879 2.718 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000876752356 1291005334 /nfs/dbraw/zinc/00/53/34/1291005334.db2.gz MQOMVDYTSKWQQA-HZPDHXFCSA-N 2 0 327.900 2.571 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000876754231 1291007618 /nfs/dbraw/zinc/00/76/18/1291007618.db2.gz DAHCHPABWYRIQI-RHSMWYFYSA-N 2 0 335.879 2.798 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877443539 1291236419 /nfs/dbraw/zinc/23/64/19/1291236419.db2.gz FUUATQBDRRYEQQ-BPUTZDHNSA-N 2 0 327.900 2.603 10 30 EFEERP C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000883186468 1293498426 /nfs/dbraw/zinc/49/84/26/1293498426.db2.gz SNRALFGGWGXBHB-OALUTQOASA-N 2 0 331.504 2.626 10 30 EFEERP C=CCC[C@H](COc1ccccc1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000883186469 1293498895 /nfs/dbraw/zinc/49/88/95/1293498895.db2.gz SNRALFGGWGXBHB-RBUKOAKNSA-N 2 0 331.504 2.626 10 30 EFEERP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCCO1 ZINC000883216907 1293509523 /nfs/dbraw/zinc/50/95/23/1293509523.db2.gz XTUHRNJBQLKXHH-QHAWAJNXSA-N 2 0 344.499 2.857 10 30 EFEERP C=CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCO1 ZINC000883233440 1293515939 /nfs/dbraw/zinc/51/59/39/1293515939.db2.gz IYTHPEUNLQDGII-WOJBJXKFSA-N 2 0 336.520 2.981 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000884131625 1294002138 /nfs/dbraw/zinc/00/21/38/1294002138.db2.gz QPGUXSISCWQZBC-UHFFFAOYSA-N 2 0 348.535 2.687 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001276447049 1313098358 /nfs/dbraw/zinc/09/83/58/1313098358.db2.gz CWMLKKOVXQQSID-SJORKVTESA-N 2 0 335.536 2.898 10 30 EFEERP C#CCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001198084256 1294868401 /nfs/dbraw/zinc/86/84/01/1294868401.db2.gz GBQSCDHVZXQYDK-IBGZPJMESA-N 2 0 341.499 2.721 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001273762982 1294945079 /nfs/dbraw/zinc/94/50/79/1294945079.db2.gz LSTOYIYQAPOCOY-UHFFFAOYSA-N 2 0 347.528 2.807 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001273795237 1295815030 /nfs/dbraw/zinc/81/50/30/1295815030.db2.gz BEJSBYOBXCCVMV-IBGZPJMESA-N 2 0 341.499 2.673 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001274344704 1296070928 /nfs/dbraw/zinc/07/09/28/1296070928.db2.gz DKEOKBQZRMYXJM-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001274885972 1296201840 /nfs/dbraw/zinc/20/18/40/1296201840.db2.gz VYTMMRYUSGTSRU-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001489200054 1298113230 /nfs/dbraw/zinc/11/32/30/1298113230.db2.gz PRIILGFNIKWIMS-QRVBRYPASA-N 2 0 347.547 2.996 10 30 EFEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001489241368 1298151782 /nfs/dbraw/zinc/15/17/82/1298151782.db2.gz CGSCDNPWIZYGDJ-HXUWFJFHSA-N 2 0 341.499 2.746 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001490758769 1299198813 /nfs/dbraw/zinc/19/88/13/1299198813.db2.gz MEIHEQCCTBBHQF-OAHLLOKOSA-N 2 0 335.517 2.780 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490797531 1299366378 /nfs/dbraw/zinc/36/63/78/1299366378.db2.gz ATEDLVDBXWEDBN-AKHDSKFASA-N 2 0 331.504 2.645 10 30 EFEERP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852858178 1299915243 /nfs/dbraw/zinc/91/52/43/1299915243.db2.gz SKNIGFZRKINEBO-KRWDZBQOSA-N 2 0 339.483 2.860 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001278151245 1313714390 /nfs/dbraw/zinc/71/43/90/1313714390.db2.gz LFDXAJRCORFGBA-FQEVSTJZSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001278177051 1313746087 /nfs/dbraw/zinc/74/60/87/1313746087.db2.gz HLGDBVHIQSXWQF-VOTSOKGWSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001278188377 1313760962 /nfs/dbraw/zinc/76/09/62/1313760962.db2.gz ODAIPBDXYCTAMU-SFHVURJKSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CC2CCCC2)CC1 ZINC001278194748 1313770219 /nfs/dbraw/zinc/77/02/19/1313770219.db2.gz SXKUKXZHEAZWTC-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC001278207329 1313789305 /nfs/dbraw/zinc/78/93/05/1313789305.db2.gz PSJAYBJMWGNWNI-HXUWFJFHSA-N 2 0 349.478 2.562 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001278206979 1313789422 /nfs/dbraw/zinc/78/94/22/1313789422.db2.gz NDZHAWIHIAPNGD-IBGZPJMESA-N 2 0 325.456 2.724 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001278258958 1313848121 /nfs/dbraw/zinc/84/81/21/1313848121.db2.gz IXFABOYFVXZGOI-GOSISDBHSA-N 2 0 335.536 2.949 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866617437 1303711969 /nfs/dbraw/zinc/71/19/69/1303711969.db2.gz JMFJGDQRCGTSSI-DQLDELGASA-N 2 0 341.499 2.752 10 30 EFEERP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000868284118 1304225272 /nfs/dbraw/zinc/22/52/72/1304225272.db2.gz PQFIFICZCXPWDT-LJQANCHMSA-N 2 0 348.535 2.733 10 30 EFEERP C=CC[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870019584 1305087657 /nfs/dbraw/zinc/08/76/57/1305087657.db2.gz JOWCNEIIIBEATN-VAMGGRTRSA-N 2 0 343.515 2.544 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000900007418 1307594166 /nfs/dbraw/zinc/59/41/66/1307594166.db2.gz NCTNFBXDIBTJTR-UHFFFAOYSA-N 2 0 349.906 2.929 10 30 EFEERP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900377735 1308100025 /nfs/dbraw/zinc/10/00/25/1308100025.db2.gz CSDMFJKDYWZYCJ-UHFFFAOYSA-N 2 0 341.459 2.598 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000900738555 1308610666 /nfs/dbraw/zinc/61/06/66/1308610666.db2.gz QZXSHUAFSFGYOF-UHFFFAOYSA-N 2 0 339.867 2.727 10 30 EFEERP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001276689439 1314386154 /nfs/dbraw/zinc/38/61/54/1314386154.db2.gz DAJDKATXWRNQSP-NNZMDNLPSA-N 2 0 333.520 2.510 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491180603 1311169352 /nfs/dbraw/zinc/16/93/52/1311169352.db2.gz UDOJTQQQXJGFQA-UYAOXDASSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001276840598 1311187519 /nfs/dbraw/zinc/18/75/19/1311187519.db2.gz QMVWIBJUZQKOEX-RCCFBDPRSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001276842237 1311189420 /nfs/dbraw/zinc/18/94/20/1311189420.db2.gz ZMBRCMUMTHHCQK-SLFFLAALSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001276879349 1311240856 /nfs/dbraw/zinc/24/08/56/1311240856.db2.gz ZQVBESGXBLLRQM-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001284737507 1320501475 /nfs/dbraw/zinc/50/14/75/1320501475.db2.gz MLONINNLMSGEJT-GJZGRUSLSA-N 2 0 349.441 2.663 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001284737669 1320501595 /nfs/dbraw/zinc/50/15/95/1320501595.db2.gz MLONINNLMSGEJT-LSDHHAIUSA-N 2 0 349.441 2.663 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001277274499 1311905105 /nfs/dbraw/zinc/90/51/05/1311905105.db2.gz MHYUIIWEAZLJGV-FQEVSTJZSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001277275251 1311905605 /nfs/dbraw/zinc/90/56/05/1311905605.db2.gz PCQJEOPOSADFSR-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001277279884 1311915256 /nfs/dbraw/zinc/91/52/56/1311915256.db2.gz KEPNOLCKTCAULR-IEBWSBKVSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285836 1311920024 /nfs/dbraw/zinc/92/00/24/1311920024.db2.gz QYIXRDOFGYDOPM-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001277298334 1311945017 /nfs/dbraw/zinc/94/50/17/1311945017.db2.gz CPDPZJQMGKVMNW-SXLOBPIMSA-N 2 0 343.515 2.782 10 30 EFEERP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001277308589 1311960781 /nfs/dbraw/zinc/96/07/81/1311960781.db2.gz KEDVMYRKNVBEGO-HQSKLWIPSA-N 2 0 339.499 2.744 10 30 EFEERP C=CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902740474 1312067094 /nfs/dbraw/zinc/06/70/94/1312067094.db2.gz VEBRSVDCPWXPBT-ICSRJNTNSA-N 2 0 337.552 2.896 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)C2CCCCCC2)CC1 ZINC001277383022 1312087186 /nfs/dbraw/zinc/08/71/86/1312087186.db2.gz WKGOOXQSIGKBMD-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001277388594 1312098034 /nfs/dbraw/zinc/09/80/34/1312098034.db2.gz QBBMTTXAANGQIR-QZTJIDSGSA-N 2 0 342.487 2.792 10 30 EFEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001277398223 1312112416 /nfs/dbraw/zinc/11/24/16/1312112416.db2.gz GLGNJNLOVHATDV-HXUWFJFHSA-N 2 0 345.531 2.587 10 30 EFEERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902821081 1312132278 /nfs/dbraw/zinc/13/22/78/1312132278.db2.gz HEOIAWNTGXWDSV-QGZVFWFLSA-N 2 0 341.503 2.554 10 30 EFEERP C=CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@]1(C)CCCCO1 ZINC000902833243 1312141877 /nfs/dbraw/zinc/14/18/77/1312141877.db2.gz YNIYEMZXOZQQJW-WOJBJXKFSA-N 2 0 337.552 2.896 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001277430214 1312158294 /nfs/dbraw/zinc/15/82/94/1312158294.db2.gz ZRUMOTQFPIJRNR-RTBURBONSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001277441089 1312175230 /nfs/dbraw/zinc/17/52/30/1312175230.db2.gz KAHWBQYRLUOZJJ-PKOBYXMFSA-N 2 0 335.536 2.996 10 30 EFEERP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(C#N)ccn1 ZINC000903049771 1312310735 /nfs/dbraw/zinc/31/07/35/1312310735.db2.gz GMIZBWZIURQZDT-MRXNPFEDSA-N 2 0 335.455 2.911 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001277525574 1312512204 /nfs/dbraw/zinc/51/22/04/1312512204.db2.gz SLJQISRPJFYBJM-LJQANCHMSA-N 2 0 331.504 2.505 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001277537854 1312527790 /nfs/dbraw/zinc/52/77/90/1312527790.db2.gz NOUGSDVEBICEPG-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001277547054 1312542207 /nfs/dbraw/zinc/54/22/07/1312542207.db2.gz CTNMVBHTPXVNTC-IHPCNDPISA-N 2 0 341.499 2.577 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001277609876 1312621466 /nfs/dbraw/zinc/62/14/66/1312621466.db2.gz IMAJHBKTHJITHK-VQIMIIECSA-N 2 0 333.520 2.891 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001278449769 1314633052 /nfs/dbraw/zinc/63/30/52/1314633052.db2.gz ILOMXLQGNXQSPL-WIYYLYMNSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001278451121 1314636542 /nfs/dbraw/zinc/63/65/42/1314636542.db2.gz HCJWQLNJAIBHMZ-JENIJYKNSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001278566260 1315206674 /nfs/dbraw/zinc/20/66/74/1315206674.db2.gz VVYZPHMPVOJNJD-GDBMZVCRSA-N 2 0 335.517 2.874 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001278626717 1315315258 /nfs/dbraw/zinc/31/52/58/1315315258.db2.gz HKWLFOXDBPVEPW-UHFFFAOYSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)CC1(C)C ZINC001278668656 1315456019 /nfs/dbraw/zinc/45/60/19/1315456019.db2.gz ZPMARUDLBOBEEP-SJLPKXTDSA-N 2 0 344.503 2.547 10 30 EFEERP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278682037 1315504167 /nfs/dbraw/zinc/50/41/67/1315504167.db2.gz QIPRDDBCJWASJP-HXUWFJFHSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001278686755 1315527735 /nfs/dbraw/zinc/52/77/35/1315527735.db2.gz NAOKTEUOOIBQQD-OAQYLSRUSA-N 2 0 347.547 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C2)CC1 ZINC001278690165 1315545373 /nfs/dbraw/zinc/54/53/73/1315545373.db2.gz OYBCHBAABMENPO-SFHVURJKSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)c2c(C)cc(C)nc2C)CCOCC1 ZINC001278714532 1315593203 /nfs/dbraw/zinc/59/32/03/1315593203.db2.gz BLYNDANQVGMULM-UHFFFAOYSA-N 2 0 345.487 2.842 10 30 EFEERP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278747763 1315650979 /nfs/dbraw/zinc/65/09/79/1315650979.db2.gz SZFJYHFIAMRVKW-OAHLLOKOSA-N 2 0 343.462 2.510 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001281056137 1316197659 /nfs/dbraw/zinc/19/76/59/1316197659.db2.gz SWGMIPKCKJZRQO-VQTJNVASSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001263957299 1316575347 /nfs/dbraw/zinc/57/53/47/1316575347.db2.gz BRRWUWRXKSTPHB-HOCLYGCPSA-N 2 0 329.916 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CCCCCC2)CC1 ZINC001318607575 1328651192 /nfs/dbraw/zinc/65/11/92/1328651192.db2.gz PZSDIAOOSZARFC-HXUWFJFHSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001264390657 1316611258 /nfs/dbraw/zinc/61/12/58/1316611258.db2.gz CBSUWOFSGMLVRF-KURKYZTESA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001264492487 1316619845 /nfs/dbraw/zinc/61/98/45/1316619845.db2.gz SNYDXFDBRCQPIU-IPMKNSEASA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001264497443 1316620752 /nfs/dbraw/zinc/62/07/52/1316620752.db2.gz VTWYGSCSLKXHSI-IBGZPJMESA-N 2 0 345.531 2.589 10 30 EFEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001264561617 1316632080 /nfs/dbraw/zinc/63/20/80/1316632080.db2.gz UMQFDJSNQDXPLD-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001264574089 1316633420 /nfs/dbraw/zinc/63/34/20/1316633420.db2.gz GQDDSAXZVDPHTF-YZGWKJHDSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@@H]21 ZINC001264585599 1316635631 /nfs/dbraw/zinc/63/56/31/1316635631.db2.gz DONNHQKDUGRFLQ-KZNAEPCWSA-N 2 0 347.547 2.900 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001264585598 1316635769 /nfs/dbraw/zinc/63/57/69/1316635769.db2.gz DONNHQKDUGRFLQ-KURKYZTESA-N 2 0 347.547 2.900 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001264594036 1316638710 /nfs/dbraw/zinc/63/87/10/1316638710.db2.gz DEMMLAPEPMPSDC-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001281087850 1316675482 /nfs/dbraw/zinc/67/54/82/1316675482.db2.gz NWGKLENZAQOQOE-IBGZPJMESA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001281087939 1316680899 /nfs/dbraw/zinc/68/08/99/1316680899.db2.gz OQKQDDLQHRWJJY-IEBWSBKVSA-N 2 0 339.499 2.557 10 30 EFEERP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001265333809 1316784798 /nfs/dbraw/zinc/78/47/98/1316784798.db2.gz DRDGCGHQWGKQAD-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265390265 1316794992 /nfs/dbraw/zinc/79/49/92/1316794992.db2.gz ASZQRVYPBUVTSJ-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001265390522 1316795669 /nfs/dbraw/zinc/79/56/69/1316795669.db2.gz GYGWQZZXSWDDPR-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265394526 1316797719 /nfs/dbraw/zinc/79/77/19/1316797719.db2.gz DCXDODUQQYBGRZ-ZWKOTPCHSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265436225 1316805391 /nfs/dbraw/zinc/80/53/91/1316805391.db2.gz BUYGATCKPQTNKM-ZBFHGGJFSA-N 2 0 326.444 2.802 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265522639 1316818755 /nfs/dbraw/zinc/81/87/55/1316818755.db2.gz ACLNCSFKKXOKFB-ZWKOTPCHSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001318665443 1328664105 /nfs/dbraw/zinc/66/41/05/1328664105.db2.gz ZKPPDAJNRLYROJ-ZWKOTPCHSA-N 2 0 333.520 2.988 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001265693162 1316856017 /nfs/dbraw/zinc/85/60/17/1316856017.db2.gz FGAZKFDWQRZUPP-QGZVFWFLSA-N 2 0 345.487 2.729 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001265727165 1316867502 /nfs/dbraw/zinc/86/75/02/1316867502.db2.gz RMZMMDAUSBBXQH-ZSXDVEMLSA-N 2 0 333.520 2.508 10 30 EFEERP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001265736529 1316868849 /nfs/dbraw/zinc/86/88/49/1316868849.db2.gz YSKHYKUIJRQEBO-FAFZWHIHSA-N 2 0 333.520 2.987 10 30 EFEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001265743247 1316870331 /nfs/dbraw/zinc/87/03/31/1316870331.db2.gz HCYQKSLNFMYHRW-SOAGJPPSSA-N 2 0 341.499 2.720 10 30 EFEERP C#CCC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001265743246 1316870339 /nfs/dbraw/zinc/87/03/39/1316870339.db2.gz HCYQKSLNFMYHRW-MHJFOBGBSA-N 2 0 341.499 2.720 10 30 EFEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001266000368 1316945338 /nfs/dbraw/zinc/94/53/38/1316945338.db2.gz AYZBWNQIXGOLNS-BEFAXECRSA-N 2 0 338.455 2.639 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001266011576 1316951705 /nfs/dbraw/zinc/95/17/05/1316951705.db2.gz YCIWLDVFMYOYMZ-RTBURBONSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001266085250 1317011805 /nfs/dbraw/zinc/01/18/05/1317011805.db2.gz YVWBLGSIMIMITN-GOSISDBHSA-N 2 0 349.906 2.672 10 30 EFEERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001266182242 1317128819 /nfs/dbraw/zinc/12/88/19/1317128819.db2.gz DINFPOAIPYJPJL-CRAIPNDOSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001279182832 1317205289 /nfs/dbraw/zinc/20/52/89/1317205289.db2.gz YPXXPIKHBDBWKH-LSDHHAIUSA-N 2 0 349.441 2.662 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001279182831 1317205627 /nfs/dbraw/zinc/20/56/27/1317205627.db2.gz YPXXPIKHBDBWKH-HUUCEWRRSA-N 2 0 349.441 2.662 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001279273329 1317222319 /nfs/dbraw/zinc/22/23/19/1317222319.db2.gz PRGQGUHDLKGBDP-IYARVYRRSA-N 2 0 335.536 2.807 10 30 EFEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001279415997 1317260123 /nfs/dbraw/zinc/26/01/23/1317260123.db2.gz HPMJAMZWXSNEHK-ZCNNSNEGSA-N 2 0 347.547 2.853 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280162044 1317466664 /nfs/dbraw/zinc/46/66/64/1317466664.db2.gz CJASGTQQQYTFKT-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001280394798 1317541577 /nfs/dbraw/zinc/54/15/77/1317541577.db2.gz ZDADIBSQDHCXSZ-SFHVURJKSA-N 2 0 335.536 2.833 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001318805427 1328706368 /nfs/dbraw/zinc/70/63/68/1328706368.db2.gz NVTORHVESXAIOS-INIZCTEOSA-N 2 0 326.444 2.661 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001318805860 1328707613 /nfs/dbraw/zinc/70/76/13/1328707613.db2.gz SMMHRWNSSFVVEY-GBESFXJTSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890217 1317882983 /nfs/dbraw/zinc/88/29/83/1317882983.db2.gz VNZJZTPPKJOLFQ-WOJBJXKFSA-N 2 0 345.531 2.589 10 30 EFEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001281030814 1317981551 /nfs/dbraw/zinc/98/15/51/1317981551.db2.gz AUQARZOMJIJMTN-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001281072166 1318006458 /nfs/dbraw/zinc/00/64/58/1318006458.db2.gz NGHMRZLZSAVHPZ-HXUWFJFHSA-N 2 0 341.499 2.592 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001281554286 1318445065 /nfs/dbraw/zinc/44/50/65/1318445065.db2.gz AZSFCJKMCJWFBN-DOTOQJQBSA-N 2 0 332.492 2.914 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001319030257 1328766656 /nfs/dbraw/zinc/76/66/56/1328766656.db2.gz VDKCRRSUEMWAER-UHFFFAOYSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281775881 1318576776 /nfs/dbraw/zinc/57/67/76/1318576776.db2.gz FTUVDJOGAGQREE-PXNSSMCTSA-N 2 0 341.499 2.620 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001281887540 1318614031 /nfs/dbraw/zinc/61/40/31/1318614031.db2.gz ILCYXPMXONACDT-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001281939574 1318630573 /nfs/dbraw/zinc/63/05/73/1318630573.db2.gz IZLDWRYKOKLPOR-UXHICEINSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001281942294 1318635009 /nfs/dbraw/zinc/63/50/09/1318635009.db2.gz PKQSRAJPJZMGCC-GOSISDBHSA-N 2 0 333.520 2.586 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001281975172 1318643638 /nfs/dbraw/zinc/64/36/38/1318643638.db2.gz LFZNIDOLGSUZIK-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001282065661 1318699055 /nfs/dbraw/zinc/69/90/55/1318699055.db2.gz BJYYUVZHKDQCSY-LRYGQEGESA-N 2 0 335.536 2.946 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001282567097 1319000215 /nfs/dbraw/zinc/00/02/15/1319000215.db2.gz GBRTXFYRCBUFME-RBUKOAKNSA-N 2 0 335.536 2.737 10 30 EFEERP C=C(C)C[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001282812688 1319141763 /nfs/dbraw/zinc/14/17/63/1319141763.db2.gz PMTBWXFDMWIFRA-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282833496 1319151226 /nfs/dbraw/zinc/15/12/26/1319151226.db2.gz LCWIBAVXLIDAOT-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001283334417 1319568468 /nfs/dbraw/zinc/56/84/68/1319568468.db2.gz JDSYHAZJNLWONK-UHFFFAOYSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001283722603 1319998251 /nfs/dbraw/zinc/99/82/51/1319998251.db2.gz LKAZFJBJGFNGDE-QZTJIDSGSA-N 2 0 341.499 2.529 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC=C)[C@H]2C)CC1 ZINC001283937678 1320103398 /nfs/dbraw/zinc/10/33/98/1320103398.db2.gz DFSGINYOTVSYPJ-UYAOXDASSA-N 2 0 345.531 2.657 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242098 1320283067 /nfs/dbraw/zinc/28/30/67/1320283067.db2.gz DMYCVKFIEOLADE-UYAOXDASSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001284723205 1320492772 /nfs/dbraw/zinc/49/27/72/1320492772.db2.gz IIPYAZMNCHADKY-IRXDYDNUSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001319652240 1328938540 /nfs/dbraw/zinc/93/85/40/1328938540.db2.gz WANINFXVKLYICU-WOJBJXKFSA-N 2 0 347.547 2.949 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC001319657667 1328940404 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HYOZFJRNJVKVTF-FXAWDEMLSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001319867558 1329021762 /nfs/dbraw/zinc/02/17/62/1329021762.db2.gz FUXNCEXWALCLSC-XLIONFOSSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)CC[C@@H]21 ZINC001320112813 1329084302 /nfs/dbraw/zinc/08/43/02/1329084302.db2.gz WAAOFAMZSUKQGC-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001320184581 1329102381 /nfs/dbraw/zinc/10/23/81/1329102381.db2.gz PVYQKLFLXYXOLD-RTBURBONSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001491943220 1324058465 /nfs/dbraw/zinc/05/84/65/1324058465.db2.gz OLZNLRGBQYDWKD-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001491944503 1324061032 /nfs/dbraw/zinc/06/10/32/1324061032.db2.gz WKHHNHSOXKRDRF-UXHICEINSA-N 2 0 345.531 2.730 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001492171885 1324309239 /nfs/dbraw/zinc/30/92/39/1324309239.db2.gz SFRQBEREJUDEER-RTBURBONSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001316775207 1325129174 /nfs/dbraw/zinc/12/91/74/1325129174.db2.gz YMXNOPUETYCANL-MOPGFXCFSA-N 2 0 333.520 2.633 10 30 EFEERP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001316811717 1325163973 /nfs/dbraw/zinc/16/39/73/1325163973.db2.gz ORWDDNVFIAZBGD-MSOLQXFVSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCC[NH+]1CCC(N(C)C(=O)CN(C)Cc2ccccc2)CC1 ZINC001316938578 1325389072 /nfs/dbraw/zinc/38/90/72/1325389072.db2.gz VKQPJTDZPDASRL-UHFFFAOYSA-N 2 0 329.488 2.617 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317037514 1325503210 /nfs/dbraw/zinc/50/32/10/1325503210.db2.gz UQAQXJPILFNUDY-PKOBYXMFSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317040374 1325509056 /nfs/dbraw/zinc/50/90/56/1325509056.db2.gz CVXBNDFDSKASKG-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317100189 1325566564 /nfs/dbraw/zinc/56/65/64/1325566564.db2.gz OAOYHJXFHMSMSY-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321248251 1329362980 /nfs/dbraw/zinc/36/29/80/1329362980.db2.gz ACHTZWBCRZITCF-KJYTYGLYSA-N 2 0 339.499 2.816 10 30 EFEERP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317144144 1327637687 /nfs/dbraw/zinc/63/76/87/1327637687.db2.gz QQUFTSJGDBHIQZ-IEBWSBKVSA-N 2 0 329.488 2.694 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317188782 1327708168 /nfs/dbraw/zinc/70/81/68/1327708168.db2.gz MASYGMGJXHHPFG-LJQANCHMSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317203407 1327732972 /nfs/dbraw/zinc/73/29/72/1327732972.db2.gz LCCWETKYSMOISM-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC001317219957 1327765733 /nfs/dbraw/zinc/76/57/33/1327765733.db2.gz CUCTURFPHPYQNM-AOCRQIFASA-N 2 0 344.503 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001317221396 1327766503 /nfs/dbraw/zinc/76/65/03/1327766503.db2.gz IZCHTENBKOOWJW-UHFFFAOYSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317340814 1327870449 /nfs/dbraw/zinc/87/04/49/1327870449.db2.gz WSIUGXIKNHZWBE-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317375903 1327921100 /nfs/dbraw/zinc/92/11/00/1327921100.db2.gz MMPGMYROBCWEJS-MSOLQXFVSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317375906 1327922590 /nfs/dbraw/zinc/92/25/90/1327922590.db2.gz MMPGMYROBCWEJS-QZTJIDSGSA-N 2 0 333.520 2.892 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317436611 1328024693 /nfs/dbraw/zinc/02/46/93/1328024693.db2.gz ZCGCEKKTOGRLCX-CVEARBPZSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317531689 1328117447 /nfs/dbraw/zinc/11/74/47/1328117447.db2.gz BXSMOVNAMFGYRY-PKOBYXMFSA-N 2 0 329.488 2.694 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)c1ccccc1 ZINC001317727775 1328337641 /nfs/dbraw/zinc/33/76/41/1328337641.db2.gz XQOUJKQVBTVMEC-LEWJYISDSA-N 2 0 349.478 2.760 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001317770742 1328366998 /nfs/dbraw/zinc/36/69/98/1328366998.db2.gz ATIOLEDHWRWJNM-HXUWFJFHSA-N 2 0 345.531 2.611 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317835035 1328405353 /nfs/dbraw/zinc/40/53/53/1328405353.db2.gz BNUFHUUUFAIGFE-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848631 1328415706 /nfs/dbraw/zinc/41/57/06/1328415706.db2.gz OMSGTEONOGITTA-AZUAARDMSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243883 1329440496 /nfs/dbraw/zinc/44/04/96/1329440496.db2.gz JEHNOCPFRAPBHV-YJBOKZPZSA-N 2 0 327.488 2.602 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001323020479 1329505642 /nfs/dbraw/zinc/50/56/42/1329505642.db2.gz ASYDSZQUSMKIPW-GOSISDBHSA-N 2 0 326.444 2.707 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001323540452 1329550315 /nfs/dbraw/zinc/55/03/15/1329550315.db2.gz CUHBCNZVAGSJHP-KXBFYZLASA-N 2 0 339.499 2.792 10 30 EFEERP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001323637356 1329556889 /nfs/dbraw/zinc/55/68/89/1329556889.db2.gz KXBIOARYMHODOE-PMACEKPBSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001323643014 1329558329 /nfs/dbraw/zinc/55/83/29/1329558329.db2.gz OSROERJPIYFXJS-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001323645075 1329558432 /nfs/dbraw/zinc/55/84/32/1329558432.db2.gz XKGPNNDGGODQCH-WOJBJXKFSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001323644742 1329558729 /nfs/dbraw/zinc/55/87/29/1329558729.db2.gz WNVYLIOHVJMLJQ-PMACEKPBSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001323736055 1329566477 /nfs/dbraw/zinc/56/64/77/1329566477.db2.gz IVVLHHQSZCNLPJ-GOSISDBHSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001323804065 1329572416 /nfs/dbraw/zinc/57/24/16/1329572416.db2.gz RLGSNNYIIHDKLB-QKNQBKEWSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323816054 1329574634 /nfs/dbraw/zinc/57/46/34/1329574634.db2.gz LQHVOUGEYLBZJM-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001323860832 1329580835 /nfs/dbraw/zinc/58/08/35/1329580835.db2.gz WXZSFPQCQKJIMR-NRFANRHFSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001324225023 1329609230 /nfs/dbraw/zinc/60/92/30/1329609230.db2.gz GJLOJCGDTJWESY-LPHOPBHVSA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001324226444 1329609771 /nfs/dbraw/zinc/60/97/71/1329609771.db2.gz RZIOJHNKQOBBAY-IBGZPJMESA-N 2 0 329.488 2.561 10 30 EFEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001324332780 1329617571 /nfs/dbraw/zinc/61/75/71/1329617571.db2.gz CAQVXZDYTRDTET-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001324395332 1329623390 /nfs/dbraw/zinc/62/33/90/1329623390.db2.gz ABDXYXATJUXDJD-GOSISDBHSA-N 2 0 335.536 2.689 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CCC)CC1 ZINC001324407132 1329624281 /nfs/dbraw/zinc/62/42/81/1329624281.db2.gz GEOAZDBVMNIKMF-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001324482089 1329632074 /nfs/dbraw/zinc/63/20/74/1329632074.db2.gz JISDUWPMJCLKQL-SFHVURJKSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001324504712 1329634159 /nfs/dbraw/zinc/63/41/59/1329634159.db2.gz DNWVIRTVMISNPR-HXUWFJFHSA-N 2 0 341.499 2.650 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001325599573 1329700119 /nfs/dbraw/zinc/70/01/19/1329700119.db2.gz UHLVASNLNJSCSO-RBUKOAKNSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001325778397 1329712638 /nfs/dbraw/zinc/71/26/38/1329712638.db2.gz HFIZDOTYJAXSEI-SLFFLAALSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001325918986 1329724327 /nfs/dbraw/zinc/72/43/27/1329724327.db2.gz FZWSTGYXWTVNHB-ZWKOTPCHSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001327307908 1330456762 /nfs/dbraw/zinc/45/67/62/1330456762.db2.gz HCTVJHMFWMJAOE-OALUTQOASA-N 2 0 344.503 2.942 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327498558 1330488121 /nfs/dbraw/zinc/48/81/21/1330488121.db2.gz BPFFVECHMDOXLS-HXUWFJFHSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530845 1330495945 /nfs/dbraw/zinc/49/59/45/1330495945.db2.gz QADTXQDJASJXEN-NQIIRXRSSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001327531810 1330496250 /nfs/dbraw/zinc/49/62/50/1330496250.db2.gz UPQNTACRESHFBT-FQEVSTJZSA-N 2 0 333.520 2.751 10 30 EFEERP C#CCC[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001327684379 1330508570 /nfs/dbraw/zinc/50/85/70/1330508570.db2.gz CTWVEIPGFLTATG-FQEVSTJZSA-N 2 0 339.483 2.516 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnc2C)C(C)(C)C1 ZINC001328099348 1330555766 /nfs/dbraw/zinc/55/57/66/1330555766.db2.gz UHKXLKIKRUDFAF-QGZVFWFLSA-N 2 0 332.492 2.765 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001328467339 1330594388 /nfs/dbraw/zinc/59/43/88/1330594388.db2.gz DECQVRWBXVTTPD-UXHICEINSA-N 2 0 343.515 2.864 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001328573288 1330604104 /nfs/dbraw/zinc/60/41/04/1330604104.db2.gz DJAUGACEUBHWBA-IEBWSBKVSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001328588517 1330605579 /nfs/dbraw/zinc/60/55/79/1330605579.db2.gz WLPBVGMELHEVNP-HXUWFJFHSA-N 2 0 347.547 2.833 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001328588337 1330605792 /nfs/dbraw/zinc/60/57/92/1330605792.db2.gz CTSXHDKDZOZRTQ-UXHICEINSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812990 1330637551 /nfs/dbraw/zinc/63/75/51/1330637551.db2.gz TVCMZBGTAYEXEW-UXHICEINSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001328870064 1330642031 /nfs/dbraw/zinc/64/20/31/1330642031.db2.gz ZDAYLSVYOOQOIP-FAFZWHIHSA-N 2 0 333.520 2.844 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203470 1330680494 /nfs/dbraw/zinc/68/04/94/1330680494.db2.gz SXPKKQXDVCADOV-CVEARBPZSA-N 2 0 349.906 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CC=C(C)C)CC2)CC1 ZINC001329256498 1330686697 /nfs/dbraw/zinc/68/66/97/1330686697.db2.gz HHTCICDFTNFRDS-UHFFFAOYSA-N 2 0 345.531 2.657 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001331175884 1330801933 /nfs/dbraw/zinc/80/19/33/1330801933.db2.gz DPGYHCMPHCSGKS-VQTJNVASSA-N 2 0 341.499 2.720 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001331507880 1330845831 /nfs/dbraw/zinc/84/58/31/1330845831.db2.gz YASQGYZZPHELQH-HOTGVXAUSA-N 2 0 341.459 2.672 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001331927562 1330892006 /nfs/dbraw/zinc/89/20/06/1330892006.db2.gz YSSISSMPOMXEMW-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001332118291 1330923690 /nfs/dbraw/zinc/92/36/90/1330923690.db2.gz NRDVNFDMJAFJQY-WSTZPKSXSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001332118288 1330924097 /nfs/dbraw/zinc/92/40/97/1330924097.db2.gz NRDVNFDMJAFJQY-QWFCFKBJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001332146635 1330928387 /nfs/dbraw/zinc/92/83/87/1330928387.db2.gz NLTYIRPGUFOCRI-GBESFXJTSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001332325673 1330958184 /nfs/dbraw/zinc/95/81/84/1330958184.db2.gz YVQBOOZDYGRJBF-ICSRJNTNSA-N 2 0 347.547 2.949 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001332325678 1330958309 /nfs/dbraw/zinc/95/83/09/1330958309.db2.gz YVQBOOZDYGRJBF-UYAOXDASSA-N 2 0 347.547 2.949 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001332424716 1330970659 /nfs/dbraw/zinc/97/06/59/1330970659.db2.gz UYPALISRTKFPPB-BEFAXECRSA-N 2 0 339.499 2.602 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001332460985 1330974970 /nfs/dbraw/zinc/97/49/70/1330974970.db2.gz WCFBTTGYSWIXIG-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC001332859666 1331032253 /nfs/dbraw/zinc/03/22/53/1331032253.db2.gz ZAFZARKAMUZLEE-DNVCBOLYSA-N 2 0 341.515 2.896 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001332876701 1331034389 /nfs/dbraw/zinc/03/43/89/1331034389.db2.gz SONFUEJRMZUIHS-SFHVURJKSA-N 2 0 329.488 2.506 10 30 EFEERP C=C(C)C[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001333377363 1331128572 /nfs/dbraw/zinc/12/85/72/1331128572.db2.gz HJYCPGCHDXSPDM-UHFFFAOYSA-N 2 0 333.520 2.823 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)c(F)c1 ZINC001333479340 1331153033 /nfs/dbraw/zinc/15/30/33/1331153033.db2.gz IWJBSJLJKGAWLN-UHFFFAOYSA-N 2 0 347.478 2.840 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001366469315 1337612638 /nfs/dbraw/zinc/61/26/38/1337612638.db2.gz GAXQCWWQBFKWKR-GDBMZVCRSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001366515391 1337656223 /nfs/dbraw/zinc/65/62/23/1337656223.db2.gz YAYWLERJCVKJMH-HOTGVXAUSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001366515392 1337656613 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AWOBQNCOQJZOQA-HZPDHXFCSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001401274998 1362619796 /nfs/dbraw/zinc/61/97/96/1362619796.db2.gz YVOWHTSOACYXAA-HZPDHXFCSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001402319001 1363603559 /nfs/dbraw/zinc/60/35/59/1363603559.db2.gz UGIBUQFAVFANNM-IRXDYDNUSA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001403466661 1364669526 /nfs/dbraw/zinc/66/95/26/1364669526.db2.gz ZLXMPKUVYXDFOZ-ULQDDVLXSA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001403603657 1364808058 /nfs/dbraw/zinc/80/80/58/1364808058.db2.gz AGMBPPKKXORRFQ-WBVHZDCISA-N 2 0 337.895 2.868 10 30 EFEERP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001404617077 1365718614 /nfs/dbraw/zinc/71/86/14/1365718614.db2.gz JQGONRYUGYXXFX-KRWDZBQOSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001405945060 1366984238 /nfs/dbraw/zinc/98/42/38/1366984238.db2.gz FMQJMFHVVMAYOW-YOEHRIQHSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001417812198 1373283337 /nfs/dbraw/zinc/28/33/37/1373283337.db2.gz IRYUGHAIPPKWND-BBWFWOEESA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001417814152 1373286157 /nfs/dbraw/zinc/28/61/57/1373286157.db2.gz QBCVEMIKFQKNBF-INIZCTEOSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418022174 1373534790 /nfs/dbraw/zinc/53/47/90/1373534790.db2.gz RPAUGOFZJFTZLS-IAGOWNOFSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001418732633 1374434326 /nfs/dbraw/zinc/43/43/26/1374434326.db2.gz ISLMJUPNDXQKSE-HYVNUMGLSA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001419714619 1375759094 /nfs/dbraw/zinc/75/90/94/1375759094.db2.gz BBRWDWDATXICNF-RDJZCZTQSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001419769073 1375845046 /nfs/dbraw/zinc/84/50/46/1375845046.db2.gz QANKZVWVEOPQQS-HOTGVXAUSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001419769083 1375845467 /nfs/dbraw/zinc/84/54/67/1375845467.db2.gz QANKZVWVEOPQQS-JKSUJKDBSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001421003266 1378006038 /nfs/dbraw/zinc/00/60/38/1378006038.db2.gz BQOYWAQNTALTAY-QGZVFWFLSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001421003261 1378006660 /nfs/dbraw/zinc/00/66/60/1378006660.db2.gz BQOYWAQNTALTAY-KRWDZBQOSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119500 1379639619 /nfs/dbraw/zinc/63/96/19/1379639619.db2.gz KRIMAXREWFJDAB-HOTGVXAUSA-N 2 0 329.916 2.591 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001423170417 1381496373 /nfs/dbraw/zinc/49/63/73/1381496373.db2.gz LUJGGPBPRXILPN-HOTGVXAUSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001423486468 1381979009 /nfs/dbraw/zinc/97/90/09/1381979009.db2.gz RFZOAXFUUWILMB-WMLDXEAASA-N 2 0 345.890 2.532 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001438828108 1388844606 /nfs/dbraw/zinc/84/46/06/1388844606.db2.gz LVCCOBGEYAGLBY-YOEHRIQHSA-N 2 0 347.906 2.682 10 30 EFEERP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001506863868 1406368664 /nfs/dbraw/zinc/36/86/64/1406368664.db2.gz AIDMJAUOZOFQAN-UHFFFAOYSA-N 2 0 341.499 2.619 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001440132884 1389404119 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/nfs/dbraw/zinc/98/10/91/1389981091.db2.gz OFOUWJKQUZABFG-MRXNPFEDSA-N 2 0 343.943 2.934 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441617011 1391387412 /nfs/dbraw/zinc/38/74/12/1391387412.db2.gz IXTBBWDQWHMTEG-DLBZAZTESA-N 2 0 341.927 2.688 10 30 EFEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507021946 1406602695 /nfs/dbraw/zinc/60/26/95/1406602695.db2.gz JAHFYTKMNZJYDJ-OALUTQOASA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460888033 1396267562 /nfs/dbraw/zinc/26/75/62/1396267562.db2.gz YFWAHXXOIHUYOH-OALUTQOASA-N 2 0 329.488 2.836 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479246304 1397637977 /nfs/dbraw/zinc/63/79/77/1397637977.db2.gz MQNWGYVFCMCIFX-VQIMIIECSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001507336943 1406904395 /nfs/dbraw/zinc/90/43/95/1406904395.db2.gz BFTSWNDVLVVEHA-HOTGVXAUSA-N 2 0 333.476 2.890 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001479301233 1397672708 /nfs/dbraw/zinc/67/27/08/1397672708.db2.gz YSYDBPDTRAJUGM-ZIFCJYIRSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479425703 1397722634 /nfs/dbraw/zinc/72/26/34/1397722634.db2.gz SNHKMJVRYHKDNL-XUVXKRRUSA-N 2 0 343.515 2.733 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]C[C@H](C)CC)C2)CC1 ZINC001479695786 1397767233 /nfs/dbraw/zinc/76/72/33/1397767233.db2.gz OQNPTQLAUSCANO-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001479745609 1397802157 /nfs/dbraw/zinc/80/21/57/1397802157.db2.gz NQCLTFBFXLSZIS-ZWKOTPCHSA-N 2 0 335.536 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CCCC=C)CC1 ZINC001479835328 1397930324 /nfs/dbraw/zinc/93/03/24/1397930324.db2.gz VSAJGLHPYUFDLK-AZUAARDMSA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001479981244 1398067502 /nfs/dbraw/zinc/06/75/02/1398067502.db2.gz NLFMDAZHAFPJCF-RCCFBDPRSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479988385 1398072998 /nfs/dbraw/zinc/07/29/98/1398072998.db2.gz PAILSVHKTPWWNF-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189837 1398159040 /nfs/dbraw/zinc/15/90/40/1398159040.db2.gz SVHDHTQCQXBEPF-PMACEKPBSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001507354551 1406940314 /nfs/dbraw/zinc/94/03/14/1406940314.db2.gz CCGXYICBQCEXQA-NZSAHSFTSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001493877442 1398944562 /nfs/dbraw/zinc/94/45/62/1398944562.db2.gz AEORUQNBACVWDT-PMACEKPBSA-N 2 0 341.499 2.532 10 30 EFEERP 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ZINC001495381044 1399927007 /nfs/dbraw/zinc/92/70/07/1399927007.db2.gz RGWYSSCGUAQLLV-JKSUJKDBSA-N 2 0 329.916 2.543 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001495417436 1399962981 /nfs/dbraw/zinc/96/29/81/1399962981.db2.gz BDCMIXAKJCCGHC-MOPGFXCFSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001495417438 1399963087 /nfs/dbraw/zinc/96/30/87/1399963087.db2.gz BDCMIXAKJCCGHC-OALUTQOASA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001495428805 1399972701 /nfs/dbraw/zinc/97/27/01/1399972701.db2.gz OGGSAGDHIGUUSI-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001495438444 1399980334 /nfs/dbraw/zinc/98/03/34/1399980334.db2.gz XJCJPZFXKWOKNZ-LJQANCHMSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001495464092 1400002203 /nfs/dbraw/zinc/00/22/03/1400002203.db2.gz DWWWXAOKJGZNEF-BJLQDIEVSA-N 2 0 345.531 2.824 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001495509434 1400042021 /nfs/dbraw/zinc/04/20/21/1400042021.db2.gz QAEMWJCQXKHWQQ-LJQANCHMSA-N 2 0 329.488 2.843 10 30 EFEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001495521876 1400053138 /nfs/dbraw/zinc/05/31/38/1400053138.db2.gz ZTZCUYSZLYMMTP-IAGOWNOFSA-N 2 0 330.476 2.698 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001495560001 1400082679 /nfs/dbraw/zinc/08/26/79/1400082679.db2.gz MMWLAJBMJFFWAL-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495742930 1400217854 /nfs/dbraw/zinc/21/78/54/1400217854.db2.gz LDJNZCXWGQMJOG-YJBOKZPZSA-N 2 0 327.488 2.507 10 30 EFEERP C=CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001496504893 1400780792 /nfs/dbraw/zinc/78/07/92/1400780792.db2.gz LYOJHAVEBYEIET-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001496866801 1401062403 /nfs/dbraw/zinc/06/24/03/1401062403.db2.gz JAOXCWCQILQADB-MOPGFXCFSA-N 2 0 347.547 2.975 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001496924758 1401104985 /nfs/dbraw/zinc/10/49/85/1401104985.db2.gz RHYNPGRRPZVCDS-OALUTQOASA-N 2 0 329.488 2.569 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CN(C)Cc1ccccc1 ZINC001496924755 1401105225 /nfs/dbraw/zinc/10/52/25/1401105225.db2.gz RHYNPGRRPZVCDS-MOPGFXCFSA-N 2 0 329.488 2.569 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498489954 1402142219 /nfs/dbraw/zinc/14/22/19/1402142219.db2.gz LRMCTGUOROZOGP-AZUAARDMSA-N 2 0 347.547 2.929 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)CC1 ZINC001508039100 1407257702 /nfs/dbraw/zinc/25/77/02/1407257702.db2.gz YDIYYAPSEQQSRF-GOSISDBHSA-N 2 0 349.563 2.888 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C 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0 347.547 2.691 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC001500059626 1402917372 /nfs/dbraw/zinc/91/73/72/1402917372.db2.gz FTLBDUWLYSURNY-NRFANRHFSA-N 2 0 349.478 2.706 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106495 1402939732 /nfs/dbraw/zinc/93/97/32/1402939732.db2.gz GMKGENVNNIHYOD-XIRDDKMYSA-N 2 0 341.927 2.734 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001500131450 1402949827 /nfs/dbraw/zinc/94/98/27/1402949827.db2.gz ODLBBHUTAKFDJQ-UXHICEINSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500371852 1403080452 /nfs/dbraw/zinc/08/04/52/1403080452.db2.gz CDRIXXWJZXZYML-QUCCMNQESA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001500439424 1403123642 /nfs/dbraw/zinc/12/36/42/1403123642.db2.gz NQNVSYGKYCNMQE-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCCCC)C2)CC1 ZINC001500552787 1403217396 /nfs/dbraw/zinc/21/73/96/1403217396.db2.gz LTRIZXNKHGZOLP-NRFANRHFSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)Cc3[nH]cnc3C)CC2)CC1 ZINC001508161792 1407322484 /nfs/dbraw/zinc/32/24/84/1407322484.db2.gz HBWUXPYNGNZIQB-OAHLLOKOSA-N 2 0 344.503 2.976 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001508161657 1407323031 /nfs/dbraw/zinc/32/30/31/1407323031.db2.gz DWOLQTDBPYONKT-CALCHBBNSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1CC ZINC001501022835 1403410636 /nfs/dbraw/zinc/41/06/36/1403410636.db2.gz RZHASEJRVBWKBI-VQIMIIECSA-N 2 0 329.488 2.524 10 30 EFEERP C=CCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001501083269 1403433424 /nfs/dbraw/zinc/43/34/24/1403433424.db2.gz GMTCQWGLORSYRB-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001501129387 1403451159 /nfs/dbraw/zinc/45/11/59/1403451159.db2.gz GMGIOIPPBIHKAH-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001501130612 1403452187 /nfs/dbraw/zinc/45/21/87/1403452187.db2.gz ZKUJYMGNGSPUPD-ROUUACIJSA-N 2 0 335.536 2.759 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001501130611 1403452354 /nfs/dbraw/zinc/45/23/54/1403452354.db2.gz ZKUJYMGNGSPUPD-MSOLQXFVSA-N 2 0 335.536 2.759 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001501586885 1403637108 /nfs/dbraw/zinc/63/71/08/1403637108.db2.gz NKXHTKGLHFATQE-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001501651254 1403668376 /nfs/dbraw/zinc/66/83/76/1403668376.db2.gz MVOQNVLAEDQOHZ-MOPGFXCFSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001501668724 1403690203 /nfs/dbraw/zinc/69/02/03/1403690203.db2.gz LDBPIZTWXLXBTQ-KRWDZBQOSA-N 2 0 329.488 2.653 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001501678913 1403710448 /nfs/dbraw/zinc/71/04/48/1403710448.db2.gz IECYCZJGFOBDEP-INIZCTEOSA-N 2 0 329.488 2.565 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCc2ccc([C@H](C)[NH2+]CCC)cc2)CC1 ZINC001501681424 1403713997 /nfs/dbraw/zinc/71/39/97/1403713997.db2.gz ITTKJYPVGWXEAT-KRWDZBQOSA-N 2 0 341.499 2.709 10 30 EFEERP C=C(C)C[NH+]1CC=C(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001508216290 1407354438 /nfs/dbraw/zinc/35/44/38/1407354438.db2.gz SXQNBICRMJQOPS-UHFFFAOYSA-N 2 0 333.520 2.964 10 30 EFEERP C=CCC[NH+]1CC=C(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001508220206 1407357707 /nfs/dbraw/zinc/35/77/07/1407357707.db2.gz RNOSAMJCCLDXPK-LJQANCHMSA-N 2 0 337.483 2.523 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001501961649 1403907683 /nfs/dbraw/zinc/90/76/83/1403907683.db2.gz FMMDCALVMPZIDT-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001502000017 1403939671 /nfs/dbraw/zinc/93/96/71/1403939671.db2.gz QOISJLFYNVKJPE-IBGZPJMESA-N 2 0 339.499 2.794 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001502124453 1404016902 /nfs/dbraw/zinc/01/69/02/1404016902.db2.gz RRHQZEWBGUBRDF-IRXDYDNUSA-N 2 0 327.488 2.603 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406013 1404147669 /nfs/dbraw/zinc/14/76/69/1404147669.db2.gz GURYGIJIFUHFQG-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001502519104 1404215524 /nfs/dbraw/zinc/21/55/24/1404215524.db2.gz FWMKJQIHBULPRS-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001502548510 1404239940 /nfs/dbraw/zinc/23/99/40/1404239940.db2.gz VLASPBKQCZDMCO-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001502831263 1404383312 /nfs/dbraw/zinc/38/33/12/1404383312.db2.gz YKLNFIKDCASXIT-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001505398531 1404552559 /nfs/dbraw/zinc/55/25/59/1404552559.db2.gz LVIASHZHDWIMDP-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001505466229 1404693776 /nfs/dbraw/zinc/69/37/76/1404693776.db2.gz VBKHKKZNVLNXCS-QGZVFWFLSA-N 2 0 345.487 2.681 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001505472612 1404707592 /nfs/dbraw/zinc/70/75/92/1404707592.db2.gz IYPINNRDZRTAAK-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001505475216 1404711493 /nfs/dbraw/zinc/71/14/93/1404711493.db2.gz INAIJZHIZFTKDV-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001505518892 1404738801 /nfs/dbraw/zinc/73/88/01/1404738801.db2.gz ZPVKFAMFIJPHII-UHFFFAOYSA-N 2 0 349.906 2.641 10 30 EFEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505833550 1405123410 /nfs/dbraw/zinc/12/34/10/1405123410.db2.gz KXVKGMYGJHXDRD-LJQANCHMSA-N 2 0 341.515 2.849 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001505850019 1405140419 /nfs/dbraw/zinc/14/04/19/1405140419.db2.gz INNCRVFYILZMAU-GOSISDBHSA-N 2 0 335.536 2.594 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001506576231 1405993262 /nfs/dbraw/zinc/99/32/62/1405993262.db2.gz RLIXAZFKVVSDBA-RBUKOAKNSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C[NH+](C)C)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001556424807 1415068514 /nfs/dbraw/zinc/06/85/14/1415068514.db2.gz FRMXTMLJALIIME-UHFFFAOYSA-N 2 0 344.503 2.521 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001565855918 1415435310 /nfs/dbraw/zinc/43/53/10/1415435310.db2.gz BIJNRAYGVKIACX-IZAXUBKRSA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001565882862 1415442803 /nfs/dbraw/zinc/44/28/03/1415442803.db2.gz OWAXZQWCAPAWOO-SLFFLAALSA-N 2 0 341.499 2.631 10 30 EFEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001565894615 1415445123 /nfs/dbraw/zinc/44/51/23/1415445123.db2.gz MBAQFBHBXBXQIV-IPMKNSEASA-N 2 0 345.531 2.539 10 30 EFEERP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001565943990 1415461327 /nfs/dbraw/zinc/46/13/27/1415461327.db2.gz XZGYCVRKYTZMJX-PMACEKPBSA-N 2 0 347.547 2.883 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001565943992 1415461542 /nfs/dbraw/zinc/46/15/42/1415461542.db2.gz XZGYCVRKYTZMJX-VQTJNVASSA-N 2 0 347.547 2.883 10 30 EFEERP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C(C)(C)[C@H]21 ZINC001565995008 1415475030 /nfs/dbraw/zinc/47/50/30/1415475030.db2.gz NCWHZJPRKJLUBD-RLLQIKCJSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001565994803 1415475121 /nfs/dbraw/zinc/47/51/21/1415475121.db2.gz KLPOLZDETNHKKG-NEWSRXKRSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C(C)(C)[C@@H]21 ZINC001565995007 1415475177 /nfs/dbraw/zinc/47/51/77/1415475177.db2.gz NCWHZJPRKJLUBD-MISYRCLQSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001566002384 1415479740 /nfs/dbraw/zinc/47/97/40/1415479740.db2.gz ZASNLCABKHVBCC-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001566054481 1415494329 /nfs/dbraw/zinc/49/43/29/1415494329.db2.gz CAVUCETYRRGUBB-QYZOEREBSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+]([C@@H](C)CCC=C)CC2)CC1 ZINC001566615093 1415696413 /nfs/dbraw/zinc/69/64/13/1415696413.db2.gz ICVOPNRAADQJHM-SFHVURJKSA-N 2 0 345.531 2.609 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001566674640 1415726028 /nfs/dbraw/zinc/72/60/28/1415726028.db2.gz XMGKAYBSSJCEPT-PXNSSMCTSA-N 2 0 343.515 2.950 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001566699695 1415738675 /nfs/dbraw/zinc/73/86/75/1415738675.db2.gz JKKMJBANGXHWSI-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001566699694 1415738895 /nfs/dbraw/zinc/73/88/95/1415738895.db2.gz JKKMJBANGXHWSI-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566913519 1415840499 /nfs/dbraw/zinc/84/04/99/1415840499.db2.gz RHDDPDPWXQMJAU-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001566972954 1415883196 /nfs/dbraw/zinc/88/31/96/1415883196.db2.gz CDHDGKYXRSANOY-SLHNCBLASA-N 2 0 345.531 2.796 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001567081879 1415928094 /nfs/dbraw/zinc/92/80/94/1415928094.db2.gz CZGVALJVDNSMAW-YLJYHZDGSA-N 2 0 341.499 2.577 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC/C=C\CCC)C2)CC1 ZINC001567154759 1415956075 /nfs/dbraw/zinc/95/60/75/1415956075.db2.gz INNZEFDQOKSVCI-LIXSYLKWSA-N 2 0 345.531 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2C[C@H](C)CC)CC1 ZINC001567266843 1416047055 /nfs/dbraw/zinc/04/70/55/1416047055.db2.gz OASHUZFJCHXJSW-QUCCMNQESA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661490 1416235721 /nfs/dbraw/zinc/23/57/21/1416235721.db2.gz ZPSLPRJVEMWJGI-RBUKOAKNSA-N 2 0 329.488 2.740 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661491 1416235878 /nfs/dbraw/zinc/23/58/78/1416235878.db2.gz ZPSLPRJVEMWJGI-RTBURBONSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001567683586 1416245958 /nfs/dbraw/zinc/24/59/58/1416245958.db2.gz XYRLXQOCEQMZRC-OALUTQOASA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001567703518 1416255528 /nfs/dbraw/zinc/25/55/28/1416255528.db2.gz VKZZHTZWGMRURX-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567715499 1416259181 /nfs/dbraw/zinc/25/91/81/1416259181.db2.gz KZRICKBHTIAFAT-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001567744070 1416268701 /nfs/dbraw/zinc/26/87/01/1416268701.db2.gz CXPVRVAETJYUGN-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567940602 1416335478 /nfs/dbraw/zinc/33/54/78/1416335478.db2.gz JLZAJINKWVQLGM-IBGZPJMESA-N 2 0 333.520 2.587 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCC(C)(C)CC1 ZINC001567966060 1416345679 /nfs/dbraw/zinc/34/56/79/1416345679.db2.gz PYLMMNIGFVACDK-MOPGFXCFSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001568043740 1416373865 /nfs/dbraw/zinc/37/38/65/1416373865.db2.gz OORSNKAFSDDRRN-PXNSSMCTSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001568061918 1416386714 /nfs/dbraw/zinc/38/67/14/1416386714.db2.gz QZYDCEUIAKWDII-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001568120548 1416417327 /nfs/dbraw/zinc/41/73/27/1416417327.db2.gz XYWLXABRMXQFEC-LPHOPBHVSA-N 2 0 329.488 2.699 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001568121449 1416417926 /nfs/dbraw/zinc/41/79/26/1416417926.db2.gz ACUAREWQVIXTHR-NRFANRHFSA-N 2 0 341.499 2.845 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001568131923 1416422032 /nfs/dbraw/zinc/42/20/32/1416422032.db2.gz AUNBBISYRYUTSJ-IBGZPJMESA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300235 1416470165 /nfs/dbraw/zinc/47/01/65/1416470165.db2.gz NCXNWWZSLLLCCC-YJBOKZPZSA-N 2 0 327.488 2.602 10 30 EFEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001568339175 1416481809 /nfs/dbraw/zinc/48/18/09/1416481809.db2.gz PCZNCKHLGMHCHC-OALUTQOASA-N 2 0 335.536 2.641 10 30 EFEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001568406752 1416518327 /nfs/dbraw/zinc/51/83/27/1416518327.db2.gz LKUVEBFMXAHKID-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001568409182 1416519880 /nfs/dbraw/zinc/51/98/80/1416519880.db2.gz JVCCJUJLARYZQR-IEBWSBKVSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001689936085 1417099774 /nfs/dbraw/zinc/09/97/74/1417099774.db2.gz CVVMLALRVFXEGJ-KRWDZBQOSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001690009427 1417129713 /nfs/dbraw/zinc/12/97/13/1417129713.db2.gz VXQDMCYEWXBZMA-OALUTQOASA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690254257 1417179246 /nfs/dbraw/zinc/17/92/46/1417179246.db2.gz UPHMYLAGSGAMIC-LPHOPBHVSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001690393873 1417208648 /nfs/dbraw/zinc/20/86/48/1417208648.db2.gz NVEVNRNRYPHCGQ-MOPGFXCFSA-N 2 0 345.531 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393874 1417209438 /nfs/dbraw/zinc/20/94/38/1417209438.db2.gz NVEVNRNRYPHCGQ-OALUTQOASA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690409981 1417211330 /nfs/dbraw/zinc/21/13/30/1417211330.db2.gz XOSBFILGWGVRJK-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001690418610 1417213871 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0 327.472 2.595 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001699688681 1417453082 /nfs/dbraw/zinc/45/30/82/1417453082.db2.gz IAQZFYUDMWWXPY-ROUUACIJSA-N 2 0 345.531 2.586 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001699875897 1417492386 /nfs/dbraw/zinc/49/23/86/1417492386.db2.gz WZOGDWARUSIZLX-ICSRJNTNSA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001700100595 1417570029 /nfs/dbraw/zinc/57/00/29/1417570029.db2.gz WBLUQPUCSGECFU-MRXNPFEDSA-N 2 0 329.488 2.871 10 30 EFEERP C=CCC[NH2+][C@H](CCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001700712396 1417626518 /nfs/dbraw/zinc/62/65/18/1417626518.db2.gz FGEGKHFUXVYCJN-GOSISDBHSA-N 2 0 328.460 2.953 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001700898750 1417684057 /nfs/dbraw/zinc/68/40/57/1417684057.db2.gz PHKGFXGALXYDPL-MSOLQXFVSA-N 2 0 333.520 2.703 10 30 EFEERP C=C(C)CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189562 1418228182 /nfs/dbraw/zinc/22/81/82/1418228182.db2.gz ULFHWNTVFQTSSW-QRQLOZEOSA-N 2 0 335.536 2.898 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713144594 1418336080 /nfs/dbraw/zinc/33/60/80/1418336080.db2.gz UZEGCQDHYWPVDL-CADBVGFASA-N 2 0 333.520 2.748 10 30 EFEERP C#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCCCC ZINC001713271295 1418438498 /nfs/dbraw/zinc/43/84/98/1418438498.db2.gz IEKVVEBKZWPXGR-VQTJNVASSA-N 2 0 347.547 2.977 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278473 1418448233 /nfs/dbraw/zinc/44/82/33/1418448233.db2.gz SHNVBPSLLVMQAF-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713282951 1418452383 /nfs/dbraw/zinc/45/23/83/1418452383.db2.gz QFJYWFQWVSIWCF-ZWJWXYIHSA-N 2 0 333.520 2.652 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713283892 1418452924 /nfs/dbraw/zinc/45/29/24/1418452924.db2.gz VZBAHYSWHHWCNX-OMZCGLGVSA-N 2 0 347.547 2.898 10 30 EFEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001713385271 1418499438 /nfs/dbraw/zinc/49/94/38/1418499438.db2.gz WDULSXVHNRUAMW-CRAIPNDOSA-N 2 0 349.906 2.528 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001713430139 1418524582 /nfs/dbraw/zinc/52/45/82/1418524582.db2.gz BDWKMDKHIJCRSD-RBUKOAKNSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714291283 1418595134 /nfs/dbraw/zinc/59/51/34/1418595134.db2.gz PULATMQUONHAHK-LJQANCHMSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715858807 1418690254 /nfs/dbraw/zinc/69/02/54/1418690254.db2.gz DAEKSBZYXMRPDG-FUTAKVPZSA-N 2 0 339.911 2.798 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001716704594 1418963466 /nfs/dbraw/zinc/96/34/66/1418963466.db2.gz XMFPMFBXTAUGEM-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001716725002 1418975678 /nfs/dbraw/zinc/97/56/78/1418975678.db2.gz QLLVBYTWMYRMJB-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001716734928 1418984182 /nfs/dbraw/zinc/98/41/82/1418984182.db2.gz GDSLPSROUXIULK-TZIWHRDSSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(CC)CC)C[C@@H]2C)CC1 ZINC001716768803 1418999515 /nfs/dbraw/zinc/99/95/15/1418999515.db2.gz GFRSHBKBJRNLPE-PXNSSMCTSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001716784323 1419007065 /nfs/dbraw/zinc/00/70/65/1419007065.db2.gz QZOPMRJIVQIKRH-LPHOPBHVSA-N 2 0 339.499 2.746 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC/C=C/CC)CC1 ZINC001716806022 1419020249 /nfs/dbraw/zinc/02/02/49/1419020249.db2.gz JXYKZDGDQIHRCO-PORCLINASA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC2CCCCC2)CC1 ZINC001716811035 1419024483 /nfs/dbraw/zinc/02/44/83/1419024483.db2.gz LHIFMOCMJQCBLF-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001716811663 1419024565 /nfs/dbraw/zinc/02/45/65/1419024565.db2.gz IATAJHJNEQJRFV-OALUTQOASA-N 2 0 347.547 2.832 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001716895739 1419083254 /nfs/dbraw/zinc/08/32/54/1419083254.db2.gz MEHYIWGQNZFYNZ-IBGZPJMESA-N 2 0 347.528 2.665 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC/C=C/CC)C2)CC1 ZINC001716974959 1419119062 /nfs/dbraw/zinc/11/90/62/1419119062.db2.gz HKQUEFBJADEZKV-GGVAOPBYSA-N 2 0 345.531 2.515 10 30 EFEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001716999577 1419135849 /nfs/dbraw/zinc/13/58/49/1419135849.db2.gz JVWXWZRXWCZWGI-YSTOQKLRSA-N 2 0 345.531 2.633 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717002448 1419138112 /nfs/dbraw/zinc/13/81/12/1419138112.db2.gz ULABHOOFQYEZLM-WTGUMLROSA-N 2 0 345.531 2.539 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717004263 1419139677 /nfs/dbraw/zinc/13/96/77/1419139677.db2.gz DJZYEIRLZBKXLY-GUDVDZBRSA-N 2 0 335.536 2.805 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001717006848 1419143178 /nfs/dbraw/zinc/14/31/78/1419143178.db2.gz GNNPNAYRYHRNSM-SFHVURJKSA-N 2 0 329.488 2.523 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001717006847 1419143425 /nfs/dbraw/zinc/14/34/25/1419143425.db2.gz GNNPNAYRYHRNSM-GOSISDBHSA-N 2 0 329.488 2.523 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001717013954 1419148702 /nfs/dbraw/zinc/14/87/02/1419148702.db2.gz YRPJXMQHXKVVLU-YSIASYRMSA-N 2 0 347.547 2.852 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717089071 1419199592 /nfs/dbraw/zinc/19/95/92/1419199592.db2.gz JDFGXDPMTMHJKD-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001717101279 1419208974 /nfs/dbraw/zinc/20/89/74/1419208974.db2.gz IZWXYNOHRDJRKC-IAGOWNOFSA-N 2 0 341.927 2.830 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115866 1419219697 /nfs/dbraw/zinc/21/96/97/1419219697.db2.gz PIVJJIZTQMWBRA-XLIONFOSSA-N 2 0 341.499 2.709 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001717122336 1419224365 /nfs/dbraw/zinc/22/43/65/1419224365.db2.gz AGILBNXEXWZCJX-FCGDIQPGSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001717122375 1419224494 /nfs/dbraw/zinc/22/44/94/1419224494.db2.gz BZZVIZIAGLSMPO-FHWLQOOXSA-N 2 0 333.520 2.539 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001717124284 1419225484 /nfs/dbraw/zinc/22/54/84/1419225484.db2.gz BTNWTMHQRXKVSL-IRJFHVNHSA-N 2 0 341.499 2.650 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001717128755 1419227974 /nfs/dbraw/zinc/22/79/74/1419227974.db2.gz LSEDIDJBRFYFHS-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001717149960 1419238832 /nfs/dbraw/zinc/23/88/32/1419238832.db2.gz IWPHIEDNIFTOMN-QGZVFWFLSA-N 2 0 333.520 2.846 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCCCC3)CCC2)CC1 ZINC001717163004 1419244300 /nfs/dbraw/zinc/24/43/00/1419244300.db2.gz PRSRXQLACAJLPX-UHFFFAOYSA-N 2 0 345.531 2.540 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001717216483 1419269933 /nfs/dbraw/zinc/26/99/33/1419269933.db2.gz JIRMXMSYIUMMSU-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001717216131 1419270056 /nfs/dbraw/zinc/27/00/56/1419270056.db2.gz DSMGVJRZSYRCQN-PMACEKPBSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)cc2C1 ZINC001717271006 1419300128 /nfs/dbraw/zinc/30/01/28/1419300128.db2.gz UBBRVYBADGVHOG-QGZVFWFLSA-N 2 0 341.499 2.926 10 30 EFEERP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001717311562 1419323079 /nfs/dbraw/zinc/32/30/79/1419323079.db2.gz CUWGJLHUWHWRGJ-RTBURBONSA-N 2 0 341.499 2.529 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717357634 1419352227 /nfs/dbraw/zinc/35/22/27/1419352227.db2.gz YNLOIWQKCWBAIV-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001717368773 1419361554 /nfs/dbraw/zinc/36/15/54/1419361554.db2.gz FMGDEEBHXWTCBV-QZTJIDSGSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377238 1419369381 /nfs/dbraw/zinc/36/93/81/1419369381.db2.gz AQXXKXJKZZGKFZ-MOPGFXCFSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717393525 1419376417 /nfs/dbraw/zinc/37/64/17/1419376417.db2.gz AZFGUJFYEALHGD-KVZIAJEVSA-N 2 0 329.488 2.740 10 30 EFEERP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625096 1419474750 /nfs/dbraw/zinc/47/47/50/1419474750.db2.gz WMBQLSOZWDREEH-BZSNNMDCSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001717628607 1419477371 /nfs/dbraw/zinc/47/73/71/1419477371.db2.gz BQKYONXHLHQNAI-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717668614 1419496186 /nfs/dbraw/zinc/49/61/86/1419496186.db2.gz CVUJDWJWZTXZIB-OAHLLOKOSA-N 2 0 329.916 2.878 10 30 EFEERP C=CCCCCC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001717703383 1419517076 /nfs/dbraw/zinc/51/70/76/1419517076.db2.gz HJTXVPHLEZHFAL-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+]CCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001717717551 1419524246 /nfs/dbraw/zinc/52/42/46/1419524246.db2.gz ZOAUZEGRQKLMMO-IBGZPJMESA-N 2 0 329.488 2.742 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001717848130 1419576587 /nfs/dbraw/zinc/57/65/87/1419576587.db2.gz WQJBGOITOUGZAC-IPMKNSEASA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001717848879 1419577232 /nfs/dbraw/zinc/57/72/32/1419577232.db2.gz KNCNIAYYBKWTNH-CEXWTWQISA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001717861091 1419588988 /nfs/dbraw/zinc/58/89/88/1419588988.db2.gz SZHPDEQHNTZLRP-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717874652 1419596737 /nfs/dbraw/zinc/59/67/37/1419596737.db2.gz FYLQVWPBZHGLFG-QZTJIDSGSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001717901518 1419610253 /nfs/dbraw/zinc/61/02/53/1419610253.db2.gz DPPGYBPRGZOSRC-GOSISDBHSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001717980912 1419640638 /nfs/dbraw/zinc/64/06/38/1419640638.db2.gz QEVPFNUBMXMBBV-XLIONFOSSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955851 1424385051 /nfs/dbraw/zinc/38/50/51/1424385051.db2.gz HISJDXNOXJEEHZ-PMACEKPBSA-N 2 0 347.547 2.642 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955859 1424385162 /nfs/dbraw/zinc/38/51/62/1424385162.db2.gz HISJDXNOXJEEHZ-VQTJNVASSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001722958000 1424387380 /nfs/dbraw/zinc/38/73/80/1424387380.db2.gz TVHPGRSROWOISF-RBUKOAKNSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001723616401 1424537279 /nfs/dbraw/zinc/53/72/79/1424537279.db2.gz AJAGHRCFJAWVPM-MVCQKVDPSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001723649112 1424547968 /nfs/dbraw/zinc/54/79/68/1424547968.db2.gz HJBFVDWCRSKRRZ-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678921 1424554731 /nfs/dbraw/zinc/55/47/31/1424554731.db2.gz GKKNCHKEGLXOOV-QUCCMNQESA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723680297 1424556821 /nfs/dbraw/zinc/55/68/21/1424556821.db2.gz NWRWWQQIQXHXCA-IBGZPJMESA-N 2 0 333.520 2.751 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CCCCC)CC1 ZINC001724047550 1424634994 /nfs/dbraw/zinc/63/49/94/1424634994.db2.gz MZOQIHXKMPVJGS-VQTJNVASSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001724070374 1424644521 /nfs/dbraw/zinc/64/45/21/1424644521.db2.gz FXIRYVQYGOXRLX-RTWAWAEBSA-N 2 0 349.478 2.704 10 30 EFEERP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001724126745 1424668202 /nfs/dbraw/zinc/66/82/02/1424668202.db2.gz WTBOCJDKSFSCQL-NRFANRHFSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001724189386 1424694358 /nfs/dbraw/zinc/69/43/58/1424694358.db2.gz KGLJYZNEORTCEO-OAQYLSRUSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001724274656 1424719691 /nfs/dbraw/zinc/71/96/91/1424719691.db2.gz XVTCTAJKGUZIQL-IBGZPJMESA-N 2 0 333.476 2.749 10 30 EFEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001724376433 1424750898 /nfs/dbraw/zinc/75/08/98/1424750898.db2.gz QXTODULVSIBCGZ-HZPDHXFCSA-N 2 0 343.462 2.510 10 30 EFEERP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001724508011 1424774992 /nfs/dbraw/zinc/77/49/92/1424774992.db2.gz IXKNNQMZJNWZAR-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C[C@H]2C1 ZINC001724632469 1424856163 /nfs/dbraw/zinc/85/61/63/1424856163.db2.gz XBNQNUMZQTUOBO-KURKYZTESA-N 2 0 344.503 2.725 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001724647312 1424876199 /nfs/dbraw/zinc/87/61/99/1424876199.db2.gz IZXTZKBALOVUGE-QRVBRYPASA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001724730881 1424953186 /nfs/dbraw/zinc/95/31/86/1424953186.db2.gz VCOCQQFLOVQASS-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001724736632 1424961639 /nfs/dbraw/zinc/96/16/39/1424961639.db2.gz IQTSTEDMDHGSKC-UHFFFAOYSA-N 2 0 329.488 2.795 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724753721 1424983901 /nfs/dbraw/zinc/98/39/01/1424983901.db2.gz CVZAMZWMBPQRCB-VJANTYMQSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001724799366 1425020643 /nfs/dbraw/zinc/02/06/43/1425020643.db2.gz SXAJPVMHZVUUBM-SFHVURJKSA-N 2 0 329.488 2.884 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001724863270 1425079000 /nfs/dbraw/zinc/07/90/00/1425079000.db2.gz ORHJLFCJUIXBTC-UXHICEINSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001724900809 1425120695 /nfs/dbraw/zinc/12/06/95/1425120695.db2.gz RMGWTYCZVMDBJJ-AZUAARDMSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001724940478 1425151076 /nfs/dbraw/zinc/15/10/76/1425151076.db2.gz AURVYAWHQFNOPP-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001724940480 1425151171 /nfs/dbraw/zinc/15/11/71/1425151171.db2.gz AURVYAWHQFNOPP-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001724952319 1425160256 /nfs/dbraw/zinc/16/02/56/1425160256.db2.gz YHVDIASGRQBTFF-APWZRJJASA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001725026256 1425236435 /nfs/dbraw/zinc/23/64/35/1425236435.db2.gz QRBBLGAPJPHFEL-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725056333 1425267570 /nfs/dbraw/zinc/26/75/70/1425267570.db2.gz TWNLCPNPYVJNBO-PMACEKPBSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001725243761 1425410108 /nfs/dbraw/zinc/41/01/08/1425410108.db2.gz ZONZPEJFWXDUQF-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725331578 1425474159 /nfs/dbraw/zinc/47/41/59/1425474159.db2.gz CCFDNQGEMCSYPG-FHWLQOOXSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001725338198 1425484278 /nfs/dbraw/zinc/48/42/78/1425484278.db2.gz ZWUPVIQOESYJFV-FHWLQOOXSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001725344401 1425493432 /nfs/dbraw/zinc/49/34/32/1425493432.db2.gz GQOSEQTZOJRJDW-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725417419 1425561653 /nfs/dbraw/zinc/56/16/53/1425561653.db2.gz PELMCXUSLOZVNW-PBHICJAKSA-N 2 0 347.906 2.826 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001725626214 1425722233 /nfs/dbraw/zinc/72/22/33/1425722233.db2.gz KVXDDIBGBKTXBM-FUHWJXTLSA-N 2 0 333.520 2.632 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001725664763 1425763418 /nfs/dbraw/zinc/76/34/18/1425763418.db2.gz MWGBNSFEFMRHCC-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725795665 1425857027 /nfs/dbraw/zinc/85/70/27/1425857027.db2.gz OSKABNKCPQUNIY-OALUTQOASA-N 2 0 347.547 2.927 10 30 EFEERP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261997362 722676668 /nfs/dbraw/zinc/67/66/68/722676668.db2.gz SRWBIPRVEDCHCJ-IUODEOHRSA-N 2 0 337.537 2.544 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000908145738 727102383 /nfs/dbraw/zinc/10/23/83/727102383.db2.gz IHASHALFBVXECP-NRFANRHFSA-N 2 0 341.499 2.619 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000908457365 727194277 /nfs/dbraw/zinc/19/42/77/727194277.db2.gz MVIOQGJPNKZKMY-KRWDZBQOSA-N 2 0 335.517 2.635 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000917097836 727767422 /nfs/dbraw/zinc/76/74/22/727767422.db2.gz KMQZCLJGCDQIAJ-UHFFFAOYSA-N 2 0 348.535 2.733 10 30 EFEERP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244963 727922056 /nfs/dbraw/zinc/92/20/56/727922056.db2.gz RBSZAPXNHVHPLS-GOSISDBHSA-N 2 0 345.487 2.585 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238651 727926247 /nfs/dbraw/zinc/92/62/47/727926247.db2.gz ZERFZFDITKOKMA-LJQANCHMSA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801943 728251827 /nfs/dbraw/zinc/25/18/27/728251827.db2.gz ZZAAYLSMQOXKNY-ZWKOTPCHSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801940 728252112 /nfs/dbraw/zinc/25/21/12/728252112.db2.gz ZZAAYLSMQOXKNY-MSOLQXFVSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865405 728288236 /nfs/dbraw/zinc/28/82/36/728288236.db2.gz XSUJWCDJTAMHEK-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)C(C)(C)C1 ZINC000940885377 728301682 /nfs/dbraw/zinc/30/16/82/728301682.db2.gz AOAHGMVGGCWDHU-MRXNPFEDSA-N 2 0 326.444 2.741 10 30 EFEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972264 728344486 /nfs/dbraw/zinc/34/44/86/728344486.db2.gz KEESVERHDRLGGA-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027512 728373789 /nfs/dbraw/zinc/37/37/89/728373789.db2.gz HBNHVCGJGCLLPM-IBGZPJMESA-N 2 0 343.515 2.807 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092144 728398871 /nfs/dbraw/zinc/39/88/71/728398871.db2.gz CCEPHZJHKOORQD-SFHVURJKSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079606 728401315 /nfs/dbraw/zinc/40/13/15/728401315.db2.gz PSQBOPDKTIIRDZ-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP N#Cc1ccc(C[NH+]2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)cc1 ZINC000169787265 728403199 /nfs/dbraw/zinc/40/31/99/728403199.db2.gz TTZXVBLZCXLUOP-IBGZPJMESA-N 2 0 325.456 2.635 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC001569435113 1085209317 /nfs/dbraw/zinc/20/93/17/1085209317.db2.gz 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ZINC001569921868 1085772511 /nfs/dbraw/zinc/77/25/11/1085772511.db2.gz UPGHCFSYOAEDJW-SLFFLAALSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001570026724 1085875217 /nfs/dbraw/zinc/87/52/17/1085875217.db2.gz IAKRMILXKZCJEJ-HXUWFJFHSA-N 2 0 341.499 2.632 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001570026835 1085875330 /nfs/dbraw/zinc/87/53/30/1085875330.db2.gz LLILUVJXFJLHCC-VQTJNVASSA-N 2 0 341.499 2.938 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001570032690 1085885087 /nfs/dbraw/zinc/88/50/87/1085885087.db2.gz AEODYSWWGLKUKB-MSOLQXFVSA-N 2 0 341.499 2.851 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001570032967 1085886444 /nfs/dbraw/zinc/88/64/44/1085886444.db2.gz ISBINNDQGZKKSM-QGZVFWFLSA-N 2 0 349.478 2.962 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001570052094 1085907238 /nfs/dbraw/zinc/90/72/38/1085907238.db2.gz IFGFYLYLGHCXEB-HKUYNNGSSA-N 2 0 345.531 2.607 10 30 EFEERP C=CC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001570053911 1085907770 /nfs/dbraw/zinc/90/77/70/1085907770.db2.gz WUXAACVSVXELKN-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001570090933 1085941646 /nfs/dbraw/zinc/94/16/46/1085941646.db2.gz ILCYXPMXONACDT-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001570274590 1086117079 /nfs/dbraw/zinc/11/70/79/1086117079.db2.gz HBPUSJSPNYJEON-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001570374511 1086178263 /nfs/dbraw/zinc/17/82/63/1086178263.db2.gz QVRLPLGFZDKOEL-MRXNPFEDSA-N 2 0 327.488 2.603 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001570382463 1086183209 /nfs/dbraw/zinc/18/32/09/1086183209.db2.gz ROKFTJDOOUYOML-UHFFFAOYSA-N 2 0 329.488 2.909 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001570550910 1086353967 /nfs/dbraw/zinc/35/39/67/1086353967.db2.gz GZNZMJPBFXYUHU-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570812347 1086533745 /nfs/dbraw/zinc/53/37/45/1086533745.db2.gz PUOHCNHPYMMTRM-PKOBYXMFSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001570840841 1086559588 /nfs/dbraw/zinc/55/95/88/1086559588.db2.gz AIRZRCVOTOOMNN-LPHOPBHVSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001570932759 1086617685 /nfs/dbraw/zinc/61/76/85/1086617685.db2.gz WQBZAFXNSWNROI-YSTOQKLRSA-N 2 0 345.531 2.654 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001571021286 1086645180 /nfs/dbraw/zinc/64/51/80/1086645180.db2.gz GCXUOYBYQLQTFA-SLFFLAALSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001571035580 1086650377 /nfs/dbraw/zinc/65/03/77/1086650377.db2.gz IXDFBTNBUDYXLX-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001571043519 1086653685 /nfs/dbraw/zinc/65/36/85/1086653685.db2.gz GLMCDECOLUQHGC-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001571331229 1086729986 /nfs/dbraw/zinc/72/99/86/1086729986.db2.gz NHBFYXWOKVUYKV-SFHVURJKSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001571361814 1086757466 /nfs/dbraw/zinc/75/74/66/1086757466.db2.gz WWOFMMORBBUJAU-RTBURBONSA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001571418665 1086798281 /nfs/dbraw/zinc/79/82/81/1086798281.db2.gz BMYMLUHLLUSBIS-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001571467033 1086841393 /nfs/dbraw/zinc/84/13/93/1086841393.db2.gz FASURWOJEMLIFN-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001571510623 1086915788 /nfs/dbraw/zinc/91/57/88/1086915788.db2.gz HHXRYZCHFTXHHK-IPMKNSEASA-N 2 0 333.520 2.511 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001571626045 1086996420 /nfs/dbraw/zinc/99/64/20/1086996420.db2.gz QHMUOYAXVYSFEE-ROUUACIJSA-N 2 0 333.520 2.537 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001571687151 1087049666 /nfs/dbraw/zinc/04/96/66/1087049666.db2.gz VAGGWJDMUWOPJG-IEBWSBKVSA-N 2 0 333.520 2.962 10 30 EFEERP CCC[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001267152024 1092928700 /nfs/dbraw/zinc/92/87/00/1092928700.db2.gz HFXIRHGEWXKINF-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267200498 1093171532 /nfs/dbraw/zinc/17/15/32/1093171532.db2.gz CROSODZVBBLPNX-IAGOWNOFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267200709 1093172798 /nfs/dbraw/zinc/17/27/98/1093172798.db2.gz FMVNZQGOCSHMLT-IRXDYDNUSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267200710 1093172816 /nfs/dbraw/zinc/17/28/16/1093172816.db2.gz FMVNZQGOCSHMLT-SJORKVTESA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001267257380 1093387255 /nfs/dbraw/zinc/38/72/55/1093387255.db2.gz KQTFRCWBHMVEEI-LJQANCHMSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001267340617 1093618276 /nfs/dbraw/zinc/61/82/76/1093618276.db2.gz OMUZTGASAGKFCN-INIZCTEOSA-N 2 0 329.916 2.830 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001481094264 1094449852 /nfs/dbraw/zinc/44/98/52/1094449852.db2.gz QXCZHTHHGPFRPK-SJORKVTESA-N 2 0 344.503 2.555 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)CC2 ZINC001268045911 1094831795 /nfs/dbraw/zinc/83/17/95/1094831795.db2.gz MVZZLQDZZMQIEP-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267496074 1094984543 /nfs/dbraw/zinc/98/45/43/1094984543.db2.gz LMRZXGWCTALKSN-FQEVSTJZSA-N 2 0 341.499 2.698 10 30 EFEERP C#CCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001267501108 1095051469 /nfs/dbraw/zinc/05/14/69/1095051469.db2.gz IYDSKOWOBUYOCK-IBGZPJMESA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001481174939 1095120517 /nfs/dbraw/zinc/12/05/17/1095120517.db2.gz YENSMWZXMIVEIS-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267522486 1095243532 /nfs/dbraw/zinc/24/35/32/1095243532.db2.gz HJOVTWGRMFDUHC-IBGZPJMESA-N 2 0 329.488 2.742 10 30 EFEERP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cnccc2OC)C1 ZINC001267657735 1095356424 /nfs/dbraw/zinc/35/64/24/1095356424.db2.gz DAQPPOCEJWDNKX-SJORKVTESA-N 2 0 345.487 2.768 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001267665779 1095383161 /nfs/dbraw/zinc/38/31/61/1095383161.db2.gz LIVUYGSRSIDHTQ-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267536081 1095392737 /nfs/dbraw/zinc/39/27/37/1095392737.db2.gz LTCNYGOQSOAVEE-OALUTQOASA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001268118970 1095404966 /nfs/dbraw/zinc/40/49/66/1095404966.db2.gz FSNNVGLXAMRZJK-IBGZPJMESA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001267686393 1095448546 /nfs/dbraw/zinc/44/85/46/1095448546.db2.gz QLNFFQNIHVNRAW-RTBURBONSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267557855 1095519102 /nfs/dbraw/zinc/51/91/02/1095519102.db2.gz NVGQKWGOBMBCKZ-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267562696 1095562814 /nfs/dbraw/zinc/56/28/14/1095562814.db2.gz MIWNTNDEFFOEED-UYAOXDASSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267708330 1095565631 /nfs/dbraw/zinc/56/56/31/1095565631.db2.gz LHAFNUHKJKSYDG-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001267733133 1095747941 /nfs/dbraw/zinc/74/79/41/1095747941.db2.gz DFTDJHIRJZGRBK-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001268201116 1096093126 /nfs/dbraw/zinc/09/31/26/1096093126.db2.gz GTQJXYYSFLIKAP-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C(C)C)CC1 ZINC001268227585 1096132515 /nfs/dbraw/zinc/13/25/15/1096132515.db2.gz MMRRRIOWEXWCCA-FQEVSTJZSA-N 2 0 345.531 2.562 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001267599739 1096166026 /nfs/dbraw/zinc/16/60/26/1096166026.db2.gz AOOCCQJKSGMDQD-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001267601108 1096190544 /nfs/dbraw/zinc/19/05/44/1096190544.db2.gz KKJLQDSDHZGPDI-QGZVFWFLSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001267600600 1096191759 /nfs/dbraw/zinc/19/17/59/1096191759.db2.gz RBEJBEJBLOUQCX-UHFFFAOYSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268293492 1096280386 /nfs/dbraw/zinc/28/03/86/1096280386.db2.gz CXQPCRIIOPBSJA-RBUKOAKNSA-N 2 0 329.488 2.812 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001481883682 1096856465 /nfs/dbraw/zinc/85/64/65/1096856465.db2.gz YCCQWEPJNJHGAZ-FXAWDEMLSA-N 2 0 341.499 2.577 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC/C=C\CC)CCCC2)CC1 ZINC001481913236 1096915760 /nfs/dbraw/zinc/91/57/60/1096915760.db2.gz QUBXFEPCSNKRJH-WAYWQWQTSA-N 2 0 345.531 2.707 10 30 EFEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481983827 1097045272 /nfs/dbraw/zinc/04/52/72/1097045272.db2.gz JXASHJPHFJMNQI-UYAOXDASSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001482032025 1097123899 /nfs/dbraw/zinc/12/38/99/1097123899.db2.gz JZYVEJLLELIHHB-UXHICEINSA-N 2 0 341.499 2.985 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001482032024 1097124373 /nfs/dbraw/zinc/12/43/73/1097124373.db2.gz JZYVEJLLELIHHB-PMACEKPBSA-N 2 0 341.499 2.985 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268762991 1097607028 /nfs/dbraw/zinc/60/70/28/1097607028.db2.gz KFFQAQQWBMVRGB-QUCCMNQESA-N 2 0 343.515 2.855 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268777298 1097627227 /nfs/dbraw/zinc/62/72/27/1097627227.db2.gz XNLKZIHAKBQSKT-VQTJNVASSA-N 2 0 341.499 2.650 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001269167811 1097914322 /nfs/dbraw/zinc/91/43/22/1097914322.db2.gz BHHVQONABOISNK-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001269346152 1098073033 /nfs/dbraw/zinc/07/30/33/1098073033.db2.gz ZRXWGWISFYINKA-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001269492943 1098182882 /nfs/dbraw/zinc/18/28/82/1098182882.db2.gz SEZLQBQIKHLBIQ-WMZOPIPTSA-N 2 0 349.906 2.516 10 30 EFEERP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001269611766 1098296668 /nfs/dbraw/zinc/29/66/68/1098296668.db2.gz QAYRVCTZUJTMIN-LJQANCHMSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001482235499 1098315550 /nfs/dbraw/zinc/31/55/50/1098315550.db2.gz IDJDITFJTNYDAD-CVEARBPZSA-N 2 0 341.927 2.878 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C[NH2+]CCC=C)CCCC[C@@H]2C)CC1 ZINC001269675952 1098348826 /nfs/dbraw/zinc/34/88/26/1098348826.db2.gz DNAMJPOOPMEQHW-GHTZIAJQSA-N 2 0 345.531 2.562 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C[NH2+]CCC=C)CCCC[C@H]2C)CC1 ZINC001269675955 1098348875 /nfs/dbraw/zinc/34/88/75/1098348875.db2.gz DNAMJPOOPMEQHW-WIYYLYMNSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269790632 1098446046 /nfs/dbraw/zinc/44/60/46/1098446046.db2.gz JAOWPDQTFLSGME-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001482243321 1098449731 /nfs/dbraw/zinc/44/97/31/1098449731.db2.gz FSAMKMNFSQCLOK-GBESFXJTSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001482244508 1098458878 /nfs/dbraw/zinc/45/88/78/1098458878.db2.gz XVVABWIVARZDJP-MJGOQNOKSA-N 2 0 345.531 2.607 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001269907666 1098514454 /nfs/dbraw/zinc/51/44/54/1098514454.db2.gz FKCLOXVSWPOCGA-IBGZPJMESA-N 2 0 339.499 2.603 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC)C[C@H]2C)CC1 ZINC001269989847 1098574627 /nfs/dbraw/zinc/57/46/27/1098574627.db2.gz YEXYWXBEZSQKCB-UYAOXDASSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267914485 1098605935 /nfs/dbraw/zinc/60/59/35/1098605935.db2.gz HUNJIVVHRNCMEX-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001270058918 1098645677 /nfs/dbraw/zinc/64/56/77/1098645677.db2.gz OXYKCCDMVXFBEK-MRXNPFEDSA-N 2 0 335.517 2.970 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001270070971 1098659990 /nfs/dbraw/zinc/65/99/90/1098659990.db2.gz IANAFJURKREUCB-IBGZPJMESA-N 2 0 329.488 2.843 10 30 EFEERP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001270138222 1098733791 /nfs/dbraw/zinc/73/37/91/1098733791.db2.gz OTFWJVGLSARDDL-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001270138385 1098734491 /nfs/dbraw/zinc/73/44/91/1098734491.db2.gz QOQNDHSAZZMVNW-UHFFFAOYSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001270157441 1098749264 /nfs/dbraw/zinc/74/92/64/1098749264.db2.gz AWOPCGSDBMLENU-LJQANCHMSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001267939243 1098762845 /nfs/dbraw/zinc/76/28/45/1098762845.db2.gz HYNXPPAALLPRMD-UHFFFAOYSA-N 2 0 329.488 2.700 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270254620 1098869175 /nfs/dbraw/zinc/86/91/75/1098869175.db2.gz WNEIFJAXZNCNRO-MOPGFXCFSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](CC)CC1 ZINC001270315006 1098949235 /nfs/dbraw/zinc/94/92/35/1098949235.db2.gz CQIZLVWLUYKLLQ-SFHVURJKSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001270339441 1098985208 /nfs/dbraw/zinc/98/52/08/1098985208.db2.gz GJSGKJLRARVFKS-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001267974365 1099038739 /nfs/dbraw/zinc/03/87/39/1099038739.db2.gz WDFZKFGUMGBONG-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001270403668 1099058749 /nfs/dbraw/zinc/05/87/49/1099058749.db2.gz JWDAHZRMWUGDOI-QGZVFWFLSA-N 2 0 347.528 2.711 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001615358159 1099156296 /nfs/dbraw/zinc/15/62/96/1099156296.db2.gz UEIZXGLDGLEOQF-GOSISDBHSA-N 2 0 349.906 2.929 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001280250934 1099221923 /nfs/dbraw/zinc/22/19/23/1099221923.db2.gz FBMUJSPFTROCEH-GOSISDBHSA-N 2 0 333.520 2.513 10 30 EFEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481335095 1099350758 /nfs/dbraw/zinc/35/07/58/1099350758.db2.gz ONVWJLCVLQGJKV-FXAWDEMLSA-N 2 0 345.531 2.633 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001481342554 1099380539 /nfs/dbraw/zinc/38/05/39/1099380539.db2.gz GZDRANQDMQYIEU-QUCCMNQESA-N 2 0 347.547 2.737 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001481366572 1099486748 /nfs/dbraw/zinc/48/67/48/1099486748.db2.gz YUNXRYHCXCAGHB-FQEVSTJZSA-N 2 0 346.434 2.727 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001270752091 1099528959 /nfs/dbraw/zinc/52/89/59/1099528959.db2.gz IGGJBKULHMZYDS-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001270778096 1099552637 /nfs/dbraw/zinc/55/26/37/1099552637.db2.gz FCIQCUDSDBUDFY-CTNGQTDRSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481402239 1099632595 /nfs/dbraw/zinc/63/25/95/1099632595.db2.gz UHJHIUBXTCRDBN-QGZVFWFLSA-N 2 0 326.444 2.755 10 30 EFEERP C=CCC[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267857282 1099670929 /nfs/dbraw/zinc/67/09/29/1099670929.db2.gz XIDLBROYLNGEQN-LJQANCHMSA-N 2 0 326.444 2.707 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001270846376 1099711677 /nfs/dbraw/zinc/71/16/77/1099711677.db2.gz DYJBZYQHNSFUKR-AZUAARDMSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001270846380 1099712204 /nfs/dbraw/zinc/71/22/04/1099712204.db2.gz DYJBZYQHNSFUKR-UYAOXDASSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001270851196 1099718912 /nfs/dbraw/zinc/71/89/12/1099718912.db2.gz JCHMDAKCBVFTOB-RTBURBONSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481437902 1099818923 /nfs/dbraw/zinc/81/89/23/1099818923.db2.gz IRCLJLNZVDMNGS-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267895734 1099913218 /nfs/dbraw/zinc/91/32/18/1099913218.db2.gz HLVGBQZVHKIGLQ-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267895733 1099913233 /nfs/dbraw/zinc/91/32/33/1099913233.db2.gz HLVGBQZVHKIGLQ-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482396441 1100014551 /nfs/dbraw/zinc/01/45/51/1100014551.db2.gz UABSPUJOAJRHIX-LJQANCHMSA-N 2 0 329.488 2.506 10 30 EFEERP C#CCC[NH+]1CCC(C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001270899087 1100170734 /nfs/dbraw/zinc/17/07/34/1100170734.db2.gz CTFNHLCMYKDVQG-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001629184176 1100177774 /nfs/dbraw/zinc/17/77/74/1100177774.db2.gz AXRJCVCVSICHPX-NRFANRHFSA-N 2 0 341.499 2.619 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001482432325 1100181064 /nfs/dbraw/zinc/18/10/64/1100181064.db2.gz LRJKXFJVWGKURB-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001271016429 1100377089 /nfs/dbraw/zinc/37/70/89/1100377089.db2.gz GQYRZLFOVKMQHW-HXUWFJFHSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001632591371 1100486381 /nfs/dbraw/zinc/48/63/81/1100486381.db2.gz HEXLBYLAGBARCF-SLFFLAALSA-N 2 0 341.499 2.521 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001632734288 1100497454 /nfs/dbraw/zinc/49/74/54/1100497454.db2.gz FRJPTJWTMNGWPW-GOSISDBHSA-N 2 0 333.520 2.677 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001633334323 1100536825 /nfs/dbraw/zinc/53/68/25/1100536825.db2.gz AWZJMVOAIIOPSF-UHFFFAOYSA-N 2 0 341.499 2.619 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC001271216223 1101292547 /nfs/dbraw/zinc/29/25/47/1101292547.db2.gz 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GANPZFMVHIHGQQ-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001664736626 1104528854 /nfs/dbraw/zinc/52/88/54/1104528854.db2.gz ZTBJUYVIODMIIS-QUCCMNQESA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001664736624 1104529077 /nfs/dbraw/zinc/52/90/77/1104529077.db2.gz ZTBJUYVIODMIIS-AZUAARDMSA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(=C)C)[C@H](CC)C2)CC1 ZINC001483625261 1104578651 /nfs/dbraw/zinc/57/86/51/1104578651.db2.gz MSIFHMUTAOTUMQ-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001664876492 1104589210 /nfs/dbraw/zinc/58/92/10/1104589210.db2.gz YEWBAJQRXIKAQY-FXAWDEMLSA-N 2 0 347.547 2.853 10 30 EFEERP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665726348 1104766548 /nfs/dbraw/zinc/76/65/48/1104766548.db2.gz OGNZRGYAAXXMNN-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCCC(C)C)C2)CC1 ZINC001665742054 1104772179 /nfs/dbraw/zinc/77/21/79/1104772179.db2.gz JTJJYSHAWVXZMB-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001272085552 1104807212 /nfs/dbraw/zinc/80/72/12/1104807212.db2.gz QEGNLVSEEXCPCJ-IPMKNSEASA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001665968258 1104817693 /nfs/dbraw/zinc/81/76/93/1104817693.db2.gz COHBCHFAGAGUDW-UHFFFAOYSA-N 2 0 329.488 2.957 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001666256726 1104913345 /nfs/dbraw/zinc/91/33/45/1104913345.db2.gz XAHZSUMCRHREAD-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001666333410 1104928273 /nfs/dbraw/zinc/92/82/73/1104928273.db2.gz QKVZEKSCBYFIQN-IBGZPJMESA-N 2 0 329.488 2.841 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001666363947 1104934629 /nfs/dbraw/zinc/93/46/29/1104934629.db2.gz AEVWMLNGNAKMLR-YLJYHZDGSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001667145172 1105062051 /nfs/dbraw/zinc/06/20/51/1105062051.db2.gz YVYCLFCUDKJPDS-UYAOXDASSA-N 2 0 347.547 2.929 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001667204870 1105079709 /nfs/dbraw/zinc/07/97/09/1105079709.db2.gz UGODIZYPKZNUBW-XLIONFOSSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482857062 1105105484 /nfs/dbraw/zinc/10/54/84/1105105484.db2.gz QBESIOGHRPVNDD-HNNXBMFYSA-N 2 0 329.916 2.735 10 30 EFEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001667413171 1105143435 /nfs/dbraw/zinc/14/34/35/1105143435.db2.gz KYFHMGQBXFALPC-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001667414018 1105144268 /nfs/dbraw/zinc/14/42/68/1105144268.db2.gz VJGZWTACOCYMCD-IAGOWNOFSA-N 2 0 330.476 2.650 10 30 EFEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001667414153 1105144444 /nfs/dbraw/zinc/14/44/44/1105144444.db2.gz YYPUOVHRDRNPOD-FQEVSTJZSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930029 1105547174 /nfs/dbraw/zinc/54/71/74/1105547174.db2.gz HICYABLJAJVGDU-MSOLQXFVSA-N 2 0 341.499 2.529 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669961627 1105556693 /nfs/dbraw/zinc/55/66/93/1105556693.db2.gz LATASDPEZCABKQ-VQIMIIECSA-N 2 0 338.455 2.544 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001669987208 1105565127 /nfs/dbraw/zinc/56/51/27/1105565127.db2.gz YDWXVQQWQAEFDJ-VQTJNVASSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001670250026 1105604313 /nfs/dbraw/zinc/60/43/13/1105604313.db2.gz RAIJJHPCGMWUHH-VQIMIIECSA-N 2 0 341.515 2.992 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001671359824 1105629707 /nfs/dbraw/zinc/62/97/07/1105629707.db2.gz QBTLGYKJDUMMKA-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001671477344 1105642620 /nfs/dbraw/zinc/64/26/20/1105642620.db2.gz LJNVECOQIQJPRG-YLJYHZDGSA-N 2 0 347.547 2.689 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512416 1105649014 /nfs/dbraw/zinc/64/90/14/1105649014.db2.gz HMLYSJVJLQJHJX-RTWAWAEBSA-N 2 0 349.478 2.562 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC=C(C)C)C2CCCC2)CC1 ZINC001671570309 1105661154 /nfs/dbraw/zinc/66/11/54/1105661154.db2.gz TXGLUXNQOCHDIY-HXUWFJFHSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001671599071 1105667628 /nfs/dbraw/zinc/66/76/28/1105667628.db2.gz TYLDOICVEZDBIU-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001671916404 1105730377 /nfs/dbraw/zinc/73/03/77/1105730377.db2.gz KYMJXTRRPZHFOD-DNVCBOLYSA-N 2 0 332.492 2.834 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001672183800 1105767973 /nfs/dbraw/zinc/76/79/73/1105767973.db2.gz QYZXBMCOTGKFBJ-UYAOXDASSA-N 2 0 343.515 2.914 10 30 EFEERP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001672337912 1105804691 /nfs/dbraw/zinc/80/46/91/1105804691.db2.gz CDIXBZNYYKDHRK-CVEARBPZSA-N 2 0 333.476 2.605 10 30 EFEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001672355718 1105812021 /nfs/dbraw/zinc/81/20/21/1105812021.db2.gz CRZFHEXOQDAIDY-REPLKXPHSA-N 2 0 333.520 2.654 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001672369237 1105814845 /nfs/dbraw/zinc/81/48/45/1105814845.db2.gz QHNSYLISOQEQED-IYARVYRRSA-N 2 0 335.536 2.949 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001672376547 1105816908 /nfs/dbraw/zinc/81/69/08/1105816908.db2.gz HFHLMZIOOVLSCG-IYARVYRRSA-N 2 0 347.547 2.807 10 30 EFEERP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@H]2C1 ZINC001672420067 1105829248 /nfs/dbraw/zinc/82/92/48/1105829248.db2.gz VQGBZGFTADWBKR-XMTFNYHQSA-N 2 0 342.487 2.650 10 30 EFEERP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001672557937 1105871497 /nfs/dbraw/zinc/87/14/97/1105871497.db2.gz HVOONMJOZXKOLL-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001672929350 1105940532 /nfs/dbraw/zinc/94/05/32/1105940532.db2.gz FBIGINBDLOTDEV-FQEVSTJZSA-N 2 0 341.499 2.631 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001672929925 1105940660 /nfs/dbraw/zinc/94/06/60/1105940660.db2.gz VTKYMWUOBULJNY-IBGZPJMESA-N 2 0 329.488 2.795 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001672938008 1105944698 /nfs/dbraw/zinc/94/46/98/1105944698.db2.gz OUYQNRYCCHDDCP-XLIONFOSSA-N 2 0 341.499 2.851 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001672965852 1105950261 /nfs/dbraw/zinc/95/02/61/1105950261.db2.gz PXMOTCHKNWTBQH-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001672982663 1105953619 /nfs/dbraw/zinc/95/36/19/1105953619.db2.gz JGZSOLYGXKWUEF-GUDVDZBRSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001673008382 1105958051 /nfs/dbraw/zinc/95/80/51/1105958051.db2.gz FAPQFPBDBYEZHS-KRWDZBQOSA-N 2 0 339.499 2.557 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001673496360 1106034500 /nfs/dbraw/zinc/03/45/00/1106034500.db2.gz KUZLZGFEIZOZLW-VQTJNVASSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001673625264 1106056591 /nfs/dbraw/zinc/05/65/91/1106056591.db2.gz ONDGMQULDDJTAX-UHFFFAOYSA-N 2 0 333.520 2.637 10 30 EFEERP C=CCCCCC[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001673993297 1106114636 /nfs/dbraw/zinc/11/46/36/1106114636.db2.gz HVEGEVMGDCADSV-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001674429620 1106188018 /nfs/dbraw/zinc/18/80/18/1106188018.db2.gz OPKBEOGJHJDXQA-VAMGGRTRSA-N 2 0 341.499 2.502 10 30 EFEERP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001674491915 1106204306 /nfs/dbraw/zinc/20/43/06/1106204306.db2.gz SXHLEBQSLZUDCE-UXHICEINSA-N 2 0 341.499 2.626 10 30 EFEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001674551755 1106215451 /nfs/dbraw/zinc/21/54/51/1106215451.db2.gz XGOWMVRXGPUJKD-TVPLGVNVSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001409264739 1106229122 /nfs/dbraw/zinc/22/91/22/1106229122.db2.gz LUWWNGPWHPWHLF-VMBOVVBDSA-N 2 0 339.911 2.630 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001674775895 1106255039 /nfs/dbraw/zinc/25/50/39/1106255039.db2.gz YNXKJIJIZQENMT-MSOLQXFVSA-N 2 0 345.531 2.705 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001675139759 1106307765 /nfs/dbraw/zinc/30/77/65/1106307765.db2.gz IDYVGXBUVAEYEZ-PMACEKPBSA-N 2 0 349.563 2.983 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001675526970 1106380079 /nfs/dbraw/zinc/38/00/79/1106380079.db2.gz HFFMBNSJDVBDIB-AKHDSKFASA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675793028 1106423720 /nfs/dbraw/zinc/42/37/20/1106423720.db2.gz VZDMUVGNWILHOF-BXWFABGCSA-N 2 0 339.499 2.650 10 30 EFEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001676078826 1106481407 /nfs/dbraw/zinc/48/14/07/1106481407.db2.gz BSPIIZQBTANIAN-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676249111 1106505864 /nfs/dbraw/zinc/50/58/64/1106505864.db2.gz ILZRRCDAUYFPGU-APWZRJJASA-N 2 0 339.499 2.602 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001676845909 1106602631 /nfs/dbraw/zinc/60/26/31/1106602631.db2.gz NKLHBFWFCYRCBN-BRWVUGGUSA-N 2 0 341.927 2.688 10 30 EFEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001677032840 1106653698 /nfs/dbraw/zinc/65/36/98/1106653698.db2.gz MHASAVNJZFFUTL-RTBURBONSA-N 2 0 341.499 2.529 10 30 EFEERP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001677342103 1106701199 /nfs/dbraw/zinc/70/11/99/1106701199.db2.gz NZJPKHWHDPRGTO-YLJYHZDGSA-N 2 0 341.499 2.529 10 30 EFEERP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001677648256 1106810470 /nfs/dbraw/zinc/81/04/70/1106810470.db2.gz JRITUPAVAKSDGQ-CRAIPNDOSA-N 2 0 347.478 2.838 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1OC ZINC000904389838 1107878081 /nfs/dbraw/zinc/87/80/81/1107878081.db2.gz WHOLFRPJRCMNQF-QGZVFWFLSA-N 2 0 346.471 2.590 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001272501656 1108562499 /nfs/dbraw/zinc/56/24/99/1108562499.db2.gz AHXSBOHUYNRKMC-SFHVURJKSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001409289298 1109389210 /nfs/dbraw/zinc/38/92/10/1109389210.db2.gz QIUMKUNSDFGDKM-VMWRSERWSA-N 2 0 349.906 2.916 10 30 EFEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001272675787 1112402465 /nfs/dbraw/zinc/40/24/65/1112402465.db2.gz RBUGSQXUAJZFGT-UHFFFAOYSA-N 2 0 349.478 2.743 10 30 EFEERP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001483799245 1112458146 /nfs/dbraw/zinc/45/81/46/1112458146.db2.gz NTLTWXITSVJYLB-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001483802798 1112466351 /nfs/dbraw/zinc/46/63/51/1112466351.db2.gz VAMMEOVDWQFDOB-IRXDYDNUSA-N 2 0 341.927 2.784 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCCCCC1 ZINC001483813468 1112480956 /nfs/dbraw/zinc/48/09/56/1112480956.db2.gz TUZJYHDVUDICJT-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001483833261 1112494454 /nfs/dbraw/zinc/49/44/54/1112494454.db2.gz IWJQTQFOIKWFKS-IRFCIJBXSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483833616 1112494519 /nfs/dbraw/zinc/49/45/19/1112494519.db2.gz MHDQLDWLZKMTQR-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001483837761 1112513465 /nfs/dbraw/zinc/51/34/65/1112513465.db2.gz OQROXIPKZSISCM-GOSISDBHSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483917964 1112558968 /nfs/dbraw/zinc/55/89/68/1112558968.db2.gz QKPCBXXMMRLCBA-SJORKVTESA-N 2 0 341.927 2.974 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001483980517 1112622874 /nfs/dbraw/zinc/62/28/74/1112622874.db2.gz KXKQNCLOLHUZKA-LJQANCHMSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483986630 1112632223 /nfs/dbraw/zinc/63/22/23/1112632223.db2.gz MGXQWUCUFBVHCU-QYZOEREBSA-N 2 0 347.547 2.689 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001483989111 1112635410 /nfs/dbraw/zinc/63/54/10/1112635410.db2.gz XEFPPEVZZPMIHX-UYAOXDASSA-N 2 0 349.563 2.935 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001483993558 1112642667 /nfs/dbraw/zinc/64/26/67/1112642667.db2.gz XLFJJFVMUULZJW-FQEVSTJZSA-N 2 0 337.467 2.562 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001484006812 1112650626 /nfs/dbraw/zinc/65/06/26/1112650626.db2.gz NDBDWLSBTPUZLN-WDSOQIARSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001484014163 1112663853 /nfs/dbraw/zinc/66/38/53/1112663853.db2.gz JAGLFQLFWZXERI-LJQANCHMSA-N 2 0 329.488 2.812 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001484019306 1112670767 /nfs/dbraw/zinc/67/07/67/1112670767.db2.gz ACMQGBBGFQBBHP-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484198221 1112917925 /nfs/dbraw/zinc/91/79/25/1112917925.db2.gz QKHIEPMNJQCARW-INIZCTEOSA-N 2 0 343.462 2.512 10 30 EFEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001484558613 1113011978 /nfs/dbraw/zinc/01/19/78/1113011978.db2.gz JPQDIFYRVDUOHS-UZLBHIALSA-N 2 0 341.499 2.871 10 30 EFEERP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001484832218 1117766782 /nfs/dbraw/zinc/76/67/82/1117766782.db2.gz VUGOSGRCBZBLPV-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001484924745 1117828316 /nfs/dbraw/zinc/82/83/16/1117828316.db2.gz VXSFFWZYMINJRG-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C=CC[NH2+]C1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001484923604 1117839822 /nfs/dbraw/zinc/83/98/22/1117839822.db2.gz XBBWFFSFCZGJGI-UHFFFAOYSA-N 2 0 329.488 2.561 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484984251 1117909837 /nfs/dbraw/zinc/90/98/37/1117909837.db2.gz ZTVAHJPADKKNAD-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001485011566 1117943664 /nfs/dbraw/zinc/94/36/64/1117943664.db2.gz QDHCGLSGCYMLND-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001485085300 1118024253 /nfs/dbraw/zinc/02/42/53/1118024253.db2.gz ZQVZJVLJUXTQHX-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230731 1118156285 /nfs/dbraw/zinc/15/62/85/1118156285.db2.gz XIZYVDKLNDLNGZ-ROUUACIJSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C)CC1 ZINC001485387827 1118328217 /nfs/dbraw/zinc/32/82/17/1118328217.db2.gz IXTNFEGEWYAYRF-KRWDZBQOSA-N 2 0 335.536 2.594 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001485452555 1118364697 /nfs/dbraw/zinc/36/46/97/1118364697.db2.gz HCOFMUBGASYOBM-UHFFFAOYSA-N 2 0 338.455 2.688 10 30 EFEERP C=CC[NH2+]CC1(NC(=O)c2ccc(CC[NH+](C)C)cc2)CCCCC1 ZINC001485455847 1118368164 /nfs/dbraw/zinc/36/81/64/1118368164.db2.gz XWXJDWIBBNHDAI-UHFFFAOYSA-N 2 0 343.515 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]C[C@@H](C)CC)CCCCC2)CC1 ZINC001485459433 1118382981 /nfs/dbraw/zinc/38/29/81/1118382981.db2.gz QVJFQXFPLDVCCP-SFHVURJKSA-N 2 0 347.547 2.786 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237444 1118695379 /nfs/dbraw/zinc/69/53/79/1118695379.db2.gz NMKGULZRIKQHSZ-HKUYNNGSSA-N 2 0 347.547 2.594 10 30 EFEERP N#Cc1ccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000174362114 231188752 /nfs/dbraw/zinc/18/87/52/231188752.db2.gz MZUJNUOCKXASHK-FQEVSTJZSA-N 2 0 339.439 2.686 10 30 EFEERP OCCC#Cc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)cc1 ZINC000067975632 215265180 /nfs/dbraw/zinc/26/51/80/215265180.db2.gz XRXDVOHXORSATP-UHFFFAOYSA-N 2 0 326.484 2.776 10 30 EFEERP [NH2+]=C(N[C@@H]1CC12CCCC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000263289437 240383610 /nfs/dbraw/zinc/38/36/10/240383610.db2.gz VUGCONGWDJHWDL-GOSISDBHSA-N 2 0 326.488 2.888 10 30 EFEERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328981416 241283272 /nfs/dbraw/zinc/28/32/72/241283272.db2.gz DQZSSLWNVSRKEA-RYQLBKOJSA-N 2 0 347.507 2.634 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096166 217361170 /nfs/dbraw/zinc/36/11/70/217361170.db2.gz CTQQEMCLLJYAMW-QAPCUYQASA-N 2 0 328.460 2.549 10 30 EFEERP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000182948257 141378189 /nfs/dbraw/zinc/37/81/89/141378189.db2.gz TVNGFCPELIZIOD-UHFFFAOYSA-N 2 0 327.472 2.883 10 30 EFEERP N#Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397623214 268072356 /nfs/dbraw/zinc/07/23/56/268072356.db2.gz JTJYGBBRNHYUQZ-UHFFFAOYSA-N 2 0 341.480 2.736 10 30 EFEERP N#Cc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397623051 268254148 /nfs/dbraw/zinc/25/41/48/268254148.db2.gz JOZRFEMXLIKWJB-UHFFFAOYSA-N 2 0 335.451 2.675 10 30 EFEERP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262776538 276844447 /nfs/dbraw/zinc/84/44/47/276844447.db2.gz KEHWZWFZGKIWDO-HNNXBMFYSA-N 2 0 347.532 2.596 10 30 EFEERP CN1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000581339357 324354038 /nfs/dbraw/zinc/35/40/38/324354038.db2.gz UIXCSSWLAMOGLT-FPOVZHCZSA-N 2 0 348.450 2.922 10 30 EFEERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000177133566 473313729 /nfs/dbraw/zinc/31/37/29/473313729.db2.gz SOIYYXGERNRSBZ-MRXNPFEDSA-N 2 0 334.891 2.716 10 30 EFEERP N#CC1(c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000596978783 479517047 /nfs/dbraw/zinc/51/70/47/479517047.db2.gz CJDJLQHOZGDKGQ-UHFFFAOYSA-N 2 0 339.483 2.786 10 30 EFEERP N#Cc1ccc2ncc(C[NH2+]CCCCC[NH+]3CCCCC3)n2c1 ZINC000123749591 473180685 /nfs/dbraw/zinc/18/06/85/473180685.db2.gz SMWXGEHSPHLNIU-UHFFFAOYSA-N 2 0 325.460 2.952 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000175717739 474291228 /nfs/dbraw/zinc/29/12/28/474291228.db2.gz CLLXXJAYKHUBLN-HIFRSBDPSA-N 2 0 334.489 2.610 10 30 EFEERP Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C#N ZINC000310837546 474828471 /nfs/dbraw/zinc/82/84/71/474828471.db2.gz MZPDQXWKCNXPTO-CEWLAPEOSA-N 2 0 334.467 2.897 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000341096417 474970011 /nfs/dbraw/zinc/97/00/11/474970011.db2.gz JOWRCZDFYBACIU-IAGOWNOFSA-N 2 0 336.524 2.589 10 30 EFEERP O=C(NCc1cn2c(n1)CCCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329857652 475148474 /nfs/dbraw/zinc/14/84/74/475148474.db2.gz VOJIVWDIXQUDDK-QGZVFWFLSA-N 2 0 345.491 2.584 10 30 EFEERP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000358556666 475767664 /nfs/dbraw/zinc/76/76/64/475767664.db2.gz NBNHZVSVXYWSIG-KXBFYZLASA-N 2 0 332.467 2.620 10 30 EFEERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358576241 475781891 /nfs/dbraw/zinc/78/18/91/475781891.db2.gz SYJAJYCDEWQYLX-JKSUJKDBSA-N 2 0 332.467 2.622 10 30 EFEERP CNC(NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)=[NH+]C ZINC000363433152 476382508 /nfs/dbraw/zinc/38/25/08/476382508.db2.gz VWLNSNKLANREJT-ZFWWWQNUSA-N 2 0 342.409 2.883 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000429797244 476692273 /nfs/dbraw/zinc/69/22/73/476692273.db2.gz UUAIHQRYACQRGN-MAUKXSAKSA-N 2 0 328.460 2.549 10 30 EFEERP N#C[C@@H]1CCCC[C@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390878290 476807497 /nfs/dbraw/zinc/80/74/97/476807497.db2.gz UBVRPJOSYSVPKO-SLFFLAALSA-N 2 0 327.472 2.949 10 30 EFEERP CC(C)(CCC#N)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397578453 476858647 /nfs/dbraw/zinc/85/86/47/476858647.db2.gz DHPUDUGCHBMQDX-UHFFFAOYSA-N 2 0 329.488 2.933 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123591 476908335 /nfs/dbraw/zinc/90/83/35/476908335.db2.gz LHUYBUJBFMJGJX-AZUAARDMSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415128559 476909835 /nfs/dbraw/zinc/90/98/35/476909835.db2.gz SHQBAPZCEUYEFI-UYAOXDASSA-N 2 0 330.472 2.970 10 30 EFEERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C#N)cc1F ZINC000423523503 477062471 /nfs/dbraw/zinc/06/24/71/477062471.db2.gz VXUOPXWMRJNKRX-OOHWJJMZSA-N 2 0 330.451 2.564 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 ZINC000437102732 477671006 /nfs/dbraw/zinc/67/10/06/477671006.db2.gz HEKJXKCGGMMZCO-JYPHPWERSA-N 2 0 342.487 2.963 10 30 EFEERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000590645827 478273794 /nfs/dbraw/zinc/27/37/94/478273794.db2.gz VKCVENMQKBSWCL-GOSISDBHSA-N 2 0 340.515 2.660 10 30 EFEERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1cccs1 ZINC000594437715 478387621 /nfs/dbraw/zinc/38/76/21/478387621.db2.gz DPULPPQVHIZGCI-VYDXJSESSA-N 2 0 348.516 2.658 10 30 EFEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000594438566 478387849 /nfs/dbraw/zinc/38/78/49/478387849.db2.gz OKTNHJQBWJTSNN-LJQANCHMSA-N 2 0 342.487 2.521 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000594441095 478391384 /nfs/dbraw/zinc/39/13/84/478391384.db2.gz MNUCOJYJDGAFDV-IBGZPJMESA-N 2 0 342.487 2.700 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000594441141 478391412 /nfs/dbraw/zinc/39/14/12/478391412.db2.gz NQYQMIJABRYAQP-IBGZPJMESA-N 2 0 342.487 2.700 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000600713744 478480302 /nfs/dbraw/zinc/48/03/02/478480302.db2.gz DMIKAILRLKPENF-LJQANCHMSA-N 2 0 327.472 2.817 10 30 EFEERP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000600729697 478491623 /nfs/dbraw/zinc/49/16/23/478491623.db2.gz WWHQYKNMBROESA-RLLQIKCJSA-N 2 0 341.499 2.931 10 30 EFEERP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000600729684 478492128 /nfs/dbraw/zinc/49/21/28/478492128.db2.gz WWHQYKNMBROESA-HOJAQTOUSA-N 2 0 341.499 2.931 10 30 EFEERP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594922989 478587392 /nfs/dbraw/zinc/58/73/92/478587392.db2.gz WKUXIQPSZYBGRC-UHFFFAOYSA-N 2 0 340.515 2.605 10 30 EFEERP Cn1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000594959197 478604430 /nfs/dbraw/zinc/60/44/30/478604430.db2.gz AUJVXPZIWUHTGT-GOSISDBHSA-N 2 0 337.471 2.921 10 30 EFEERP N#Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000594973552 478614306 /nfs/dbraw/zinc/61/43/06/478614306.db2.gz FVXANYKIFMAPMQ-LJQANCHMSA-N 2 0 339.414 2.554 10 30 EFEERP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405543 479286195 /nfs/dbraw/zinc/28/61/95/479286195.db2.gz YOAGXXIGODPVRC-SJORKVTESA-N 2 0 347.528 2.865 10 30 EFEERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178975 480217359 /nfs/dbraw/zinc/21/73/59/480217359.db2.gz XKIQUISBBPELDH-UHFFFAOYSA-N 2 0 328.504 2.557 10 30 EFEERP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000651699132 481909238 /nfs/dbraw/zinc/90/92/38/481909238.db2.gz HYHWJEFHWZYVLS-QFBILLFUSA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCC[NH2+]1 ZINC000662669033 481924960 /nfs/dbraw/zinc/92/49/60/481924960.db2.gz NECXRVTXPYNLEJ-OAQYLSRUSA-N 2 0 341.499 2.987 10 30 EFEERP C=CC[C@]1(C(=O)NCc2ccccc2C[NH+](CC)CC)CCC[NH2+]1 ZINC000662668789 481925035 /nfs/dbraw/zinc/92/50/35/481925035.db2.gz IXQVIBUILFLKOF-HXUWFJFHSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673608 481927840 /nfs/dbraw/zinc/92/78/40/481927840.db2.gz NCWJKBQJVAFDEB-NRFANRHFSA-N 2 0 341.499 2.728 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC[NH2+]1 ZINC000662697877 481939982 /nfs/dbraw/zinc/93/99/82/481939982.db2.gz DPJYHEOTZGXMNP-UYAOXDASSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000662719033 481946766 /nfs/dbraw/zinc/94/67/66/481946766.db2.gz VLBDWYIWPPUWMI-FBBABVLZSA-N 2 0 341.499 2.854 10 30 EFEERP C=CC[C@@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750706 481957871 /nfs/dbraw/zinc/95/78/71/481957871.db2.gz DPRQCCACSZOUQX-PXNSSMCTSA-N 2 0 329.488 2.712 10 30 EFEERP C=CC[C@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000662772661 481964818 /nfs/dbraw/zinc/96/48/18/481964818.db2.gz CPAFTZLRXRXLMS-OAHLLOKOSA-N 2 0 327.350 2.801 10 30 EFEERP C=CC[C@@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000662772660 481965188 /nfs/dbraw/zinc/96/51/88/481965188.db2.gz CPAFTZLRXRXLMS-HNNXBMFYSA-N 2 0 327.350 2.801 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662796794 481973609 /nfs/dbraw/zinc/97/36/09/481973609.db2.gz RAQZRJMGCNSBGB-FQEVSTJZSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](C)[NH+](C)C ZINC000358863669 534440315 /nfs/dbraw/zinc/44/03/15/534440315.db2.gz JHVXIOLHHOQAHB-OAHLLOKOSA-N 2 0 337.537 2.535 10 30 EFEERP C=CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000179516059 526896449 /nfs/dbraw/zinc/89/64/49/526896449.db2.gz FTHBMZFJRFPBFI-QGZVFWFLSA-N 2 0 332.488 2.776 10 30 EFEERP CC[NH+](CC)[C@@H](C)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181448948 528233048 /nfs/dbraw/zinc/23/30/48/528233048.db2.gz AGJZJDCAVKMTKT-KRWDZBQOSA-N 2 0 328.504 2.843 10 30 EFEERP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261961260 535263225 /nfs/dbraw/zinc/26/32/25/535263225.db2.gz KGIOXUSTSVCJST-DOTOQJQBSA-N 2 0 344.503 2.938 10 30 EFEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261983639 535597465 /nfs/dbraw/zinc/59/74/65/535597465.db2.gz JCJDDRHRJRZKGG-JTQLQIEISA-N 2 0 335.304 2.944 10 30 EFEERP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457658 550154284 /nfs/dbraw/zinc/15/42/84/550154284.db2.gz IQOJEEJSIAKKTE-HXUWFJFHSA-N 2 0 343.515 2.852 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001691935182 1249062566 /nfs/dbraw/zinc/06/25/66/1249062566.db2.gz BQLCQNOVOICEMP-LSDHHAIUSA-N 2 0 349.441 2.519 10 30 EFEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001691445691 1249137973 /nfs/dbraw/zinc/13/79/73/1249137973.db2.gz KEOAJXQXLNBJAA-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691789784 1249223487 /nfs/dbraw/zinc/22/34/87/1249223487.db2.gz AZKJHKMIMXJXHV-HKUYNNGSSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691075933 1248363160 /nfs/dbraw/zinc/36/31/60/1248363160.db2.gz WCSPCIDSGJQKOY-OALUTQOASA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691162060 1248494711 /nfs/dbraw/zinc/49/47/11/1248494711.db2.gz TYXRXAKZJNSRKT-LNLFQRSKSA-N 2 0 333.520 2.844 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001691170981 1248501276 /nfs/dbraw/zinc/50/12/76/1248501276.db2.gz KYGQUSRHQPTLJU-GOSISDBHSA-N 2 0 347.547 2.596 10 30 EFEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691225878 1248552093 /nfs/dbraw/zinc/55/20/93/1248552093.db2.gz IPXIJOUTHOKGTB-IPMKNSEASA-N 2 0 345.531 2.539 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691276868 1248590048 /nfs/dbraw/zinc/59/00/48/1248590048.db2.gz GSAFELYREOZZRU-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccc(C(C)C)cc1 ZINC001691772802 1248638932 /nfs/dbraw/zinc/63/89/32/1248638932.db2.gz PUOHXCLPHDPPAW-LJQANCHMSA-N 2 0 329.488 2.530 10 30 EFEERP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344042 1250438941 /nfs/dbraw/zinc/43/89/41/1250438941.db2.gz AICFOLULDSTBEJ-UHFFFAOYSA-N 2 0 342.483 2.679 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001691587028 1251796017 /nfs/dbraw/zinc/79/60/17/1251796017.db2.gz WPTSSBBIXBOFOF-MOPGFXCFSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001691586786 1251796037 /nfs/dbraw/zinc/79/60/37/1251796037.db2.gz RPWYYMRZALHNMG-MOPGFXCFSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691620932 1251839594 /nfs/dbraw/zinc/83/95/94/1251839594.db2.gz MJHNAVAWHQUNMT-IPMKNSEASA-N 2 0 335.536 2.949 10 30 EFEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484121691 1252296330 /nfs/dbraw/zinc/29/63/30/1252296330.db2.gz HCYMHHSDMFPJDS-QUCCMNQESA-N 2 0 329.488 2.694 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1CC ZINC001484323070 1252391939 /nfs/dbraw/zinc/39/19/39/1252391939.db2.gz KEVQUCHJCSSBEG-HXUWFJFHSA-N 2 0 343.515 2.914 10 30 EFEERP C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001484323329 1252393401 /nfs/dbraw/zinc/39/34/01/1252393401.db2.gz KEXBSFVDERBVJE-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP CCCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484354031 1252446682 /nfs/dbraw/zinc/44/66/82/1252446682.db2.gz VPEOOCDLGYQJGS-ZWKOTPCHSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001484371076 1252464965 /nfs/dbraw/zinc/46/49/65/1252464965.db2.gz GZBZIYQOKIFURO-GOEBONIOSA-N 2 0 326.444 2.517 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001484770336 1252936840 /nfs/dbraw/zinc/93/68/40/1252936840.db2.gz CKVJQMCRXVYDIQ-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001485824094 1255323074 /nfs/dbraw/zinc/32/30/74/1255323074.db2.gz GYISGBNIMVJJIY-SJORKVTESA-N 2 0 341.927 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC/C=C\CC)CC1 ZINC001273025220 1266117693 /nfs/dbraw/zinc/11/76/93/1266117693.db2.gz LDSAQGLAILFALE-KKHYBRAUSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001272805332 1258193347 /nfs/dbraw/zinc/19/33/47/1258193347.db2.gz OVEUYQFSHYZRGF-ROUUACIJSA-N 2 0 335.536 2.852 10 30 EFEERP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001670919576 1258634446 /nfs/dbraw/zinc/63/44/46/1258634446.db2.gz WTSNWKMRWXHLQW-LJQANCHMSA-N 2 0 347.547 2.548 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001272810352 1259157596 /nfs/dbraw/zinc/15/75/96/1259157596.db2.gz HRCFPNBRMZFEHT-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001670968920 1259161664 /nfs/dbraw/zinc/16/16/64/1259161664.db2.gz FNRPGLBIKBPJGL-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC=C)C2CCCCCC2)CC1 ZINC001670980741 1259282666 /nfs/dbraw/zinc/28/26/66/1259282666.db2.gz YWJCFBCEYJUJAM-UHFFFAOYSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001670984928 1259311444 /nfs/dbraw/zinc/31/14/44/1259311444.db2.gz IMCBRUXPMUGDHD-IBGZPJMESA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001670989001 1259345253 /nfs/dbraw/zinc/34/52/53/1259345253.db2.gz DRMHREWYRYCXLX-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001671045191 1259936034 /nfs/dbraw/zinc/93/60/34/1259936034.db2.gz RJYWNNUBRKDUPC-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923501892 1261799630 /nfs/dbraw/zinc/79/96/30/1261799630.db2.gz WPGXLJPPGYYGTE-HRCADAONSA-N 2 0 335.517 2.568 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001486094270 1262617855 /nfs/dbraw/zinc/61/78/55/1262617855.db2.gz YDKZHURYUXLEBX-QFBILLFUSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001486205090 1262789933 /nfs/dbraw/zinc/78/99/33/1262789933.db2.gz ALJGNHBISDJNOF-MSOLQXFVSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001486248968 1262853569 /nfs/dbraw/zinc/85/35/69/1262853569.db2.gz BYKHZTSSHYBXOX-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001486399175 1262997171 /nfs/dbraw/zinc/99/71/71/1262997171.db2.gz IYPJWESCFGLAGU-RRFJBIMHSA-N 2 0 329.916 2.590 10 30 EFEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001486490115 1263234198 /nfs/dbraw/zinc/23/41/98/1263234198.db2.gz HNNJKRGBUGVLAY-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001486523751 1263324510 /nfs/dbraw/zinc/32/45/10/1263324510.db2.gz DBAKQGUFJBRAQF-GOSISDBHSA-N 2 0 347.478 2.982 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001486523752 1263326026 /nfs/dbraw/zinc/32/60/26/1263326026.db2.gz DBAKQGUFJBRAQF-SFHVURJKSA-N 2 0 347.478 2.982 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC001486524514 1263328182 /nfs/dbraw/zinc/32/81/82/1263328182.db2.gz HAVLSRIHCQPXJI-RDJZCZTQSA-N 2 0 347.478 2.838 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)c(F)c1 ZINC001486525528 1263331482 /nfs/dbraw/zinc/33/14/82/1263331482.db2.gz NGYPWTYQAJOBHL-HKUYNNGSSA-N 2 0 345.462 2.734 10 30 EFEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001691663620 1264357938 /nfs/dbraw/zinc/35/79/38/1264357938.db2.gz TXJWOHFJHTZDQY-LPHOPBHVSA-N 2 0 333.520 2.511 10 30 EFEERP N#Cc1ccc(Br)c(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000922138314 1264490661 /nfs/dbraw/zinc/49/06/61/1264490661.db2.gz JEPCOCWPCHGFIU-LBPRGKRZSA-N 2 0 331.217 2.691 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001144203867 1279259677 /nfs/dbraw/zinc/25/96/77/1279259677.db2.gz FNUQYPYKISOUAU-MOPGFXCFSA-N 2 0 335.536 2.922 10 30 EFEERP C=CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001671081784 1280969505 /nfs/dbraw/zinc/96/95/05/1280969505.db2.gz XJMGHUAZTYDNDW-FQEVSTJZSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085316 1281423244 /nfs/dbraw/zinc/42/32/44/1281423244.db2.gz OFQQMARERNFCIM-FPOVZHCZSA-N 2 0 347.547 2.997 10 30 EFEERP C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC001175768206 1287547258 /nfs/dbraw/zinc/54/72/58/1287547258.db2.gz KZYXJOIQIUZZOK-KRWDZBQOSA-N 2 0 336.439 2.933 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001135832233 1288456734 /nfs/dbraw/zinc/45/67/34/1288456734.db2.gz JBAQILOBVFYWPG-QGZVFWFLSA-N 2 0 335.879 2.711 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903460403 1312715401 /nfs/dbraw/zinc/71/54/01/1312715401.db2.gz ATEIIECNBZVQJF-BJLQDIEVSA-N 2 0 327.472 2.893 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000876555242 1290940495 /nfs/dbraw/zinc/94/04/95/1290940495.db2.gz QXAXXCQYQVGFCJ-OAHLLOKOSA-N 2 0 327.900 2.761 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000876745728 1291001311 /nfs/dbraw/zinc/00/13/11/1291001311.db2.gz KSQUOYIZZKHLNY-CQSZACIVSA-N 2 0 336.867 2.601 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000876768990 1291015418 /nfs/dbraw/zinc/01/54/18/1291015418.db2.gz ORQYONROPLHJFL-OAHLLOKOSA-N 2 0 334.851 2.611 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001273607069 1292289196 /nfs/dbraw/zinc/28/91/96/1292289196.db2.gz IAIVWJWKUJIWKT-WOJBJXKFSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883186206 1293498451 /nfs/dbraw/zinc/49/84/51/1293498451.db2.gz NOYAUIOJZHOMGW-HFSMHLIXSA-N 2 0 343.515 2.550 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001276447047 1313098029 /nfs/dbraw/zinc/09/80/29/1313098029.db2.gz CWMLKKOVXQQSID-IAGOWNOFSA-N 2 0 335.536 2.898 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001273795238 1295814857 /nfs/dbraw/zinc/81/48/57/1295814857.db2.gz BEJSBYOBXCCVMV-LJQANCHMSA-N 2 0 341.499 2.673 10 30 EFEERP C=CC[NH2+]C1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001274357111 1296072432 /nfs/dbraw/zinc/07/24/32/1296072432.db2.gz PBYYSWGAJOMLDR-UHFFFAOYSA-N 2 0 329.488 2.561 10 30 EFEERP C#CC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000928657931 1297121804 /nfs/dbraw/zinc/12/18/04/1297121804.db2.gz FPHIMZUMROFFOB-UHFFFAOYSA-N 2 0 341.499 2.744 10 30 EFEERP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903887065 1313353007 /nfs/dbraw/zinc/35/30/07/1313353007.db2.gz XAWZZDMAVGEVGK-SFHVURJKSA-N 2 0 342.487 2.543 10 30 EFEERP N#Cc1cccc(CN2CCC([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903931180 1313436845 /nfs/dbraw/zinc/43/68/45/1313436845.db2.gz AJGYJPMPOUPAAM-VCSGRIEYSA-N 2 0 338.499 2.643 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001490281740 1298706478 /nfs/dbraw/zinc/70/64/78/1298706478.db2.gz MRHWPELOZNNWNK-UHFFFAOYSA-N 2 0 335.536 2.596 10 30 EFEERP C=CCCC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001490682558 1299085455 /nfs/dbraw/zinc/08/54/55/1299085455.db2.gz MMFPIXFZZFBZAQ-GOSISDBHSA-N 2 0 326.444 2.707 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765082 1299212708 /nfs/dbraw/zinc/21/27/08/1299212708.db2.gz BYNGJJIAJDWBOT-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490776865 1299241628 /nfs/dbraw/zinc/24/16/28/1299241628.db2.gz NQMPOBMIYBWIFV-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001490793693 1299261845 /nfs/dbraw/zinc/26/18/45/1299261845.db2.gz JVLNQQAFGYTHIC-CADBVGFASA-N 2 0 333.520 2.891 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC(CC)CC)CC1 ZINC001278177692 1313747275 /nfs/dbraw/zinc/74/72/75/1313747275.db2.gz XRNWPFUUVAKNAX-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001278240445 1313830487 /nfs/dbraw/zinc/83/04/87/1313830487.db2.gz BUTZOYNHEVYOOH-PMACEKPBSA-N 2 0 345.531 2.681 10 30 EFEERP C=CC[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870019583 1305088010 /nfs/dbraw/zinc/08/80/10/1305088010.db2.gz JOWCNEIIIBEATN-AQNXPRMDSA-N 2 0 343.515 2.544 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000900288338 1307892888 /nfs/dbraw/zinc/89/28/88/1307892888.db2.gz UTQAVHJZJKSROR-UHFFFAOYSA-N 2 0 344.503 2.663 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000900404476 1308131319 /nfs/dbraw/zinc/13/13/19/1308131319.db2.gz HOJZWZPROLXYRT-IBGZPJMESA-N 2 0 329.488 2.665 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900406373 1308133328 /nfs/dbraw/zinc/13/33/28/1308133328.db2.gz HRWAZEZJEQSKHC-LJQANCHMSA-N 2 0 329.488 2.523 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000900972896 1309082055 /nfs/dbraw/zinc/08/20/55/1309082055.db2.gz CUKUWYAFPCKAMW-HKUYNNGSSA-N 2 0 329.488 2.664 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359901 1310224556 /nfs/dbraw/zinc/22/45/56/1310224556.db2.gz HBAARXPOLQNVQJ-HKUYNNGSSA-N 2 0 329.488 2.521 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001276842242 1311189480 /nfs/dbraw/zinc/18/94/80/1311189480.db2.gz ZMBRCMUMTHHCQK-ZCNNSNEGSA-N 2 0 347.547 2.901 10 30 EFEERP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001276912319 1311293306 /nfs/dbraw/zinc/29/33/06/1311293306.db2.gz GBSBRUMHISJDAE-BGYRXZFFSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285833 1311919658 /nfs/dbraw/zinc/91/96/58/1311919658.db2.gz QYIXRDOFGYDOPM-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283651 1311923226 /nfs/dbraw/zinc/92/32/26/1311923226.db2.gz GQWHFIUIIOBQCM-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001277286391 1311924338 /nfs/dbraw/zinc/92/43/38/1311924338.db2.gz YYVDGLWQEZXXSC-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@]1(C)CCCCO1 ZINC000902740468 1312066915 /nfs/dbraw/zinc/06/69/15/1312066915.db2.gz VCCKVHVSIRLNAY-UXHICEINSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@]1(C)CCCCO1 ZINC000902745050 1312071000 /nfs/dbraw/zinc/07/10/00/1312071000.db2.gz KHKLPKINZAXTMW-VQTJNVASSA-N 2 0 337.552 2.898 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@]1(C)CCCCO1 ZINC000902745048 1312071135 /nfs/dbraw/zinc/07/11/35/1312071135.db2.gz KHKLPKINZAXTMW-UXHICEINSA-N 2 0 337.552 2.898 10 30 EFEERP C#CCC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001277375359 1312076517 /nfs/dbraw/zinc/07/65/17/1312076517.db2.gz ATQQEVOJXBPXFU-IBGZPJMESA-N 2 0 335.536 2.737 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001277388553 1312098180 /nfs/dbraw/zinc/09/81/80/1312098180.db2.gz PEQZEOJYMHOWBC-LJQANCHMSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902789131 1312108527 /nfs/dbraw/zinc/10/85/27/1312108527.db2.gz CIJPQARLGKUMDK-AABGKKOBSA-N 2 0 337.552 2.754 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902789134 1312108572 /nfs/dbraw/zinc/10/85/72/1312108572.db2.gz CIJPQARLGKUMDK-UFYCRDLUSA-N 2 0 337.552 2.754 10 30 EFEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001277398222 1312112317 /nfs/dbraw/zinc/11/23/17/1312112317.db2.gz GLGNJNLOVHATDV-FQEVSTJZSA-N 2 0 345.531 2.587 10 30 EFEERP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cc(C#N)ccn1 ZINC000902794716 1312113314 /nfs/dbraw/zinc/11/33/14/1312113314.db2.gz YKXDKMKEQGMPIC-MRXNPFEDSA-N 2 0 338.455 2.787 10 30 EFEERP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc(C#N)ccn1 ZINC000903086955 1312340990 /nfs/dbraw/zinc/34/09/90/1312340990.db2.gz CRFCRCJKQQHEAO-INIZCTEOSA-N 2 0 335.455 2.556 10 30 EFEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001277473880 1312400006 /nfs/dbraw/zinc/40/00/06/1312400006.db2.gz LNMGAZIUPAKTHW-ICSRJNTNSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001276700048 1314522896 /nfs/dbraw/zinc/52/28/96/1314522896.db2.gz HFFMBNSJDVBDIB-OKYOBFRVSA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCC)[C@H](CC)C2)CC1 ZINC001276773164 1315154994 /nfs/dbraw/zinc/15/49/94/1315154994.db2.gz RRQIKXDVFIPKJQ-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001278580269 1315223831 /nfs/dbraw/zinc/22/38/31/1315223831.db2.gz OXLXPJDIWGULDR-MSOLQXFVSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278613365 1315293722 /nfs/dbraw/zinc/29/37/22/1315293722.db2.gz KVQCDYOAYUJMRS-IEBWSBKVSA-N 2 0 347.547 2.642 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CC=C(C)C)CC2)CC1 ZINC001278636977 1315376464 /nfs/dbraw/zinc/37/64/64/1315376464.db2.gz PPBDIZFDTVNUFR-UHFFFAOYSA-N 2 0 345.531 2.516 10 30 EFEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001278674006 1315475525 /nfs/dbraw/zinc/47/55/25/1315475525.db2.gz XMKBNULSZRMQJJ-FQEVSTJZSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[N@@H+](C)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001278911476 1315904735 /nfs/dbraw/zinc/90/47/35/1315904735.db2.gz ABSYYYGXESCVKK-UHFFFAOYSA-N 2 0 341.459 2.626 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C ZINC001278972650 1316004449 /nfs/dbraw/zinc/00/44/49/1316004449.db2.gz GMZDVSVLHKHURO-RBUKOAKNSA-N 2 0 347.547 2.785 10 30 EFEERP C=CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001281055372 1316193704 /nfs/dbraw/zinc/19/37/04/1316193704.db2.gz FKEDWZMRDRUGTH-HXUWFJFHSA-N 2 0 347.547 2.903 10 30 EFEERP C=CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001279105062 1316267581 /nfs/dbraw/zinc/26/75/81/1316267581.db2.gz SLLGLIAXIHDYOF-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001261261604 1316399598 /nfs/dbraw/zinc/39/95/98/1316399598.db2.gz FLLLSHHUBUZQNP-MOPGFXCFSA-N 2 0 333.520 2.748 10 30 EFEERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001261435928 1316412216 /nfs/dbraw/zinc/41/22/16/1316412216.db2.gz KREPPDCLQLYOSY-UHFFFAOYSA-N 2 0 328.460 2.598 10 30 EFEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001264474730 1316618663 /nfs/dbraw/zinc/61/86/63/1316618663.db2.gz HXKKBBFUPRCKPZ-NLWGTHIKSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001264481721 1316619484 /nfs/dbraw/zinc/61/94/84/1316619484.db2.gz ZYVHYMAMSUQPEN-YTQUADARSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001264596227 1316639304 /nfs/dbraw/zinc/63/93/04/1316639304.db2.gz MNIYRXCQFGBKOH-RTBURBONSA-N 2 0 347.478 2.628 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001264677891 1316653456 /nfs/dbraw/zinc/65/34/56/1316653456.db2.gz KTMCJFAOUNJISA-QGZVFWFLSA-N 2 0 338.455 2.640 10 30 EFEERP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001281087941 1316681099 /nfs/dbraw/zinc/68/10/99/1316681099.db2.gz OQKQDDLQHRWJJY-PKOBYXMFSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001265196007 1316749859 /nfs/dbraw/zinc/74/98/59/1316749859.db2.gz UYYNQXWRWIDMLQ-BZSNNMDCSA-N 2 0 335.536 2.994 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265290338 1316773657 /nfs/dbraw/zinc/77/36/57/1316773657.db2.gz NHNVWHYJMIKMOG-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001265327260 1316782510 /nfs/dbraw/zinc/78/25/10/1316782510.db2.gz DNPQXUDJOMBQLH-FUHWJXTLSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001265329876 1316783609 /nfs/dbraw/zinc/78/36/09/1316783609.db2.gz OPOVHVQULZTWGL-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001265340830 1316786197 /nfs/dbraw/zinc/78/61/97/1316786197.db2.gz DATUOTYXGCHXLH-HKUYNNGSSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001265407292 1316800965 /nfs/dbraw/zinc/80/09/65/1316800965.db2.gz WXDXNIXJTXHKGK-AKHDSKFASA-N 2 0 333.520 2.891 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265624102 1316837302 /nfs/dbraw/zinc/83/73/02/1316837302.db2.gz LAZURKDHIRBVTM-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001265624103 1316837453 /nfs/dbraw/zinc/83/74/53/1316837453.db2.gz LAZURKDHIRBVTM-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001265704823 1316862677 /nfs/dbraw/zinc/86/26/77/1316862677.db2.gz ALQIKFZBWLZKER-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705511 1316863282 /nfs/dbraw/zinc/86/32/82/1316863282.db2.gz JXSFZKLWJAHWQV-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001265990139 1316941168 /nfs/dbraw/zinc/94/11/68/1316941168.db2.gz NPXIPFBSCVSGSZ-INIZCTEOSA-N 2 0 326.444 2.661 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001266066577 1316994038 /nfs/dbraw/zinc/99/40/38/1316994038.db2.gz CVSPERKMLUHYOC-WOJBJXKFSA-N 2 0 343.515 2.754 10 30 EFEERP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001266078653 1317002225 /nfs/dbraw/zinc/00/22/25/1317002225.db2.gz KBVAWQMXKXBVFA-DLBZAZTESA-N 2 0 345.487 2.775 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001279281746 1317224781 /nfs/dbraw/zinc/22/47/81/1317224781.db2.gz NUWOCFPHMJNDJB-NCXUSEDFSA-N 2 0 335.536 2.805 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001279605559 1317323676 /nfs/dbraw/zinc/32/36/76/1317323676.db2.gz HJFQEURHXYUDGU-IPMKNSEASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001318761831 1328692743 /nfs/dbraw/zinc/69/27/43/1328692743.db2.gz WQHMSTPUPJJYDZ-PXNSSMCTSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001318761833 1328692754 /nfs/dbraw/zinc/69/27/54/1328692754.db2.gz WQHMSTPUPJJYDZ-XLIONFOSSA-N 2 0 335.536 2.949 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)c(F)c1 ZINC001279716000 1317368481 /nfs/dbraw/zinc/36/84/81/1317368481.db2.gz LWCRGIVXCJKXGQ-GOSISDBHSA-N 2 0 347.478 2.840 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318822836 1328711357 /nfs/dbraw/zinc/71/13/57/1328711357.db2.gz UPDMJTXHFWXMOR-INIZCTEOSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001281015626 1317969282 /nfs/dbraw/zinc/96/92/82/1317969282.db2.gz GXLRDCQTVDGMED-MRXNPFEDSA-N 2 0 327.488 2.603 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001318897564 1328735581 /nfs/dbraw/zinc/73/55/81/1328735581.db2.gz VVJKDJQKUIQDML-UHFFFAOYSA-N 2 0 347.528 2.665 10 30 EFEERP C=CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001281063384 1318004541 /nfs/dbraw/zinc/00/45/41/1318004541.db2.gz OYSVOWIFVVCUEG-HXUWFJFHSA-N 2 0 341.499 2.590 10 30 EFEERP C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001281072162 1318006488 /nfs/dbraw/zinc/00/64/88/1318006488.db2.gz NGHMRZLZSAVHPZ-FQEVSTJZSA-N 2 0 341.499 2.592 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001318915487 1328740148 /nfs/dbraw/zinc/74/01/48/1328740148.db2.gz RZLPNPUDFLTSDX-UHFFFAOYSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001318976338 1328754571 /nfs/dbraw/zinc/75/45/71/1328754571.db2.gz MBEIYNLIEFWBBV-VJANTYMQSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001281906418 1318620956 /nfs/dbraw/zinc/62/09/56/1318620956.db2.gz WNXFRESMJFBJLA-RTBURBONSA-N 2 0 341.499 2.809 10 30 EFEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001281912614 1318623665 /nfs/dbraw/zinc/62/36/65/1318623665.db2.gz PORJDKPKZVVXHM-AQNXPRMDSA-N 2 0 341.499 2.665 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001281975849 1318642320 /nfs/dbraw/zinc/64/23/20/1318642320.db2.gz QVQRIWMOEMCQRE-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001281975848 1318642569 /nfs/dbraw/zinc/64/25/69/1318642569.db2.gz QVQRIWMOEMCQRE-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001282059428 1318691692 /nfs/dbraw/zinc/69/16/92/1318691692.db2.gz ZWMHZIQSBFCPCL-RJYAGPCLSA-N 2 0 339.499 2.650 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001319144146 1328789708 /nfs/dbraw/zinc/78/97/08/1328789708.db2.gz BFNYMJYKLYJDLP-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](CCC)CCC)CC2 ZINC001319145140 1328790602 /nfs/dbraw/zinc/79/06/02/1328790602.db2.gz OKCCADPPJUPDIK-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001282567096 1319000565 /nfs/dbraw/zinc/00/05/65/1319000565.db2.gz GBRTXFYRCBUFME-OALUTQOASA-N 2 0 335.536 2.737 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001282623505 1319035057 /nfs/dbraw/zinc/03/50/57/1319035057.db2.gz CBXUCCRPMSMLNJ-SFHVURJKSA-N 2 0 333.520 2.683 10 30 EFEERP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001282713850 1319088862 /nfs/dbraw/zinc/08/88/62/1319088862.db2.gz AVKHSIXAFACIKL-VQIMIIECSA-N 2 0 335.536 2.735 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001283912801 1320088906 /nfs/dbraw/zinc/08/89/06/1320088906.db2.gz FABATMGMMXVDBM-FXAWDEMLSA-N 2 0 343.515 2.950 10 30 EFEERP C=CC[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC001319403821 1328874384 /nfs/dbraw/zinc/87/43/84/1328874384.db2.gz WSXWARNFKOHZJN-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001284101666 1320195684 /nfs/dbraw/zinc/19/56/84/1320195684.db2.gz KKIRBIOYNXQPEZ-CEXWTWQISA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001319412198 1328877227 /nfs/dbraw/zinc/87/72/27/1328877227.db2.gz MBGDTYLPJQHCHG-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242097 1320282951 /nfs/dbraw/zinc/28/29/51/1320282951.db2.gz DMYCVKFIEOLADE-QUCCMNQESA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001284371431 1320343957 /nfs/dbraw/zinc/34/39/57/1320343957.db2.gz ISNUISVCYXKDOO-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001284534153 1320407530 /nfs/dbraw/zinc/40/75/30/1320407530.db2.gz XTODNVUGYLVLFF-HKUYNNGSSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001284853283 1320562548 /nfs/dbraw/zinc/56/25/48/1320562548.db2.gz PCRJBJDEEOIHRW-IRXDYDNUSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316644400 1321568849 /nfs/dbraw/zinc/56/88/49/1321568849.db2.gz PGFVRRJHKIABKF-XUVXKRRUSA-N 2 0 343.515 2.733 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001319792279 1328992219 /nfs/dbraw/zinc/99/22/19/1328992219.db2.gz PUHDKARZXYLEMV-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001319831533 1329006938 /nfs/dbraw/zinc/00/69/38/1329006938.db2.gz KNCMCAWMZADMQQ-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001319831529 1329007336 /nfs/dbraw/zinc/00/73/36/1329007336.db2.gz KNCMCAWMZADMQQ-ICSRJNTNSA-N 2 0 345.531 2.515 10 30 EFEERP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001319867559 1329022025 /nfs/dbraw/zinc/02/20/25/1329022025.db2.gz FUXNCEXWALCLSC-YLJYHZDGSA-N 2 0 341.499 2.602 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001320184575 1329102088 /nfs/dbraw/zinc/10/20/88/1329102088.db2.gz PVYQKLFLXYXOLD-MOPGFXCFSA-N 2 0 329.488 2.812 10 30 EFEERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC#Cc1ccccc1 ZINC001491612743 1323747379 /nfs/dbraw/zinc/74/73/79/1323747379.db2.gz YTKURIWLWABSSF-SFHVURJKSA-N 2 0 349.478 2.508 10 30 EFEERP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001491953220 1324069123 /nfs/dbraw/zinc/06/91/23/1324069123.db2.gz WDOWJMOSXPKGAS-FQEVSTJZSA-N 2 0 343.515 2.660 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001316718286 1325045102 /nfs/dbraw/zinc/04/51/02/1325045102.db2.gz BRFARPHPNVQZRZ-QRQLOZEOSA-N 2 0 333.520 2.652 10 30 EFEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001316714518 1325092218 /nfs/dbraw/zinc/09/22/18/1325092218.db2.gz UOMVNNSTBZTINM-VAMGGRTRSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001317005035 1325475262 /nfs/dbraw/zinc/47/52/62/1325475262.db2.gz DMIUWAVSSMAAKP-HXUWFJFHSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099795 1325563644 /nfs/dbraw/zinc/56/36/44/1325563644.db2.gz JVMBDHUFQUZJTL-UXHICEINSA-N 2 0 345.531 2.589 10 30 EFEERP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317100185 1325566607 /nfs/dbraw/zinc/56/66/07/1325566607.db2.gz OAOYHJXFHMSMSY-OALUTQOASA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102246 1325568594 /nfs/dbraw/zinc/56/85/94/1325568594.db2.gz AUSRBVDSQUYIAF-PMACEKPBSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102249 1325568850 /nfs/dbraw/zinc/56/88/50/1325568850.db2.gz AUSRBVDSQUYIAF-WOJBJXKFSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208787 1327746732 /nfs/dbraw/zinc/74/67/32/1327746732.db2.gz NRXJRARBAWKXHH-PMACEKPBSA-N 2 0 345.531 2.731 10 30 EFEERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC#Cc1ccccc1 ZINC001317293543 1327827472 /nfs/dbraw/zinc/82/74/72/1327827472.db2.gz HBZPEGPQOLCBBG-SFHVURJKSA-N 2 0 349.478 2.508 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317323236 1327852906 /nfs/dbraw/zinc/85/29/06/1327852906.db2.gz UERCRXJUIBEVOA-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317358099 1327891828 /nfs/dbraw/zinc/89/18/28/1327891828.db2.gz MGZGPCKMAHUGPQ-SJORKVTESA-N 2 0 333.520 2.680 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)CC2CC(C)(C)C2)CC1 ZINC001317546096 1328129610 /nfs/dbraw/zinc/12/96/10/1328129610.db2.gz MQONTDKAJKYMEW-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001317721775 1328332362 /nfs/dbraw/zinc/33/23/62/1328332362.db2.gz XRPXQEBJDQNBOM-GOSISDBHSA-N 2 0 327.472 2.638 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001322532186 1329465537 /nfs/dbraw/zinc/46/55/37/1329465537.db2.gz VJTMYPNBMMFHPU-UHFFFAOYSA-N 2 0 329.897 2.614 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001323258591 1329528189 /nfs/dbraw/zinc/52/81/89/1329528189.db2.gz NSAALPMBVRBBIV-RHSMWYFYSA-N 2 0 326.444 2.802 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001323540449 1329550323 /nfs/dbraw/zinc/55/03/23/1329550323.db2.gz CUHBCNZVAGSJHP-BEFAXECRSA-N 2 0 339.499 2.792 10 30 EFEERP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001323637358 1329556873 /nfs/dbraw/zinc/55/68/73/1329556873.db2.gz KXBIOARYMHODOE-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001323643010 1329558203 /nfs/dbraw/zinc/55/82/03/1329558203.db2.gz OSROERJPIYFXJS-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001323644745 1329558725 /nfs/dbraw/zinc/55/87/25/1329558725.db2.gz WNVYLIOHVJMLJQ-WOJBJXKFSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001323709238 1329563962 /nfs/dbraw/zinc/56/39/62/1329563962.db2.gz XTWZQGLTXOPAJL-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001323733940 1329566465 /nfs/dbraw/zinc/56/64/65/1329566465.db2.gz PLCXJXIHBQCNCC-LJQANCHMSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001323832286 1329576279 /nfs/dbraw/zinc/57/62/79/1329576279.db2.gz MYVVMKFWFZPDBA-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001323833161 1329576439 /nfs/dbraw/zinc/57/64/39/1329576439.db2.gz VZIIDJMNVPHQGW-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCCC(C)C)CC1 ZINC001324419778 1329625500 /nfs/dbraw/zinc/62/55/00/1329625500.db2.gz FKEBPWJPQZYPDG-LJQANCHMSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC(=C)C)CC1 ZINC001324425966 1329626150 /nfs/dbraw/zinc/62/61/50/1329626150.db2.gz COZHZMHSSNNOID-LJQANCHMSA-N 2 0 345.531 2.753 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001324440237 1329627730 /nfs/dbraw/zinc/62/77/30/1329627730.db2.gz BSAIIYMJLYZWEG-WOJBJXKFSA-N 2 0 337.467 2.867 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001324507789 1329634337 /nfs/dbraw/zinc/63/43/37/1329634337.db2.gz XIGWQSCSWAOSJE-LJQANCHMSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001325597767 1329699759 /nfs/dbraw/zinc/69/97/59/1329699759.db2.gz GCYDJHYPSDBFKL-DLBZAZTESA-N 2 0 347.503 2.995 10 30 EFEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)C2 ZINC001325644727 1329703657 /nfs/dbraw/zinc/70/36/57/1329703657.db2.gz YBJMVPYEVZRSAE-ACDBMABISA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001325708589 1329708082 /nfs/dbraw/zinc/70/80/82/1329708082.db2.gz RDFNOXXPYKUYDN-OALUTQOASA-N 2 0 341.499 2.501 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001325754230 1329710790 /nfs/dbraw/zinc/71/07/90/1329710790.db2.gz PUNCIDNECSTWNI-ZRNYENFQSA-N 2 0 347.547 2.852 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001325754228 1329711061 /nfs/dbraw/zinc/71/10/61/1329711061.db2.gz PUNCIDNECSTWNI-VNTMZGSJSA-N 2 0 347.547 2.852 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001325946247 1329727027 /nfs/dbraw/zinc/72/70/27/1329727027.db2.gz NIPDICFWHGVPRC-IPMKNSEASA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001326467028 1329758916 /nfs/dbraw/zinc/75/89/16/1329758916.db2.gz DWPWGXBXLXXBPL-FXAWDEMLSA-N 2 0 341.499 2.707 10 30 EFEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001326489633 1329760477 /nfs/dbraw/zinc/76/04/77/1329760477.db2.gz BNBFPLKXBVCEHP-NRFANRHFSA-N 2 0 341.499 2.797 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001328099343 1330555718 /nfs/dbraw/zinc/55/57/18/1330555718.db2.gz UFCZYNLDBKGZBR-MSOLQXFVSA-N 2 0 329.488 2.692 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001328588399 1330605526 /nfs/dbraw/zinc/60/55/26/1330605526.db2.gz DWTSHKAAPOMYSA-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001328686594 1330616166 /nfs/dbraw/zinc/61/61/66/1330616166.db2.gz JEBGDQZYQQZPJQ-YFVAEKQCSA-N 2 0 341.499 2.809 10 30 EFEERP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001328693763 1330616758 /nfs/dbraw/zinc/61/67/58/1330616758.db2.gz NMJUEGKACJFFEB-HSALFYBXSA-N 2 0 341.499 2.502 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001330513877 1330763743 /nfs/dbraw/zinc/76/37/43/1330763743.db2.gz FKRFHIBZRBMJRT-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001331211412 1330805744 /nfs/dbraw/zinc/80/57/44/1330805744.db2.gz JQRWIUOLKLSNGT-WOJBJXKFSA-N 2 0 347.547 2.927 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001331318313 1330821170 /nfs/dbraw/zinc/82/11/70/1330821170.db2.gz KHTQRNSDJPRJKL-MJGOQNOKSA-N 2 0 344.503 2.547 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001331361632 1330828096 /nfs/dbraw/zinc/82/80/96/1330828096.db2.gz RLSPFUOOUHUFLH-OALUTQOASA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001331927561 1330892102 /nfs/dbraw/zinc/89/21/02/1330892102.db2.gz YSSISSMPOMXEMW-APWZRJJASA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089820 1330916605 /nfs/dbraw/zinc/91/66/05/1330916605.db2.gz KSKQESZMWAJFAE-JRBPQWBISA-N 2 0 333.520 2.796 10 30 EFEERP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001332099849 1330918960 /nfs/dbraw/zinc/91/89/60/1330918960.db2.gz LAWVYCMESNZVLI-RXVVDRJESA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001332101298 1330920508 /nfs/dbraw/zinc/92/05/08/1330920508.db2.gz SXPJDTUNRWGNOK-FPOVZHCZSA-N 2 0 345.531 2.778 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001332151107 1330929326 /nfs/dbraw/zinc/92/93/26/1330929326.db2.gz YGZKHFCVIUGITK-OKZBNKHCSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001332453967 1330973776 /nfs/dbraw/zinc/97/37/76/1330973776.db2.gz RENUPVPCKAWWEK-GOSISDBHSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C(F)(F)F ZINC001332460983 1330975277 /nfs/dbraw/zinc/97/52/77/1330975277.db2.gz WCFBTTGYSWIXIG-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC001332859665 1331032404 /nfs/dbraw/zinc/03/24/04/1331032404.db2.gz ZAFZARKAMUZLEE-BEFAXECRSA-N 2 0 341.515 2.896 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC001332859668 1331032655 /nfs/dbraw/zinc/03/26/55/1331032655.db2.gz ZAFZARKAMUZLEE-KXBFYZLASA-N 2 0 341.515 2.896 10 30 EFEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001332960058 1331054447 /nfs/dbraw/zinc/05/44/47/1331054447.db2.gz LDYMTESRCJWQGT-GOSISDBHSA-N 2 0 343.515 2.564 10 30 EFEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001333004500 1331063365 /nfs/dbraw/zinc/06/33/65/1331063365.db2.gz LCGWHIFYBLZDJF-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)CN(C)Cc2ccccc2)CC1 ZINC001333016169 1331065528 /nfs/dbraw/zinc/06/55/28/1331065528.db2.gz XGYHABCMQGXVGS-SFHVURJKSA-N 2 0 343.515 2.911 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(F)c1 ZINC001333473046 1331152026 /nfs/dbraw/zinc/15/20/26/1331152026.db2.gz JPSOKTVCUUQRIL-IBGZPJMESA-N 2 0 347.478 2.838 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)c(F)c1 ZINC001333473628 1331152070 /nfs/dbraw/zinc/15/20/70/1331152070.db2.gz PVDANEXLDRBAJX-UHFFFAOYSA-N 2 0 347.478 2.982 10 30 EFEERP C=CCCCCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335526095 1331367922 /nfs/dbraw/zinc/36/79/22/1331367922.db2.gz UGOIQYYGVATTQN-KDURUIRLSA-N 2 0 348.535 2.733 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480283969 1333547377 /nfs/dbraw/zinc/54/73/77/1333547377.db2.gz OSTJDRQCQYNAHD-QUCCMNQESA-N 2 0 347.547 2.903 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001366830826 1338084488 /nfs/dbraw/zinc/08/44/88/1338084488.db2.gz ANBWZTKOOWUQMC-SJORKVTESA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001368353630 1339312776 /nfs/dbraw/zinc/31/27/76/1339312776.db2.gz SZSUEUVQRSXMAD-WMLDXEAASA-N 2 0 341.927 2.543 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001368417120 1339350929 /nfs/dbraw/zinc/35/09/29/1339350929.db2.gz WDNBBASKIRNHIJ-WMLDXEAASA-N 2 0 335.879 2.658 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001370826548 1340221758 /nfs/dbraw/zinc/22/17/58/1340221758.db2.gz HNTSBLFIJRHPCU-DLBZAZTESA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001373964484 1341259022 /nfs/dbraw/zinc/25/90/22/1341259022.db2.gz DLHMJCOECJJEFU-JKSUJKDBSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001376294051 1343463528 /nfs/dbraw/zinc/46/35/28/1343463528.db2.gz SYCIQGOZUACHCO-YESZJQIVSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001377030893 1344076667 /nfs/dbraw/zinc/07/66/67/1344076667.db2.gz JEXWSWXYOBYMBJ-DLBZAZTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001377774398 1344423198 /nfs/dbraw/zinc/42/31/98/1344423198.db2.gz XOCSCDBOXJYJTB-CVEARBPZSA-N 2 0 329.916 2.640 10 30 EFEERP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001393882221 1357248784 /nfs/dbraw/zinc/24/87/84/1357248784.db2.gz KFXTYFJCQSEDJN-CVEARBPZSA-N 2 0 329.916 2.782 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001381033487 1348034393 /nfs/dbraw/zinc/03/43/93/1348034393.db2.gz URYQOIGRLHQAOP-SFHVURJKSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001381129912 1348097786 /nfs/dbraw/zinc/09/77/86/1348097786.db2.gz XXGYTCCITSXNBA-UHFFFAOYSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001381995626 1348648594 /nfs/dbraw/zinc/64/85/94/1348648594.db2.gz JNXFXXKMCLJCTK-ARFHVFGLSA-N 2 0 329.916 2.590 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC001382542027 1349007857 /nfs/dbraw/zinc/00/78/57/1349007857.db2.gz SNQHTKKEMTWKQP-GOSISDBHSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001392962546 1356469578 /nfs/dbraw/zinc/46/95/78/1356469578.db2.gz OLKAOHLPJFSXNV-SJORKVTESA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCC1 ZINC001393074198 1356562987 /nfs/dbraw/zinc/56/29/87/1356562987.db2.gz UQNNBLLECSGDNL-SJORKVTESA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001398752261 1360762973 /nfs/dbraw/zinc/76/29/73/1360762973.db2.gz BXHFPCSMKYUQAC-DLBZAZTESA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001400243346 1361877663 /nfs/dbraw/zinc/87/76/63/1361877663.db2.gz UUHGTOYVVLPLQE-SJORKVTESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001401643765 1362994071 /nfs/dbraw/zinc/99/40/71/1362994071.db2.gz NGHTZWLLRBNDGH-ZBFHGGJFSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001401846549 1363182885 /nfs/dbraw/zinc/18/28/85/1363182885.db2.gz GVQUMNVCTANXAO-MRXNPFEDSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001402066094 1363372148 /nfs/dbraw/zinc/37/21/48/1363372148.db2.gz YVWLXNQDBUTJSB-IRXDYDNUSA-N 2 0 339.911 2.727 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001402107975 1363414894 /nfs/dbraw/zinc/41/48/94/1363414894.db2.gz RDSOTUZBAHYHKW-IAGOWNOFSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001402677126 1363926903 /nfs/dbraw/zinc/92/69/03/1363926903.db2.gz FUNCSTVUEJMYQY-OAHLLOKOSA-N 2 0 347.906 2.780 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001402832645 1364078921 /nfs/dbraw/zinc/07/89/21/1364078921.db2.gz ZYCLIWXWUQZJNN-OFLPRAFFSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402926490 1364141490 /nfs/dbraw/zinc/14/14/90/1364141490.db2.gz GEHBWISJWXHGPW-KRWDZBQOSA-N 2 0 341.927 2.641 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001403493950 1364701973 /nfs/dbraw/zinc/70/19/73/1364701973.db2.gz OSCQCGMHNREBKJ-MRXNPFEDSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001403807260 1364962090 /nfs/dbraw/zinc/96/20/90/1364962090.db2.gz TWFJDTSRTPVYJA-ZWKOTPCHSA-N 2 0 349.906 2.540 10 30 EFEERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C)[NH+](C)C ZINC001403988146 1365137801 /nfs/dbraw/zinc/13/78/01/1365137801.db2.gz LMQYGLUKOWNGOU-QZTJIDSGSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001404326149 1365451872 /nfs/dbraw/zinc/45/18/72/1365451872.db2.gz GBLXYVKKZKYVLT-DOTOQJQBSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001404326152 1365452086 /nfs/dbraw/zinc/45/20/86/1365452086.db2.gz GBLXYVKKZKYVLT-NVXWUHKLSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001407988106 1369499152 /nfs/dbraw/zinc/49/91/52/1369499152.db2.gz WQWQTPMRYYXJEE-UHFFFAOYSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001408001964 1369513116 /nfs/dbraw/zinc/51/31/16/1369513116.db2.gz SOTUOOPBUYCKNG-HNNXBMFYSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001408006859 1369521311 /nfs/dbraw/zinc/52/13/11/1369521311.db2.gz VXTHBWWXSONGBX-IYBDPMFKSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001417863711 1373356743 /nfs/dbraw/zinc/35/67/43/1373356743.db2.gz VHJNCTMDYOBZFJ-OAHLLOKOSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001418022177 1373534263 /nfs/dbraw/zinc/53/42/63/1373534263.db2.gz RPAUGOFZJFTZLS-IRXDYDNUSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001418139958 1373665401 /nfs/dbraw/zinc/66/54/01/1373665401.db2.gz MRXRFVBNJXDJIN-HZPDHXFCSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001418139960 1373665533 /nfs/dbraw/zinc/66/55/33/1373665533.db2.gz MRXRFVBNJXDJIN-JKSUJKDBSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001419328872 1375109833 /nfs/dbraw/zinc/10/98/33/1375109833.db2.gz WDLRJELBFNSBLU-IAGOWNOFSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001419328869 1375109989 /nfs/dbraw/zinc/10/99/89/1375109989.db2.gz WDLRJELBFNSBLU-DLBZAZTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001419328879 1375110616 /nfs/dbraw/zinc/11/06/16/1375110616.db2.gz WDLRJELBFNSBLU-SJORKVTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001419578856 1375475577 /nfs/dbraw/zinc/47/55/77/1375475577.db2.gz KDVHQKXOCYUJGZ-IRXDYDNUSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001421176766 1378233801 /nfs/dbraw/zinc/23/38/01/1378233801.db2.gz AZXILRBXFNAXSU-SFHVURJKSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001422070197 1379571251 /nfs/dbraw/zinc/57/12/51/1379571251.db2.gz AXMRYECNOXMEFP-INIZCTEOSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001423170420 1381497673 /nfs/dbraw/zinc/49/76/73/1381497673.db2.gz LUJGGPBPRXILPN-JKSUJKDBSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001424493854 1383048116 /nfs/dbraw/zinc/04/81/16/1383048116.db2.gz MXQMUJQKUDTDIY-MRXNPFEDSA-N 2 0 341.927 2.973 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001426160895 1384036200 /nfs/dbraw/zinc/03/62/00/1384036200.db2.gz DRVMKRJDLXXFPN-GOSISDBHSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001440266740 1389490587 /nfs/dbraw/zinc/49/05/87/1389490587.db2.gz GTJLGURJSGHOOL-HZPDHXFCSA-N 2 0 327.900 2.582 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC001506870398 1406387318 /nfs/dbraw/zinc/38/73/18/1406387318.db2.gz NAVVKBDXYJEMLX-RLLQIKCJSA-N 2 0 345.531 2.607 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001440414104 1389611966 /nfs/dbraw/zinc/61/19/66/1389611966.db2.gz JBQJSZQQYQUOAF-BSWAZPDLSA-N 2 0 341.927 2.686 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001440889612 1389980795 /nfs/dbraw/zinc/98/07/95/1389980795.db2.gz PRPYHRMSYZRQJW-GJZGRUSLSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001441106404 1391099384 /nfs/dbraw/zinc/09/93/84/1391099384.db2.gz CKIQSRVDYMHDFR-UHFFFAOYSA-N 2 0 341.927 2.880 10 30 EFEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507021951 1406602041 /nfs/dbraw/zinc/60/20/41/1406602041.db2.gz JAHFYTKMNZJYDJ-RTBURBONSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507021948 1406602618 /nfs/dbraw/zinc/60/26/18/1406602618.db2.gz JAHFYTKMNZJYDJ-RBUKOAKNSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001460362716 1396028959 /nfs/dbraw/zinc/02/89/59/1396028959.db2.gz OIGPUMCEUQOHCY-IEBWSBKVSA-N 2 0 329.488 2.694 10 30 EFEERP C=CC[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001460362718 1396029633 /nfs/dbraw/zinc/02/96/33/1396029633.db2.gz OIGPUMCEUQOHCY-PKOBYXMFSA-N 2 0 329.488 2.694 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001467407613 1396851844 /nfs/dbraw/zinc/85/18/44/1396851844.db2.gz BAIZNUHMHFBPOU-GOSISDBHSA-N 2 0 329.488 2.521 10 30 EFEERP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473877879 1397342840 /nfs/dbraw/zinc/34/28/40/1397342840.db2.gz YHSKVKAUPTXVDD-KRWDZBQOSA-N 2 0 327.472 2.932 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001479336839 1397691635 /nfs/dbraw/zinc/69/16/35/1397691635.db2.gz BJOULYOHVGUZJA-IZAXUBKRSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479423760 1397722989 /nfs/dbraw/zinc/72/29/89/1397722989.db2.gz BEIHQQNDXBASPJ-ZCNNSNEGSA-N 2 0 343.515 2.877 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001479501652 1397739145 /nfs/dbraw/zinc/73/91/45/1397739145.db2.gz LWYYZHCEWHUMMU-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001479504710 1397739773 /nfs/dbraw/zinc/73/97/73/1397739773.db2.gz UGMCEBMLKSEJLT-LJQANCHMSA-N 2 0 345.531 2.589 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001479734537 1397788632 /nfs/dbraw/zinc/78/86/32/1397788632.db2.gz GJKGTCBAJKIFEZ-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001479740396 1397794448 /nfs/dbraw/zinc/79/44/48/1397794448.db2.gz KLRATUQLUYCLGF-IBGZPJMESA-N 2 0 333.520 2.589 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001479745608 1397802845 /nfs/dbraw/zinc/80/28/45/1397802845.db2.gz NQCLTFBFXLSZIS-ROUUACIJSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001479747922 1397808324 /nfs/dbraw/zinc/80/83/24/1397808324.db2.gz JEKBDAOYHIJFDG-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CCCC=C)CC1 ZINC001479835336 1397930143 /nfs/dbraw/zinc/93/01/43/1397930143.db2.gz VSAJGLHPYUFDLK-UYAOXDASSA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001479988376 1398073433 /nfs/dbraw/zinc/07/34/33/1398073433.db2.gz JPCCCSAHOLOYDH-GOSISDBHSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCCCCC)CCC[C@@H]12 ZINC001507350432 1406931783 /nfs/dbraw/zinc/93/17/83/1406931783.db2.gz NOPJYPQJBNVJQL-UYAOXDASSA-N 2 0 333.520 2.635 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001480065750 1398109375 /nfs/dbraw/zinc/10/93/75/1398109375.db2.gz KNODVWKDJOLEKM-IBGZPJMESA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001480187658 1398157319 /nfs/dbraw/zinc/15/73/19/1398157319.db2.gz DDONFLULGCDAEQ-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001507356458 1406944650 /nfs/dbraw/zinc/94/46/50/1406944650.db2.gz PNDCXYCOFUTZCF-AZUAARDMSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480823456 1398333387 /nfs/dbraw/zinc/33/33/87/1398333387.db2.gz JHWVQHNLHOVYHQ-MOPGFXCFSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507358373 1406947181 /nfs/dbraw/zinc/94/71/81/1406947181.db2.gz WGIOBQCOWVAZHY-AZUAARDMSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001507361162 1406953189 /nfs/dbraw/zinc/95/31/89/1406953189.db2.gz AUWPGNAAQQXAKG-KZNAEPCWSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001507364562 1406957807 /nfs/dbraw/zinc/95/78/07/1406957807.db2.gz PFZNFZZOMBXLKK-GUDVDZBRSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CCC(=C)C)CC2)CC1 ZINC001493851604 1398923508 /nfs/dbraw/zinc/92/35/08/1398923508.db2.gz VYQFXWJQLYFBPD-GOSISDBHSA-N 2 0 345.531 2.515 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001493877444 1398944974 /nfs/dbraw/zinc/94/49/74/1398944974.db2.gz AEORUQNBACVWDT-VQTJNVASSA-N 2 0 341.499 2.532 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001493891612 1398957822 /nfs/dbraw/zinc/95/78/22/1398957822.db2.gz DORUHCFQBVHWPQ-GOSISDBHSA-N 2 0 329.488 2.884 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001493901800 1398967132 /nfs/dbraw/zinc/96/71/32/1398967132.db2.gz YIMBSPZWXBJLHP-IBGZPJMESA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001493970669 1399023918 /nfs/dbraw/zinc/02/39/18/1399023918.db2.gz HAEVYZMAUDDKGC-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494154611 1399172449 /nfs/dbraw/zinc/17/24/49/1399172449.db2.gz PJOVRYQRXIKRNW-HKUYNNGSSA-N 2 0 333.520 2.750 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001494177675 1399190577 /nfs/dbraw/zinc/19/05/77/1399190577.db2.gz ABCFDNSQIYOIFS-KRWDZBQOSA-N 2 0 345.487 2.539 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001494181808 1399195368 /nfs/dbraw/zinc/19/53/68/1399195368.db2.gz VAQWVNAHPJLDIJ-LJQANCHMSA-N 2 0 335.536 2.999 10 30 EFEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001495381447 1399927973 /nfs/dbraw/zinc/92/79/73/1399927973.db2.gz XAMJPGOEMYXCRG-UYAOXDASSA-N 2 0 341.499 2.531 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001495490212 1400024388 /nfs/dbraw/zinc/02/43/88/1400024388.db2.gz WTVWCOOXDDKYGH-UHFFFAOYSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001495498643 1400032989 /nfs/dbraw/zinc/03/29/89/1400032989.db2.gz WIHFMSOSPHBNRH-RTBURBONSA-N 2 0 329.488 2.699 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001495974440 1400392187 /nfs/dbraw/zinc/39/21/87/1400392187.db2.gz SDPGYYPQEZMCGH-KRWDZBQOSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001495978685 1400395773 /nfs/dbraw/zinc/39/57/73/1400395773.db2.gz QFKMWLRRVUCXTF-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)CCCCCC)CC2 ZINC001495986802 1400398732 /nfs/dbraw/zinc/39/87/32/1400398732.db2.gz NJXVXKMELGZXNM-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001496358785 1400670349 /nfs/dbraw/zinc/67/03/49/1400670349.db2.gz CUPMWYBGVAEVFH-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001496425705 1400723251 /nfs/dbraw/zinc/72/32/51/1400723251.db2.gz GKNYBBCYLFGAIE-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496450720 1400740180 /nfs/dbraw/zinc/74/01/80/1400740180.db2.gz OPUCHYHUHAHYHM-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496453214 1400742506 /nfs/dbraw/zinc/74/25/06/1400742506.db2.gz XXHQUGRDUDUHGD-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001496504611 1400779494 /nfs/dbraw/zinc/77/94/94/1400779494.db2.gz HOWWRPQTFKGBAS-WOJBJXKFSA-N 2 0 345.531 2.587 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001496512373 1400786953 /nfs/dbraw/zinc/78/69/53/1400786953.db2.gz FUNZZYOMCQACLK-UXHICEINSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001496512397 1400787020 /nfs/dbraw/zinc/78/70/20/1400787020.db2.gz GUDIOFDLGBTQGZ-MJGOQNOKSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001496597333 1400859188 /nfs/dbraw/zinc/85/91/88/1400859188.db2.gz KYSWVQXLCAFDOK-RTBURBONSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC/C=C/CC)CC1 ZINC001496918677 1401101625 /nfs/dbraw/zinc/10/16/25/1401101625.db2.gz QKCWEQXIWBUTDV-BGEOSOQGSA-N 2 0 345.531 2.562 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001497331631 1401307736 /nfs/dbraw/zinc/30/77/36/1401307736.db2.gz MXXUMXMGFOXJMC-MSOLQXFVSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001498496730 1402145876 /nfs/dbraw/zinc/14/58/76/1402145876.db2.gz MWGDDJQHZWIICS-OALUTQOASA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001498899147 1402368756 /nfs/dbraw/zinc/36/87/56/1402368756.db2.gz SFFAJTZHUVUGNQ-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](CCC)CCC ZINC001499514671 1402652528 /nfs/dbraw/zinc/65/25/28/1402652528.db2.gz DAIAJXCFPVTPGH-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CCCCCC1 ZINC001499522474 1402658464 /nfs/dbraw/zinc/65/84/64/1402658464.db2.gz JGXOKJGQYVGVOI-UXHICEINSA-N 2 0 345.531 2.778 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001499531208 1402666558 /nfs/dbraw/zinc/66/65/58/1402666558.db2.gz SQWSBKLXSYPAME-VQTJNVASSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001499582617 1402699758 /nfs/dbraw/zinc/69/97/58/1402699758.db2.gz UJCZJJXFDGWFNX-UHFFFAOYSA-N 2 0 345.531 2.896 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001499584512 1402700454 /nfs/dbraw/zinc/70/04/54/1402700454.db2.gz FJRVPGAYNPAXKQ-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001499747284 1402767907 /nfs/dbraw/zinc/76/79/07/1402767907.db2.gz MAYCSLOUDCRAAS-DNVCBOLYSA-N 2 0 339.499 2.696 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508086141 1407289661 /nfs/dbraw/zinc/28/96/61/1407289661.db2.gz OHSPFMQEFDUQQL-GJZGRUSLSA-N 2 0 349.441 2.663 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500037224 1402908521 /nfs/dbraw/zinc/90/85/21/1402908521.db2.gz CJABPPIILKRRGN-AZUAARDMSA-N 2 0 347.547 2.832 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001500051926 1402914697 /nfs/dbraw/zinc/91/46/97/1402914697.db2.gz MZXWYCIZDXWJGG-AZUAARDMSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCCC)CC1 ZINC001500057542 1402916567 /nfs/dbraw/zinc/91/65/67/1402916567.db2.gz IWSRDARPQMHADA-QZTJIDSGSA-N 2 0 333.520 2.586 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CC(=C)C)CC1 ZINC001500056984 1402916716 /nfs/dbraw/zinc/91/67/16/1402916716.db2.gz AJMGOTQNNUBSMU-UHFFFAOYSA-N 2 0 345.531 2.755 10 30 EFEERP C#CCN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC[NH+](CCCCC)CC1 ZINC001500058051 1402916723 /nfs/dbraw/zinc/91/67/23/1402916723.db2.gz TUKQNLGDFGOCTO-NRFANRHFSA-N 2 0 345.531 2.589 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001500095753 1402935031 /nfs/dbraw/zinc/93/50/31/1402935031.db2.gz OMSHVWWZDXCZAK-OALUTQOASA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001500164458 1402963517 /nfs/dbraw/zinc/96/35/17/1402963517.db2.gz ZXYLFNYLJIPJQE-FQEVSTJZSA-N 2 0 345.531 2.753 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001500354340 1403070957 /nfs/dbraw/zinc/07/09/57/1403070957.db2.gz PSORFLDXVVFGHS-ICSRJNTNSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500390675 1403090759 /nfs/dbraw/zinc/09/07/59/1403090759.db2.gz NCINBUAPKSLJNU-FQEVSTJZSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500390676 1403091046 /nfs/dbraw/zinc/09/10/46/1403091046.db2.gz NCINBUAPKSLJNU-HXUWFJFHSA-N 2 0 333.520 2.513 10 30 EFEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001500392659 1403092620 /nfs/dbraw/zinc/09/26/20/1403092620.db2.gz GFIBCPWORVULTK-TZIWHRDSSA-N 2 0 341.499 2.531 10 30 EFEERP C=CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001500393497 1403092973 /nfs/dbraw/zinc/09/29/73/1403092973.db2.gz OUHPWXPBOIWVOY-IBGZPJMESA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001500457617 1403136616 /nfs/dbraw/zinc/13/66/16/1403136616.db2.gz RWDGPXXHUSTNFV-LJQANCHMSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001508166426 1407327345 /nfs/dbraw/zinc/32/73/45/1407327345.db2.gz QRBVOYVPPXXMLA-UHFFFAOYSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001501055209 1403423342 /nfs/dbraw/zinc/42/33/42/1403423342.db2.gz ZNEVVKYAJJCJGJ-HOCLYGCPSA-N 2 0 326.444 2.659 10 30 EFEERP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001501147390 1403459268 /nfs/dbraw/zinc/45/92/68/1403459268.db2.gz XBZLTHQOMDFZQC-ZWKOTPCHSA-N 2 0 335.536 2.737 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001501183716 1403481036 /nfs/dbraw/zinc/48/10/36/1403481036.db2.gz DZEHYQGKEJWXBY-WGSAOQKQSA-N 2 0 347.547 2.644 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001501417516 1403597344 /nfs/dbraw/zinc/59/73/44/1403597344.db2.gz DRFRBEKSHZEWLR-IYWMVGAKSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001501668725 1403691495 /nfs/dbraw/zinc/69/14/95/1403691495.db2.gz LDBPIZTWXLXBTQ-QGZVFWFLSA-N 2 0 329.488 2.653 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001501696836 1403728704 /nfs/dbraw/zinc/72/87/04/1403728704.db2.gz KTWQHCKHFFUIIK-GUDVDZBRSA-N 2 0 345.531 2.539 10 30 EFEERP C=C(C)C[N@H+]1CCc2c(CNC(=O)C3([NH+](C)C)CCC3)cccc2C1 ZINC001501854061 1403827499 /nfs/dbraw/zinc/82/74/99/1403827499.db2.gz KKCGCJJHQAZOTR-UHFFFAOYSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001502126450 1404021033 /nfs/dbraw/zinc/02/10/33/1404021033.db2.gz YKAYPWIJIPCGCV-HOTGVXAUSA-N 2 0 327.900 2.584 10 30 EFEERP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001502404331 1404144119 /nfs/dbraw/zinc/14/41/19/1404144119.db2.gz FQXSRYHZLLIFJT-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001502545671 1404236010 /nfs/dbraw/zinc/23/60/10/1404236010.db2.gz FKBFJCWRGOYSNW-ICSRJNTNSA-N 2 0 333.520 2.609 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001502830010 1404382538 /nfs/dbraw/zinc/38/25/38/1404382538.db2.gz CHHSFMAXZNFVAF-IBGZPJMESA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001503691267 1404500236 /nfs/dbraw/zinc/50/02/36/1404500236.db2.gz LLGXKOOTBNYLMA-MOPGFXCFSA-N 2 0 329.488 2.618 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001505396362 1404547996 /nfs/dbraw/zinc/54/79/96/1404547996.db2.gz GWAUIJGZZUTXBE-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001505415493 1404575477 /nfs/dbraw/zinc/57/54/77/1404575477.db2.gz PGSWTQNNHPPNFR-CEXWTWQISA-N 2 0 329.488 2.665 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001505431539 1404594307 /nfs/dbraw/zinc/59/43/07/1404594307.db2.gz XODPVWHYZJSVOM-ICSRJNTNSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001505471886 1404706745 /nfs/dbraw/zinc/70/67/45/1404706745.db2.gz COLYPIWZUMYHQH-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001505497798 1404727900 /nfs/dbraw/zinc/72/79/00/1404727900.db2.gz QBZSBSMURXSEIJ-KLAILNCOSA-N 2 0 344.503 2.601 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001505538095 1404748771 /nfs/dbraw/zinc/74/87/71/1404748771.db2.gz WBYUZIRTTCEGHS-UHFFFAOYSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001505850020 1405140196 /nfs/dbraw/zinc/14/01/96/1405140196.db2.gz INNCRVFYILZMAU-SFHVURJKSA-N 2 0 335.536 2.594 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCC2CCCC2)CC1 ZINC001506064826 1405423835 /nfs/dbraw/zinc/42/38/35/1405423835.db2.gz DFBMBUQFCHNCPZ-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001565819276 1415417400 /nfs/dbraw/zinc/41/74/00/1415417400.db2.gz BLWCLLZCZIXSFI-KRWDZBQOSA-N 2 0 326.444 2.755 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001565819277 1415418020 /nfs/dbraw/zinc/41/80/20/1415418020.db2.gz BLWCLLZCZIXSFI-QGZVFWFLSA-N 2 0 326.444 2.755 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001565831678 1415425547 /nfs/dbraw/zinc/42/55/47/1415425547.db2.gz LEBITJRJIWFPRN-LJQANCHMSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001565941066 1415459401 /nfs/dbraw/zinc/45/94/01/1415459401.db2.gz HZORTXGLJXXBSY-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001565942305 1415460018 /nfs/dbraw/zinc/46/00/18/1415460018.db2.gz XLVOPOCSRKDXJQ-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942365 1415460987 /nfs/dbraw/zinc/46/09/87/1415460987.db2.gz YELKKVSXRPBXLR-HOCLYGCPSA-N 2 0 329.916 2.688 10 30 EFEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001565978949 1415468509 /nfs/dbraw/zinc/46/85/09/1415468509.db2.gz BBZBSROIJIJCRJ-XLIONFOSSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001565986680 1415471028 /nfs/dbraw/zinc/47/10/28/1415471028.db2.gz JUEHMJBYXOKKDI-IPMKNSEASA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001565987418 1415471699 /nfs/dbraw/zinc/47/16/99/1415471699.db2.gz NPAHCTOVDIQKCW-UYAOXDASSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@H]21 ZINC001565994740 1415474994 /nfs/dbraw/zinc/47/49/94/1415474994.db2.gz JWRHWNZGXBVUAO-OLMNPRSZSA-N 2 0 330.476 2.524 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001566002270 1415478959 /nfs/dbraw/zinc/47/89/59/1415478959.db2.gz VTYOLRLXDNLBFO-CABCVRRESA-N 2 0 349.441 2.519 10 30 EFEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001566077888 1415507715 /nfs/dbraw/zinc/50/77/15/1415507715.db2.gz RLKXKSGVIVXNPE-IBGZPJMESA-N 2 0 333.520 2.637 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566535643 1415622922 /nfs/dbraw/zinc/62/29/22/1415622922.db2.gz SSIZUDUGZXAMBG-HOTGVXAUSA-N 2 0 329.916 2.830 10 30 EFEERP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001566697496 1415737033 /nfs/dbraw/zinc/73/70/33/1415737033.db2.gz BRDWXAKTJAQYRR-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC(C)C)CC1 ZINC001566930390 1415854212 /nfs/dbraw/zinc/85/42/12/1415854212.db2.gz WMVDCBAGVWAHFG-FQEVSTJZSA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCCC(C)C)CC1 ZINC001566930391 1415854658 /nfs/dbraw/zinc/85/46/58/1415854658.db2.gz WMVDCBAGVWAHFG-HXUWFJFHSA-N 2 0 347.547 2.739 10 30 EFEERP C[C@@H](CNC(=O)CCCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001567070685 1415923447 /nfs/dbraw/zinc/92/34/47/1415923447.db2.gz ACKXKJUSBDAQPW-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C[C@H](CNC(=O)CCCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001567070686 1415923502 /nfs/dbraw/zinc/92/35/02/1415923502.db2.gz ACKXKJUSBDAQPW-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567169753 1415967149 /nfs/dbraw/zinc/96/71/49/1415967149.db2.gz RKCAUMRNZZUBKZ-ZWKOTPCHSA-N 2 0 333.520 2.681 10 30 EFEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567199070 1415991087 /nfs/dbraw/zinc/99/10/87/1415991087.db2.gz BWMWAFVRTAZIRT-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001567263707 1416040529 /nfs/dbraw/zinc/04/05/29/1416040529.db2.gz ZUNIKYWQEYAWKN-RBUKOAKNSA-N 2 0 333.520 2.633 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001567263705 1416041365 /nfs/dbraw/zinc/04/13/65/1416041365.db2.gz ZUNIKYWQEYAWKN-MOPGFXCFSA-N 2 0 333.520 2.633 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001567265938 1416044261 /nfs/dbraw/zinc/04/42/61/1416044261.db2.gz DTAGIENWVKCLRE-VQTJNVASSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567416438 1416127361 /nfs/dbraw/zinc/12/73/61/1416127361.db2.gz ZPKOHCIKYGKMMC-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CCC(C)C)CC2)CC1 ZINC001567634792 1416219959 /nfs/dbraw/zinc/21/99/59/1416219959.db2.gz RECMKRFOLDAYCQ-SFHVURJKSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001567660337 1416235091 /nfs/dbraw/zinc/23/50/91/1416235091.db2.gz YOXKQJVCKBAPPD-RTBURBONSA-N 2 0 329.488 2.884 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567685215 1416246567 /nfs/dbraw/zinc/24/65/67/1416246567.db2.gz BJUBWDYRKBIGGY-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567715501 1416259396 /nfs/dbraw/zinc/25/93/96/1416259396.db2.gz KZRICKBHTIAFAT-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567734767 1416263544 /nfs/dbraw/zinc/26/35/44/1416263544.db2.gz FTLZXORFPLRKRP-GOSISDBHSA-N 2 0 343.515 2.761 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001567748142 1416271191 /nfs/dbraw/zinc/27/11/91/1416271191.db2.gz ABTODNCRSLVQJN-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001568040093 1416371750 /nfs/dbraw/zinc/37/17/50/1416371750.db2.gz JEPWDTGEANYMBN-PXNSSMCTSA-N 2 0 335.536 2.642 10 30 EFEERP C#CC[NH2+]C[C@@]1(NC(=O)CCC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001568043305 1416373503 /nfs/dbraw/zinc/37/35/03/1416373503.db2.gz IDQAWNSMWZVUEK-QUCCMNQESA-N 2 0 333.520 2.540 10 30 EFEERP C=CC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@@H]1C ZINC001568044049 1416374114 /nfs/dbraw/zinc/37/41/14/1416374114.db2.gz SHDGHXKCHVDZIG-FXAWDEMLSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001568056576 1416382628 /nfs/dbraw/zinc/38/26/28/1416382628.db2.gz GJVQUFABTAZABH-IRXDYDNUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001568056574 1416382642 /nfs/dbraw/zinc/38/26/42/1416382642.db2.gz GJVQUFABTAZABH-DLBZAZTESA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001568087326 1416403512 /nfs/dbraw/zinc/40/35/12/1416403512.db2.gz AJSJVAWICSOMED-KRWDZBQOSA-N 2 0 341.927 2.832 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001568091520 1416405502 /nfs/dbraw/zinc/40/55/02/1416405502.db2.gz BJRDVRVEIQBEER-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001568107435 1416412835 /nfs/dbraw/zinc/41/28/35/1416412835.db2.gz AZFLWBPHSFPCTH-QAQDUYKDSA-N 2 0 333.520 2.680 10 30 EFEERP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001568158321 1416429335 /nfs/dbraw/zinc/42/93/35/1416429335.db2.gz NJAZPIRHKUIPFP-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001568251210 1416455835 /nfs/dbraw/zinc/45/58/35/1416455835.db2.gz HWAKWXLLVVBLLA-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568425966 1416528026 /nfs/dbraw/zinc/52/80/26/1416528026.db2.gz AZFGGSOKRSGQNN-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001689989093 1417122507 /nfs/dbraw/zinc/12/25/07/1417122507.db2.gz AFIICOFSBRCIKG-GOSISDBHSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCC[NH+]1CCC(N(CCC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001690138825 1417163658 /nfs/dbraw/zinc/16/36/58/1417163658.db2.gz QOGHUKWZWLXOAB-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001690138977 1417164054 /nfs/dbraw/zinc/16/40/54/1417164054.db2.gz WPKWFFNHMMIIJJ-UYAOXDASSA-N 2 0 347.547 2.833 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001690919359 1417246037 /nfs/dbraw/zinc/24/60/37/1417246037.db2.gz LTYUAMDPPBILBC-FQEVSTJZSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791893 1417247711 /nfs/dbraw/zinc/24/77/11/1417247711.db2.gz JKMFLAIQJJOPAR-OALUTQOASA-N 2 0 329.488 2.742 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001698706712 1417314025 /nfs/dbraw/zinc/31/40/25/1417314025.db2.gz ARJXUYFRUDQQMK-WNHJNPCNSA-N 2 0 333.520 2.700 10 30 EFEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698940557 1417351327 /nfs/dbraw/zinc/35/13/27/1417351327.db2.gz UGNCOFSXZLOHLR-VQIMIIECSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001698951873 1417354815 /nfs/dbraw/zinc/35/48/15/1417354815.db2.gz MDZLKNVWQNDQLC-HXUWFJFHSA-N 2 0 347.547 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001698952581 1417356156 /nfs/dbraw/zinc/35/61/56/1417356156.db2.gz LJPMCMZNARGMJG-AZUAARDMSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001699008396 1417366745 /nfs/dbraw/zinc/36/67/45/1417366745.db2.gz IUBOGVXFAOFGHV-ROUUACIJSA-N 2 0 331.504 2.504 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001699011500 1417367158 /nfs/dbraw/zinc/36/71/58/1417367158.db2.gz ALYPNYNCUFSSSG-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001699011499 1417367576 /nfs/dbraw/zinc/36/75/76/1417367576.db2.gz ALYPNYNCUFSSSG-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699033504 1417378095 /nfs/dbraw/zinc/37/80/95/1417378095.db2.gz ZYJOTNOMKARURL-MOPGFXCFSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001699672805 1417445907 /nfs/dbraw/zinc/44/59/07/1417445907.db2.gz FITVQLMJEFABSQ-WOJBJXKFSA-N 2 0 345.531 2.589 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001699929800 1417511022 /nfs/dbraw/zinc/51/10/22/1417511022.db2.gz AJPLHINJJYOCGA-PXNSSMCTSA-N 2 0 343.515 2.914 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001699971089 1417531301 /nfs/dbraw/zinc/53/13/01/1417531301.db2.gz WPZAJANNRJTPQT-PKOBYXMFSA-N 2 0 335.536 2.759 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001699981590 1417536462 /nfs/dbraw/zinc/53/64/62/1417536462.db2.gz KDCOBZDHLXRXPY-WGSAOQKQSA-N 2 0 347.547 2.642 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001700020097 1417541458 /nfs/dbraw/zinc/54/14/58/1417541458.db2.gz JPFXDIKVMRZRRI-GBESFXJTSA-N 2 0 335.536 2.831 10 30 EFEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001700092173 1417563418 /nfs/dbraw/zinc/56/34/18/1417563418.db2.gz VGIDLYVFKHRXAJ-IBGZPJMESA-N 2 0 329.488 2.795 10 30 EFEERP CC#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700091815 1417563646 /nfs/dbraw/zinc/56/36/46/1417563646.db2.gz PGVMAELLVVBGMA-FQEVSTJZSA-N 2 0 341.499 2.632 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCC1 ZINC001700138050 1417580301 /nfs/dbraw/zinc/58/03/01/1417580301.db2.gz DYDXRMSTOHIYBN-UHFFFAOYSA-N 2 0 329.488 2.609 10 30 EFEERP C=CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001700863995 1417666222 /nfs/dbraw/zinc/66/62/22/1417666222.db2.gz CLIQXYDLGVZGSZ-YLJYHZDGSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001700898752 1417683725 /nfs/dbraw/zinc/68/37/25/1417683725.db2.gz PHKGFXGALXYDPL-ROUUACIJSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713246731 1418415060 /nfs/dbraw/zinc/41/50/60/1418415060.db2.gz SKPVTGDVGFCMKE-GOSISDBHSA-N 2 0 329.488 2.766 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713275520 1418443955 /nfs/dbraw/zinc/44/39/55/1418443955.db2.gz JWAUEXLKFAZPGK-RBUKOAKNSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713275519 1418444454 /nfs/dbraw/zinc/44/44/54/1418444454.db2.gz JWAUEXLKFAZPGK-OALUTQOASA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278470 1418448307 /nfs/dbraw/zinc/44/83/07/1418448307.db2.gz SHNVBPSLLVMQAF-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713283894 1418453935 /nfs/dbraw/zinc/45/39/35/1418453935.db2.gz VZBAHYSWHHWCNX-SWBPCFCJSA-N 2 0 347.547 2.898 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713360608 1418490650 /nfs/dbraw/zinc/49/06/50/1418490650.db2.gz MCKOTOWPXLKMIY-IEBWSBKVSA-N 2 0 329.488 2.694 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001714291282 1418594976 /nfs/dbraw/zinc/59/49/76/1418594976.db2.gz PULATMQUONHAHK-IBGZPJMESA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001714327336 1418601553 /nfs/dbraw/zinc/60/15/53/1418601553.db2.gz TUESYXZNACGLJO-HXUWFJFHSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001714516697 1418606905 /nfs/dbraw/zinc/60/69/05/1418606905.db2.gz HPTCXUVSXJQQOL-SFHVURJKSA-N 2 0 344.503 2.699 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001715543911 1418678071 /nfs/dbraw/zinc/67/80/71/1418678071.db2.gz BNUMGDGFQSMAGH-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001716638222 1418933913 /nfs/dbraw/zinc/93/39/13/1418933913.db2.gz XTJFQQJDHFERAL-RTBURBONSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001716708482 1418966780 /nfs/dbraw/zinc/96/67/80/1418966780.db2.gz HMGDUCJGBWQPIY-MVCQKVDPSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001716712383 1418968479 /nfs/dbraw/zinc/96/84/79/1418968479.db2.gz IUMLNDOYFPGGMJ-KURKYZTESA-N 2 0 331.504 2.502 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001716731480 1418981069 /nfs/dbraw/zinc/98/10/69/1418981069.db2.gz MWVJURFTNZOJJS-ICSRJNTNSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001716731879 1418982367 /nfs/dbraw/zinc/98/23/67/1418982367.db2.gz QCZBWMNFMBZREE-HKUYNNGSSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001716745559 1418988535 /nfs/dbraw/zinc/98/85/35/1418988535.db2.gz RVTOSVUGTLELAT-QGZVFWFLSA-N 2 0 343.515 2.902 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CC=C(C)C)CC1 ZINC001716810850 1419024310 /nfs/dbraw/zinc/02/43/10/1419024310.db2.gz FSSINAIYCGXGFV-UHFFFAOYSA-N 2 0 333.520 2.611 10 30 EFEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001716811254 1419024839 /nfs/dbraw/zinc/02/48/39/1419024839.db2.gz SUSLBOSBKNHLJV-IBGZPJMESA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001716811664 1419024853 /nfs/dbraw/zinc/02/48/53/1419024853.db2.gz IATAJHJNEQJRFV-RTBURBONSA-N 2 0 347.547 2.832 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001716825495 1419033971 /nfs/dbraw/zinc/03/39/71/1419033971.db2.gz ZMEZIRKEEKKDBW-RTBURBONSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001716869699 1419065960 /nfs/dbraw/zinc/06/59/60/1419065960.db2.gz WBOUXVIETVXRPS-QUCCMNQESA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001716889001 1419076414 /nfs/dbraw/zinc/07/64/14/1419076414.db2.gz SSVUHHPBVYEUEZ-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001716900464 1419086228 /nfs/dbraw/zinc/08/62/28/1419086228.db2.gz YGMUHYNIJNOJTP-OAQYLSRUSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001716910163 1419092169 /nfs/dbraw/zinc/09/21/69/1419092169.db2.gz DADFMPPYFMVZEZ-HOTGVXAUSA-N 2 0 343.462 2.510 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001716987479 1419126466 /nfs/dbraw/zinc/12/64/66/1419126466.db2.gz KTQZRJHYXIBEDK-PKOBYXMFSA-N 2 0 343.515 2.665 10 30 EFEERP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001716999576 1419136039 /nfs/dbraw/zinc/13/60/39/1419136039.db2.gz JVWXWZRXWCZWGI-HAGHYFMRSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001717002358 1419137863 /nfs/dbraw/zinc/13/78/63/1419137863.db2.gz QGTHXIGSGCNKBY-VJANTYMQSA-N 2 0 335.536 2.805 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717004509 1419140414 /nfs/dbraw/zinc/14/04/14/1419140414.db2.gz OGGULFQICFYJJD-WTGUMLROSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@H]2C1 ZINC001717014639 1419149678 /nfs/dbraw/zinc/14/96/78/1419149678.db2.gz ZZGXNAKLRIEFSK-ZCNNSNEGSA-N 2 0 341.499 2.646 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001717034116 1419165717 /nfs/dbraw/zinc/16/57/17/1419165717.db2.gz ZLMUTLOMXBLQAX-IPMKNSEASA-N 2 0 333.520 2.892 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110938 1419216101 /nfs/dbraw/zinc/21/61/01/1419216101.db2.gz KIAKVMNENHQISK-SJORKVTESA-N 2 0 341.927 2.688 10 30 EFEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001717112936 1419217121 /nfs/dbraw/zinc/21/71/21/1419217121.db2.gz QNMXCHBGFMEDNJ-HXUWFJFHSA-N 2 0 341.499 2.632 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001717115171 1419219335 /nfs/dbraw/zinc/21/93/35/1419219335.db2.gz KBNZQPMJEJPUDQ-KRWDZBQOSA-N 2 0 343.515 2.955 10 30 EFEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001717115188 1419219415 /nfs/dbraw/zinc/21/94/15/1419219415.db2.gz KHLZVWPNHHUJSX-FCEWJHQRSA-N 2 0 329.488 2.870 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001717216134 1419270367 /nfs/dbraw/zinc/27/03/67/1419270367.db2.gz DSMGVJRZSYRCQN-WOJBJXKFSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[N@H+]1Cc2ccc(CNC(=O)C3([NH+](C)C)CCC3)cc2C1 ZINC001717270138 1419299504 /nfs/dbraw/zinc/29/95/04/1419299504.db2.gz MBCLFIMUPFLJML-UHFFFAOYSA-N 2 0 327.472 2.679 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001717297621 1419313378 /nfs/dbraw/zinc/31/33/78/1419313378.db2.gz BLDMSQDLMMIHNS-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001717347872 1419347256 /nfs/dbraw/zinc/34/72/56/1419347256.db2.gz LKKHDAMZNRSNQW-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365179 1419357814 /nfs/dbraw/zinc/35/78/14/1419357814.db2.gz JQPVTTCERHECNT-UYAOXDASSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365176 1419358287 /nfs/dbraw/zinc/35/82/87/1419358287.db2.gz JQPVTTCERHECNT-AZUAARDMSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001717371487 1419364001 /nfs/dbraw/zinc/36/40/01/1419364001.db2.gz QDHNSYGBLSSWPG-UXHICEINSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001717377282 1419369315 /nfs/dbraw/zinc/36/93/15/1419369315.db2.gz AYTLWYGYBSVYFW-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001717513318 1419422359 /nfs/dbraw/zinc/42/23/59/1419422359.db2.gz RKHJQTMSPGPIIE-SFHVURJKSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001717584183 1419456239 /nfs/dbraw/zinc/45/62/39/1419456239.db2.gz SAZCWOZUIAGDGN-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001717628700 1419477234 /nfs/dbraw/zinc/47/72/34/1419477234.db2.gz DFTYKSANRRYYJM-MRXNPFEDSA-N 2 0 330.476 2.621 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001717629821 1419478669 /nfs/dbraw/zinc/47/86/69/1419478669.db2.gz XOQCUXFTANUTQK-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC001717632272 1419480438 /nfs/dbraw/zinc/48/04/38/1419480438.db2.gz FNLLWUWTJRCSTD-NRSPTQNISA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC001717632924 1419480700 /nfs/dbraw/zinc/48/07/00/1419480700.db2.gz WNXOBJSFVULLEW-SESVDKBCSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[NH2+]CCC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001717717552 1419524304 /nfs/dbraw/zinc/52/43/04/1419524304.db2.gz ZOAUZEGRQKLMMO-LJQANCHMSA-N 2 0 329.488 2.742 10 30 EFEERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001717740982 1419532278 /nfs/dbraw/zinc/53/22/78/1419532278.db2.gz JQNNSWJYLDFWQA-UYAOXDASSA-N 2 0 343.515 2.595 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001717845158 1419574463 /nfs/dbraw/zinc/57/44/63/1419574463.db2.gz CUMSRHOKXAMBPU-IPMKNSEASA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958793 1419629325 /nfs/dbraw/zinc/62/93/25/1419629325.db2.gz ILYCAUBPRSJUHX-PKOBYXMFSA-N 2 0 347.547 2.785 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001717969994 1419634790 /nfs/dbraw/zinc/63/47/90/1419634790.db2.gz HABGQQZTCCYTAS-IBGZPJMESA-N 2 0 343.515 2.500 10 30 EFEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001717979275 1419639617 /nfs/dbraw/zinc/63/96/17/1419639617.db2.gz DHCYEAOYMASDNN-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717985709 1419643413 /nfs/dbraw/zinc/64/34/13/1419643413.db2.gz RWTDKNVOGHZQKY-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001718029317 1419668098 /nfs/dbraw/zinc/66/80/98/1419668098.db2.gz UWEDZEPFGIAZMC-KRWDZBQOSA-N 2 0 333.520 2.821 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001723300736 1424461818 /nfs/dbraw/zinc/46/18/18/1424461818.db2.gz MDJQKIXATKROPS-MJGOQNOKSA-N 2 0 333.520 2.702 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001723378652 1424480007 /nfs/dbraw/zinc/48/00/07/1424480007.db2.gz QENOTCRHPROKDV-MOPGFXCFSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001723450967 1424500196 /nfs/dbraw/zinc/50/01/96/1424500196.db2.gz MDEDEPCOUYFNJM-MOPGFXCFSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001723610110 1424535347 /nfs/dbraw/zinc/53/53/47/1424535347.db2.gz YZDNDEWWEIGKGH-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001723614691 1424536354 /nfs/dbraw/zinc/53/63/54/1424536354.db2.gz LGBSSJPVMNRTBH-UMQXSMKFSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001723610580 1424536382 /nfs/dbraw/zinc/53/63/82/1424536382.db2.gz ZWWIRBYPYPBTRE-OALUTQOASA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001723616684 1424537455 /nfs/dbraw/zinc/53/74/55/1424537455.db2.gz FEPVKIWHAPKDIO-NXEWRWPSSA-N 2 0 345.531 2.796 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001723625377 1424538564 /nfs/dbraw/zinc/53/85/64/1424538564.db2.gz UFGRRKUREYMTGV-YQQQUEKLSA-N 2 0 333.520 2.940 10 30 EFEERP CC#CC[N@H+](CCNC(=O)CCc1cncn1C)C1CCCCCC1 ZINC001723639862 1424544100 /nfs/dbraw/zinc/54/41/00/1424544100.db2.gz GURUJAIKQCBMKL-UHFFFAOYSA-N 2 0 344.503 2.517 10 30 EFEERP CC#CC[N@H+](CCNC(=O)CCc1c[nH]cn1)C1CCCCCC1 ZINC001723641355 1424545420 /nfs/dbraw/zinc/54/54/20/1424545420.db2.gz ZJDSWLGOUKXLIT-UHFFFAOYSA-N 2 0 330.476 2.507 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001723719694 1424568599 /nfs/dbraw/zinc/56/85/99/1424568599.db2.gz SUBZXISPICFBFF-QUCCMNQESA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001723722927 1424569815 /nfs/dbraw/zinc/56/98/15/1424569815.db2.gz YUQSCJXUJRTSHG-HXUWFJFHSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727273 1424570834 /nfs/dbraw/zinc/57/08/34/1424570834.db2.gz QPMHOSZICFGBFZ-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001724125270 1424666351 /nfs/dbraw/zinc/66/63/51/1424666351.db2.gz CDLWVYMXYCDAMO-HKUYNNGSSA-N 2 0 339.499 2.557 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724301991 1424725918 /nfs/dbraw/zinc/72/59/18/1424725918.db2.gz VDAUKVDNABDFEY-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001724332692 1424738419 /nfs/dbraw/zinc/73/84/19/1424738419.db2.gz JJCPKHFZRJWHCS-OAQYLSRUSA-N 2 0 343.515 2.565 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001724510962 1424775839 /nfs/dbraw/zinc/77/58/39/1424775839.db2.gz CICVYCINRGQBPC-YVWKXTFCSA-N 2 0 343.515 2.912 10 30 EFEERP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001724547230 1424790500 /nfs/dbraw/zinc/79/05/00/1424790500.db2.gz GWXXYBFGGYJMSC-PXNSSMCTSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724555020 1424794673 /nfs/dbraw/zinc/79/46/73/1424794673.db2.gz PADFAXMPCYKYSR-YLJYHZDGSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564996 1424799263 /nfs/dbraw/zinc/79/92/63/1424799263.db2.gz WFCWMMCCDAXZRY-QFBILLFUSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001724603711 1424821187 /nfs/dbraw/zinc/82/11/87/1424821187.db2.gz OVNQGUVRXCTTQB-GGPHIMKMSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001724614965 1424837497 /nfs/dbraw/zinc/83/74/97/1424837497.db2.gz UVQZRBLEYKQFIY-BCDXTJNWSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001724619305 1424844309 /nfs/dbraw/zinc/84/43/09/1424844309.db2.gz DJHJGEXAFOBJHG-FQEVSTJZSA-N 2 0 341.499 2.523 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001724660196 1424901819 /nfs/dbraw/zinc/90/18/19/1424901819.db2.gz YSVJAJOAHRMZIS-HSALFYBXSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001724744356 1424972016 /nfs/dbraw/zinc/97/20/16/1424972016.db2.gz LWZDJSUMSLJQQO-CADBVGFASA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724886176 1425099908 /nfs/dbraw/zinc/09/99/08/1425099908.db2.gz WSVFMAHKRDFUIB-LJQANCHMSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001724952324 1425160247 /nfs/dbraw/zinc/16/02/47/1425160247.db2.gz YHVDIASGRQBTFF-LPHOPBHVSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001725025634 1425236847 /nfs/dbraw/zinc/23/68/47/1425236847.db2.gz HZQOGSOXJZSKNR-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001725038108 1425249144 /nfs/dbraw/zinc/24/91/44/1425249144.db2.gz BGEUTBXYCMRMBN-LJQANCHMSA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001725043931 1425257256 /nfs/dbraw/zinc/25/72/56/1425257256.db2.gz WMLVHMZRDQLMIA-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001725050604 1425261626 /nfs/dbraw/zinc/26/16/26/1425261626.db2.gz BKPBULAHGMYCQR-PMACEKPBSA-N 2 0 341.499 2.626 10 30 EFEERP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001725050612 1425261880 /nfs/dbraw/zinc/26/18/80/1425261880.db2.gz BKPBULAHGMYCQR-UXHICEINSA-N 2 0 341.499 2.626 10 30 EFEERP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725055591 1425266055 /nfs/dbraw/zinc/26/60/55/1425266055.db2.gz MUMAHBVECVAYIT-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055704 1425266934 /nfs/dbraw/zinc/26/69/34/1425266934.db2.gz BZXYXMIWBIBZNY-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001725143075 1425331090 /nfs/dbraw/zinc/33/10/90/1425331090.db2.gz MEDODVKMQHJSPU-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725236396 1425401104 /nfs/dbraw/zinc/40/11/04/1425401104.db2.gz JIEWLTRBMLMFIY-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001725270983 1425427878 /nfs/dbraw/zinc/42/78/78/1425427878.db2.gz XPHUUYAIAZTUGZ-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001725344402 1425493437 /nfs/dbraw/zinc/49/34/37/1425493437.db2.gz GQOSEQTZOJRJDW-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C#CCC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001725426520 1425572394 /nfs/dbraw/zinc/57/23/94/1425572394.db2.gz GFIOJMTUWYTLSI-HXUWFJFHSA-N 2 0 341.499 2.503 10 30 EFEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725454789 1425591769 /nfs/dbraw/zinc/59/17/69/1425591769.db2.gz QZJVWAQIRPATNJ-HKUYNNGSSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001725634278 1425733969 /nfs/dbraw/zinc/73/39/69/1425733969.db2.gz SFKYXBNXSIUOCK-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001725634284 1425734020 /nfs/dbraw/zinc/73/40/20/1425734020.db2.gz SFKYXBNXSIUOCK-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001725680848 1425777180 /nfs/dbraw/zinc/77/71/80/1425777180.db2.gz KNTMYFKNHWNTTQ-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001725680843 1425777339 /nfs/dbraw/zinc/77/73/39/1425777339.db2.gz KNTMYFKNHWNTTQ-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001725789753 1425854027 /nfs/dbraw/zinc/85/40/27/1425854027.db2.gz MYJXWTGQMPDXAY-KKXNLOMOSA-N 2 0 347.547 2.593 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001725832881 1425899915 /nfs/dbraw/zinc/89/99/15/1425899915.db2.gz HISDIASVKNXELU-SJLPKXTDSA-N 2 0 347.478 2.838 10 30 EFEERP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731294596 1426372460 /nfs/dbraw/zinc/37/24/60/1426372460.db2.gz LVVDYYHVRPMJED-HKUYNNGSSA-N 2 0 333.520 2.633 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000891520804 714799873 /nfs/dbraw/zinc/79/98/73/714799873.db2.gz QJMRCFHXSPTDBE-GOSISDBHSA-N 2 0 348.535 2.639 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)C(C)C ZINC000891941065 715165692 /nfs/dbraw/zinc/16/56/92/715165692.db2.gz WQOJOFCLXJYTOY-SFHVURJKSA-N 2 0 348.535 2.565 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)C(C)C ZINC000891941064 715165709 /nfs/dbraw/zinc/16/57/09/715165709.db2.gz WQOJOFCLXJYTOY-GOSISDBHSA-N 2 0 348.535 2.565 10 30 EFEERP CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158388263 715541992 /nfs/dbraw/zinc/54/19/92/715541992.db2.gz SRWBIPRVEDCHCJ-SWLSCSKDSA-N 2 0 337.537 2.544 10 30 EFEERP C[NH+](C)Cc1ccc(C[NH2+]CCCCC#N)c2c1OC(F)(F)O2 ZINC000894236581 721363695 /nfs/dbraw/zinc/36/36/95/721363695.db2.gz BYNFTROEHJJHMK-UHFFFAOYSA-N 2 0 325.359 2.853 10 30 EFEERP C#CCSCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000152242438 725980120 /nfs/dbraw/zinc/98/01/20/725980120.db2.gz FAQDRJXCAZZXKF-UHFFFAOYSA-N 2 0 331.529 2.675 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000908083226 727088075 /nfs/dbraw/zinc/08/80/75/727088075.db2.gz RGRVPFGCSCUMRS-KRWDZBQOSA-N 2 0 349.544 2.845 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000941239631 727926821 /nfs/dbraw/zinc/92/68/21/727926821.db2.gz QYMHFKHGSGXCIW-IBGZPJMESA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001569446188 1085226248 /nfs/dbraw/zinc/22/62/48/1085226248.db2.gz GDEWJJCQFJJQMU-UHOSZYNNSA-N 2 0 333.520 2.891 10 30 EFEERP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001569452471 1085239161 /nfs/dbraw/zinc/23/91/61/1085239161.db2.gz TXSHCITVOBXZLD-IBGZPJMESA-N 2 0 333.520 2.750 10 30 EFEERP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001569589385 1085412276 /nfs/dbraw/zinc/41/22/76/1085412276.db2.gz KSJNFIDMNLLLJN-RBUKOAKNSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001569595903 1085419998 /nfs/dbraw/zinc/41/99/98/1085419998.db2.gz GJUJRBBNGXMACU-OALUTQOASA-N 2 0 347.547 2.547 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C1CCCC1 ZINC001569612382 1085437352 /nfs/dbraw/zinc/43/73/52/1085437352.db2.gz BZFPLQIWNCBGSY-PMACEKPBSA-N 2 0 341.499 2.577 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001569625431 1085453595 /nfs/dbraw/zinc/45/35/95/1085453595.db2.gz WOAAJESYBBUVED-AZUAARDMSA-N 2 0 333.520 2.609 10 30 EFEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001569709730 1085538629 /nfs/dbraw/zinc/53/86/29/1085538629.db2.gz ZOFXUEYWEVCQCJ-IBGZPJMESA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001569722492 1085558206 /nfs/dbraw/zinc/55/82/06/1085558206.db2.gz KTHIEGJNKSZOPP-FQEVSTJZSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569826383 1085647359 /nfs/dbraw/zinc/64/73/59/1085647359.db2.gz QYFYSSMQUOANNQ-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCCCCC)C2)CC1 ZINC001569829105 1085652152 /nfs/dbraw/zinc/65/21/52/1085652152.db2.gz SZHFWJMWTGNBPY-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001569843636 1085666182 /nfs/dbraw/zinc/66/61/82/1085666182.db2.gz SIFOEKLCQULHBH-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001569862877 1085689424 /nfs/dbraw/zinc/68/94/24/1085689424.db2.gz PUSVENMZXGOFBL-CADBVGFASA-N 2 0 335.536 2.805 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001569883478 1085716795 /nfs/dbraw/zinc/71/67/95/1085716795.db2.gz DFTPKKZJJVSDNK-AQNXPRMDSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001569915157 1085759688 /nfs/dbraw/zinc/75/96/88/1085759688.db2.gz OIXKDNJOASUIIV-RBUKOAKNSA-N 2 0 333.520 2.894 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569998670 1085840242 /nfs/dbraw/zinc/84/02/42/1085840242.db2.gz RMJZEAGLWPDMRO-MOPGFXCFSA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001569998843 1085841002 /nfs/dbraw/zinc/84/10/02/1085841002.db2.gz VEMQTJYKJUDVSL-ICSRJNTNSA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001570033210 1085884762 /nfs/dbraw/zinc/88/47/62/1085884762.db2.gz OMXNQNDFPXKPCI-XLIONFOSSA-N 2 0 341.499 2.851 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001570043408 1085897828 /nfs/dbraw/zinc/89/78/28/1085897828.db2.gz QXHFGZZTPIFWGD-GUDVDZBRSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001570052097 1085906288 /nfs/dbraw/zinc/90/62/88/1085906288.db2.gz IFGFYLYLGHCXEB-PKOBYXMFSA-N 2 0 345.531 2.607 10 30 EFEERP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001570053540 1085908078 /nfs/dbraw/zinc/90/80/78/1085908078.db2.gz IQEIUYQLSPWBKP-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C=CC[N@@H+]1CCc2c(CNC(=O)CCC[NH+]3CCCC3)cccc2C1 ZINC001570079171 1085933080 /nfs/dbraw/zinc/93/30/80/1085933080.db2.gz NVSUWXPMIMBBHQ-UHFFFAOYSA-N 2 0 341.499 2.723 10 30 EFEERP C#CC[NH+]1CCC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001570220451 1086061572 /nfs/dbraw/zinc/06/15/72/1086061572.db2.gz RVVZAKSCMVDOEP-OALUTQOASA-N 2 0 347.547 2.548 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCCCCC2CC[NH+](CC)CC2)CC1 ZINC001570267121 1086097789 /nfs/dbraw/zinc/09/77/89/1086097789.db2.gz HSAHXIHZCFOFDX-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001570269077 1086104296 /nfs/dbraw/zinc/10/42/96/1086104296.db2.gz NUBLSJOFBPVKKQ-IBGZPJMESA-N 2 0 341.499 2.590 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570272062 1086108627 /nfs/dbraw/zinc/10/86/27/1086108627.db2.gz UHEBMSBKYYSQAJ-WOJBJXKFSA-N 2 0 343.515 2.836 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001570347120 1086157841 /nfs/dbraw/zinc/15/78/41/1086157841.db2.gz UXSCADDJZCMJDT-KDOFPFPSSA-N 2 0 326.444 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C/CCC)[C@@H](C)C2)CC1 ZINC001570363484 1086169892 /nfs/dbraw/zinc/16/98/92/1086169892.db2.gz CBBHHUUOGGFAAR-KDCRJJDASA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001570374508 1086178003 /nfs/dbraw/zinc/17/80/03/1086178003.db2.gz QVRLPLGFZDKOEL-INIZCTEOSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570477803 1086266828 /nfs/dbraw/zinc/26/68/28/1086266828.db2.gz ACVJRKBTXYRJMZ-IBGZPJMESA-N 2 0 341.499 2.620 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641512 1086429804 /nfs/dbraw/zinc/42/98/04/1086429804.db2.gz MTNTWQKYPFJCHV-JKSUJKDBSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001570660129 1086442993 /nfs/dbraw/zinc/44/29/93/1086442993.db2.gz NGDVDTSCVLHRSD-ACBHZAAOSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001570803262 1086527968 /nfs/dbraw/zinc/52/79/68/1086527968.db2.gz NJFNNPNKPMYOHI-UHFFFAOYSA-N 2 0 341.499 2.794 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001570856573 1086572750 /nfs/dbraw/zinc/57/27/50/1086572750.db2.gz YHCRPLYQFBWZDW-MRXNPFEDSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001571022482 1086646373 /nfs/dbraw/zinc/64/63/73/1086646373.db2.gz MZLBASGUAYIIHC-GBESFXJTSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001571331228 1086729927 /nfs/dbraw/zinc/72/99/27/1086729927.db2.gz NHBFYXWOKVUYKV-GOSISDBHSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571335884 1086735383 /nfs/dbraw/zinc/73/53/83/1086735383.db2.gz ALCZFGRMKRYUFP-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001571462687 1086835315 /nfs/dbraw/zinc/83/53/15/1086835315.db2.gz IGTOAWOWYDTLSV-APWZRJJASA-N 2 0 329.488 2.907 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001571462688 1086835370 /nfs/dbraw/zinc/83/53/70/1086835370.db2.gz IGTOAWOWYDTLSV-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001649459523 1092491806 /nfs/dbraw/zinc/49/18/06/1092491806.db2.gz OJMITNMTOSKHIZ-IBGZPJMESA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267058986 1092498276 /nfs/dbraw/zinc/49/82/76/1092498276.db2.gz XFJFUGJWTMPXFJ-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267104881 1092736204 /nfs/dbraw/zinc/73/62/04/1092736204.db2.gz VTIHDCOLJYCWEY-OALUTQOASA-N 2 0 333.520 2.892 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001267197062 1093161886 /nfs/dbraw/zinc/16/18/86/1093161886.db2.gz QGPOLEDROCLWSF-QGZVFWFLSA-N 2 0 343.515 2.807 10 30 EFEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001267215772 1093222148 /nfs/dbraw/zinc/22/21/48/1093222148.db2.gz JTSZOKBFKIYQLQ-XLIONFOSSA-N 2 0 341.499 2.529 10 30 EFEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001267215773 1093222962 /nfs/dbraw/zinc/22/29/62/1093222962.db2.gz JTSZOKBFKIYQLQ-YLJYHZDGSA-N 2 0 341.499 2.529 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267217188 1093227183 /nfs/dbraw/zinc/22/71/83/1093227183.db2.gz AEUSAZHPWXDGKJ-QAPCUYQASA-N 2 0 327.488 2.602 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001267222248 1093250999 /nfs/dbraw/zinc/25/09/99/1093250999.db2.gz JVFHIHWUFPSGQY-KRWDZBQOSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001267324835 1093582411 /nfs/dbraw/zinc/58/24/11/1093582411.db2.gz VQGHWFRLVVAKMY-UHFFFAOYSA-N 2 0 329.916 2.688 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376414 1094369366 /nfs/dbraw/zinc/36/93/66/1094369366.db2.gz DALKDWJUNNDJFD-MJGOQNOKSA-N 2 0 329.488 2.884 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376416 1094369485 /nfs/dbraw/zinc/36/94/85/1094369485.db2.gz DALKDWJUNNDJFD-PKOBYXMFSA-N 2 0 329.488 2.884 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001267382635 1094428219 /nfs/dbraw/zinc/42/82/19/1094428219.db2.gz RVNZSZAEGXREFB-NHCUHLMSSA-N 2 0 349.478 2.760 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481461628 1094699631 /nfs/dbraw/zinc/69/96/31/1094699631.db2.gz GBHAZYFUPQRHOX-QGZVFWFLSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001481488230 1094904547 /nfs/dbraw/zinc/90/45/47/1094904547.db2.gz QMSOIVQGQLJIGM-OAHLLOKOSA-N 2 0 335.517 2.780 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001267488334 1094920050 /nfs/dbraw/zinc/92/00/50/1094920050.db2.gz JDZFYKLMTMUDAU-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001481492816 1094921482 /nfs/dbraw/zinc/92/14/82/1094921482.db2.gz NRWRGWSARQIETK-SFHVURJKSA-N 2 0 343.515 2.761 10 30 EFEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001267493752 1094963005 /nfs/dbraw/zinc/96/30/05/1094963005.db2.gz UPHUEXPKPSKVSI-QGZVFWFLSA-N 2 0 347.547 2.901 10 30 EFEERP C#CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001267494902 1094974194 /nfs/dbraw/zinc/97/41/94/1094974194.db2.gz GIXLSRUVXGKQNY-INIZCTEOSA-N 2 0 345.487 2.585 10 30 EFEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267496075 1094984305 /nfs/dbraw/zinc/98/43/05/1094984305.db2.gz LMRZXGWCTALKSN-HXUWFJFHSA-N 2 0 341.499 2.698 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001267519463 1095212725 /nfs/dbraw/zinc/21/27/25/1095212725.db2.gz GUZLBJQWAOQBEQ-SFHVURJKSA-N 2 0 329.488 2.884 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001267521525 1095226840 /nfs/dbraw/zinc/22/68/40/1095226840.db2.gz SRKNZZWSUUSAAP-GOSISDBHSA-N 2 0 327.472 2.638 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001268123293 1095420084 /nfs/dbraw/zinc/42/00/84/1095420084.db2.gz MLOYOUXGVXMEQB-PMACEKPBSA-N 2 0 347.547 2.927 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001268123294 1095420517 /nfs/dbraw/zinc/42/05/17/1095420517.db2.gz MLOYOUXGVXMEQB-UXHICEINSA-N 2 0 347.547 2.927 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCCC1 ZINC001268123296 1095420546 /nfs/dbraw/zinc/42/05/46/1095420546.db2.gz MLOYOUXGVXMEQB-WOJBJXKFSA-N 2 0 347.547 2.927 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001267544618 1095442501 /nfs/dbraw/zinc/44/25/01/1095442501.db2.gz SAFYVVDVTVMEJD-MSOLQXFVSA-N 2 0 344.503 2.725 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267548823 1095464002 /nfs/dbraw/zinc/46/40/02/1095464002.db2.gz NHLCISOUVMFVLA-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001267558705 1095528307 /nfs/dbraw/zinc/52/83/07/1095528307.db2.gz FQAAEGMFOGAMSQ-OAHLLOKOSA-N 2 0 335.517 2.828 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001267567261 1095590730 /nfs/dbraw/zinc/59/07/30/1095590730.db2.gz AEPLXOWPZXIYCB-GOSISDBHSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267575150 1095792093 /nfs/dbraw/zinc/79/20/93/1095792093.db2.gz CWCJFXGMETZVIJ-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267588527 1096008907 /nfs/dbraw/zinc/00/89/07/1096008907.db2.gz CLJRBISACUQXRT-QFBILLFUSA-N 2 0 339.499 2.555 10 30 EFEERP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001268187388 1096052628 /nfs/dbraw/zinc/05/26/28/1096052628.db2.gz DJKWKMOJKKWCQJ-UYAOXDASSA-N 2 0 347.547 2.881 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C[C@H](C)CC)CC1 ZINC001268199062 1096085860 /nfs/dbraw/zinc/08/58/60/1096085860.db2.gz CQKDBMQGSGVEQL-QUCCMNQESA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001268212019 1096112892 /nfs/dbraw/zinc/11/28/92/1096112892.db2.gz QOWQFJPNGXHNBZ-SFHVURJKSA-N 2 0 328.460 2.953 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001268265618 1096210999 /nfs/dbraw/zinc/21/09/99/1096210999.db2.gz JFSBXIZXFPKQOV-UXHICEINSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001481819374 1096742405 /nfs/dbraw/zinc/74/24/05/1096742405.db2.gz VPINKKCSYDUKQV-GDBMZVCRSA-N 2 0 327.900 2.630 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001481883694 1096856754 /nfs/dbraw/zinc/85/67/54/1096856754.db2.gz YCCQWEPJNJHGAZ-XLIONFOSSA-N 2 0 341.499 2.577 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976333 1097034197 /nfs/dbraw/zinc/03/41/97/1097034197.db2.gz HNSLMXNTWLJORW-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976332 1097034550 /nfs/dbraw/zinc/03/45/50/1097034550.db2.gz HNSLMXNTWLJORW-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001482007538 1097085348 /nfs/dbraw/zinc/08/53/48/1097085348.db2.gz MYDKZPLBTLTDGT-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001482029325 1097106688 /nfs/dbraw/zinc/10/66/88/1097106688.db2.gz JNZZMYYHHNLXER-FQEVSTJZSA-N 2 0 341.499 2.700 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)CC[N@@H+](C)CC)CC2 ZINC001482072448 1097226625 /nfs/dbraw/zinc/22/66/25/1097226625.db2.gz ZZWSSYFETGRLCV-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001269167810 1097914262 /nfs/dbraw/zinc/91/42/62/1097914262.db2.gz BHHVQONABOISNK-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001482232113 1098263615 /nfs/dbraw/zinc/26/36/15/1098263615.db2.gz ALAKISSJOVKXGN-JKSUJKDBSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001269634042 1098312065 /nfs/dbraw/zinc/31/20/65/1098312065.db2.gz JLFIQEHCKBQDRQ-MOPGFXCFSA-N 2 0 339.499 2.650 10 30 EFEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001269637121 1098313563 /nfs/dbraw/zinc/31/35/63/1098313563.db2.gz AFTNEFOUMGGHAL-FQEVSTJZSA-N 2 0 329.488 2.812 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001269651077 1098331893 /nfs/dbraw/zinc/33/18/93/1098331893.db2.gz BOJDVJUMIOXHIX-OAQYLSRUSA-N 2 0 347.547 2.642 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C[NH2+]CCC=C)CCCC[C@@H]2C)CC1 ZINC001269675954 1098348660 /nfs/dbraw/zinc/34/86/60/1098348660.db2.gz DNAMJPOOPMEQHW-RXVVDRJESA-N 2 0 345.531 2.562 10 30 EFEERP CC#CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001269676111 1098349491 /nfs/dbraw/zinc/34/94/91/1098349491.db2.gz GBWQUFRENTYOLT-ICSRJNTNSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001269700438 1098377576 /nfs/dbraw/zinc/37/75/76/1098377576.db2.gz XSBYXSZASGREKF-OAQYLSRUSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001269770757 1098437254 /nfs/dbraw/zinc/43/72/54/1098437254.db2.gz RTHINULINYWLEF-IBGZPJMESA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001482241803 1098437852 /nfs/dbraw/zinc/43/78/52/1098437852.db2.gz KXOYHPQDPLICAT-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001482243296 1098449770 /nfs/dbraw/zinc/44/97/70/1098449770.db2.gz FSAMKMNFSQCLOK-CEXWTWQISA-N 2 0 347.547 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCC)C[C@H]2C)CC1 ZINC001269989845 1098574680 /nfs/dbraw/zinc/57/46/80/1098574680.db2.gz YEXYWXBEZSQKCB-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001270065153 1098649990 /nfs/dbraw/zinc/64/99/90/1098649990.db2.gz FZBJLIBDMDBZJW-IBGZPJMESA-N 2 0 329.488 2.843 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001270065154 1098650289 /nfs/dbraw/zinc/65/02/89/1098650289.db2.gz FZBJLIBDMDBZJW-LJQANCHMSA-N 2 0 329.488 2.843 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001270075601 1098664989 /nfs/dbraw/zinc/66/49/89/1098664989.db2.gz HWIWQABPPPWFEZ-UXHICEINSA-N 2 0 341.499 2.985 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001270088757 1098681461 /nfs/dbraw/zinc/68/14/61/1098681461.db2.gz QNOPGTPZDLLZAB-LJQANCHMSA-N 2 0 329.488 2.843 10 30 EFEERP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001270118326 1098714998 /nfs/dbraw/zinc/71/49/98/1098714998.db2.gz MIRLJUQSJAPHDW-HXUWFJFHSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001267936147 1098744415 /nfs/dbraw/zinc/74/44/15/1098744415.db2.gz IJBYNNZWHPRRRJ-LJQANCHMSA-N 2 0 329.488 2.841 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001267939324 1098763745 /nfs/dbraw/zinc/76/37/45/1098763745.db2.gz LPOPZPFUKHWGGD-UHFFFAOYSA-N 2 0 337.467 2.954 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267942407 1098774960 /nfs/dbraw/zinc/77/49/60/1098774960.db2.gz FSAXUUOXGBKNIL-MRXNPFEDSA-N 2 0 326.444 2.803 10 30 EFEERP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001270335707 1098975866 /nfs/dbraw/zinc/97/58/66/1098975866.db2.gz HZKNJLBTUYUSQN-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc2ccccc2c1 ZINC001270369932 1099018330 /nfs/dbraw/zinc/01/83/30/1099018330.db2.gz RPGJCKXHVVUIPI-FQEVSTJZSA-N 2 0 349.478 2.869 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc2ccccc2c1 ZINC001270369935 1099018886 /nfs/dbraw/zinc/01/88/86/1099018886.db2.gz RPGJCKXHVVUIPI-HXUWFJFHSA-N 2 0 349.478 2.869 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCC1 ZINC001270443375 1099093770 /nfs/dbraw/zinc/09/37/70/1099093770.db2.gz SKROWSHJFZDMQK-OALUTQOASA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCCC)CC1 ZINC001270505796 1099154971 /nfs/dbraw/zinc/15/49/71/1099154971.db2.gz VISCSQPWEKSMBZ-UXHICEINSA-N 2 0 345.531 2.587 10 30 EFEERP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001270511545 1099158672 /nfs/dbraw/zinc/15/86/72/1099158672.db2.gz BPIXOPAGJHYWJX-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001270513005 1099164357 /nfs/dbraw/zinc/16/43/57/1099164357.db2.gz MSTOMXKSNAYVBO-FPOVZHCZSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001615894784 1099166433 /nfs/dbraw/zinc/16/64/33/1099166433.db2.gz MITZBKBYYBTEQU-CEXWTWQISA-N 2 0 333.520 2.818 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001671256803 1099375866 /nfs/dbraw/zinc/37/58/66/1099375866.db2.gz KQUQQALGUFEPTO-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001481342555 1099380854 /nfs/dbraw/zinc/38/08/54/1099380854.db2.gz GZDRANQDMQYIEU-UYAOXDASSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001481352632 1099428636 /nfs/dbraw/zinc/42/86/36/1099428636.db2.gz FIWSPZIITYHSJQ-UHFFFAOYSA-N 2 0 329.916 2.830 10 30 EFEERP CC(C)[NH+](CC#Cc1ccccc1)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001481358347 1099461379 /nfs/dbraw/zinc/46/13/79/1099461379.db2.gz RWOZPQOSFVADEH-UHFFFAOYSA-N 2 0 343.515 2.595 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccnc2C(C)C)C1 ZINC001481408940 1099663269 /nfs/dbraw/zinc/66/32/69/1099663269.db2.gz VKDYBWCMTDDVLC-QGZVFWFLSA-N 2 0 332.492 2.896 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001481411968 1099675163 /nfs/dbraw/zinc/67/51/63/1099675163.db2.gz NFCQYDVPRKRXTC-HXUWFJFHSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001270851335 1099718797 /nfs/dbraw/zinc/71/87/97/1099718797.db2.gz KXOYHPQDPLICAT-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001482432331 1100180459 /nfs/dbraw/zinc/18/04/59/1100180459.db2.gz LRJKXFJVWGKURB-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001270906967 1100225041 /nfs/dbraw/zinc/22/50/41/1100225041.db2.gz UOPCTOKOUCYGSG-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001271017715 1100381007 /nfs/dbraw/zinc/38/10/07/1100381007.db2.gz VFEGVWZZDDBEIZ-FPOVZHCZSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)C(C)C ZINC001632735228 1100497312 /nfs/dbraw/zinc/49/73/12/1100497312.db2.gz XVFQBGHVAAAFDL-RBUKOAKNSA-N 2 0 333.520 2.818 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482459772 1100525806 /nfs/dbraw/zinc/52/58/06/1100525806.db2.gz BHPIPDLUEHPFJR-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482470541 1100850097 /nfs/dbraw/zinc/85/00/97/1100850097.db2.gz GMGXLALSMVDCNC-JKSUJKDBSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001266598108 1101336043 /nfs/dbraw/zinc/33/60/43/1101336043.db2.gz MAEWHMJPBYVLKP-YWTNHNAXSA-N 2 0 333.520 2.985 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001670587016 1101371052 /nfs/dbraw/zinc/37/10/52/1101371052.db2.gz DRNGYUNOZMUWJA-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001280394105 1101456865 /nfs/dbraw/zinc/45/68/65/1101456865.db2.gz ABHDFQZFWGBMKM-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001266328367 1101569527 /nfs/dbraw/zinc/56/95/27/1101569527.db2.gz ABJPDFOIYXCCGM-SXLOBPIMSA-N 2 0 343.515 2.735 10 30 EFEERP C=CC[N@@H+](C)CCN(CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001654314562 1101703341 /nfs/dbraw/zinc/70/33/41/1101703341.db2.gz LIHOKNOKWKHQMI-OAQYLSRUSA-N 2 0 345.531 2.717 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001266663784 1101719337 /nfs/dbraw/zinc/71/93/37/1101719337.db2.gz QYCGHXPZUMPVCY-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1CC ZINC001271445002 1101736937 /nfs/dbraw/zinc/73/69/37/1101736937.db2.gz DOQWMBJFWOZWOV-IBGZPJMESA-N 2 0 343.515 2.607 10 30 EFEERP C=CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001266379151 1101785716 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C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001271737519 1102544931 /nfs/dbraw/zinc/54/49/31/1102544931.db2.gz AUDYVKWTRSADTH-UYAOXDASSA-N 2 0 343.515 2.564 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001271750424 1102590147 /nfs/dbraw/zinc/59/01/47/1102590147.db2.gz QJUIHNXNKMYDIU-AKHDSKFASA-N 2 0 345.531 2.796 10 30 EFEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001271750062 1102590434 /nfs/dbraw/zinc/59/04/34/1102590434.db2.gz MBDRXSFDADATGN-AKHDSKFASA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001271758669 1102603718 /nfs/dbraw/zinc/60/37/18/1102603718.db2.gz CUXDDNXVVIPYLE-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266892954 1102614652 /nfs/dbraw/zinc/61/46/52/1102614652.db2.gz UMQNTWZRHXTXHZ-WOJBJXKFSA-N 2 0 345.531 2.731 10 30 EFEERP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266904689 1102651261 /nfs/dbraw/zinc/65/12/61/1102651261.db2.gz UUXLBHWBFSTNQT-UEDWAMCQSA-N 2 0 347.547 2.900 10 30 EFEERP C=CCCC[NH2+]C1CCC(NC(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC001266912154 1102676549 /nfs/dbraw/zinc/67/65/49/1102676549.db2.gz VKWVJMZRQLWJHR-UHFFFAOYSA-N 2 0 332.492 2.910 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001271789798 1102681423 /nfs/dbraw/zinc/68/14/23/1102681423.db2.gz VCFGIPHPXOTHJE-VAMGGRTRSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001670479630 1102706624 /nfs/dbraw/zinc/70/66/24/1102706624.db2.gz JRTSPWSYCMWBCA-RTBURBONSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001271807048 1102755519 /nfs/dbraw/zinc/75/55/19/1102755519.db2.gz WVVHHBTVXYECQM-LJQANCHMSA-N 2 0 329.488 2.665 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001670512818 1102767577 /nfs/dbraw/zinc/76/75/77/1102767577.db2.gz QOHBFFWRAGCREY-OALUTQOASA-N 2 0 333.520 2.844 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001271826745 1102835817 /nfs/dbraw/zinc/83/58/17/1102835817.db2.gz LZNQZXFKULTVGJ-LJQANCHMSA-N 2 0 329.488 2.665 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001271826949 1102838494 /nfs/dbraw/zinc/83/84/94/1102838494.db2.gz NKTCQSALRWLKCS-UHFFFAOYSA-N 2 0 341.499 2.504 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001271855197 1102922824 /nfs/dbraw/zinc/92/28/24/1102922824.db2.gz YSHYPXUMFCKPMS-ZGXWSNOMSA-N 2 0 347.547 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001660859790 1103008615 /nfs/dbraw/zinc/00/86/15/1103008615.db2.gz WPTIQEGIMMGYCJ-QUCCMNQESA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001661066285 1103105916 /nfs/dbraw/zinc/10/59/16/1103105916.db2.gz KGNUDHPOIUPFGJ-DLBZAZTESA-N 2 0 339.499 2.603 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001661097478 1103129090 /nfs/dbraw/zinc/12/90/90/1103129090.db2.gz PYAHGDDOFLSSBF-UYAOXDASSA-N 2 0 347.547 2.833 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001661213598 1103180048 /nfs/dbraw/zinc/18/00/48/1103180048.db2.gz VEKNKLXKXIKVJM-OALUTQOASA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001661221641 1103186210 /nfs/dbraw/zinc/18/62/10/1103186210.db2.gz ZHJYXCFUXZFYJS-OTWHNJEPSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001661235390 1103194193 /nfs/dbraw/zinc/19/41/93/1103194193.db2.gz JBPNKZRCHCSYLO-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661554602 1103312286 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MCWVRPKZJSVODF-IPMKNSEASA-N 2 0 335.536 2.974 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001665362450 1104674667 /nfs/dbraw/zinc/67/46/67/1104674667.db2.gz AHZRHZZRPTYZOE-INIZCTEOSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628300 1104688032 /nfs/dbraw/zinc/68/80/32/1104688032.db2.gz MMBXCIDOYPPLJK-LPHOPBHVSA-N 2 0 341.515 2.944 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001665567197 1104715653 /nfs/dbraw/zinc/71/56/53/1104715653.db2.gz OLNKORPSSMWIFX-MJGOQNOKSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001665641513 1104735719 /nfs/dbraw/zinc/73/57/19/1104735719.db2.gz BHGVEDJLVKGINL-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH2+]C[C@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@@H]1C ZINC001666067019 1104846711 /nfs/dbraw/zinc/84/67/11/1104846711.db2.gz BFMJCZQYAQFEMW-LAUBAEHRSA-N 2 0 341.499 2.650 10 30 EFEERP 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1105121597 /nfs/dbraw/zinc/12/15/97/1105121597.db2.gz YHZWYZDKVOLIBE-HOCLYGCPSA-N 2 0 326.444 2.659 10 30 EFEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001667333683 1105121728 /nfs/dbraw/zinc/12/17/28/1105121728.db2.gz YHZWYZDKVOLIBE-ZBFHGGJFSA-N 2 0 326.444 2.659 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667739551 1105193880 /nfs/dbraw/zinc/19/38/80/1105193880.db2.gz ZXKFSBOIQGYQRL-ZWKOTPCHSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667739548 1105194068 /nfs/dbraw/zinc/19/40/68/1105194068.db2.gz ZXKFSBOIQGYQRL-MSOLQXFVSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001669930031 1105547599 /nfs/dbraw/zinc/54/75/99/1105547599.db2.gz HICYABLJAJVGDU-ROUUACIJSA-N 2 0 341.499 2.529 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669960574 1105555246 /nfs/dbraw/zinc/55/52/46/1105555246.db2.gz CUMKIQPRHTZBAE-ZWKOTPCHSA-N 2 0 333.520 2.703 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCC2CCCCC2)CC1 ZINC001670357891 1105624271 /nfs/dbraw/zinc/62/42/71/1105624271.db2.gz VWTNMYMOHYABOF-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CC=C)CC1 ZINC001671485495 1105644033 /nfs/dbraw/zinc/64/40/33/1105644033.db2.gz RMRZSKPXRUVDPI-UHFFFAOYSA-N 2 0 345.531 2.753 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001671504018 1105647116 /nfs/dbraw/zinc/64/71/16/1105647116.db2.gz KTBVRAWXZFCFSR-IHHMQQGQSA-N 2 0 345.531 2.611 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc2ccccc2c1 ZINC001671512414 1105648921 /nfs/dbraw/zinc/64/89/21/1105648921.db2.gz HMLYSJVJLQJHJX-LEWJYISDSA-N 2 0 349.478 2.562 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001671846214 1105712253 /nfs/dbraw/zinc/71/22/53/1105712253.db2.gz CNFRBWQOIOAEJJ-UHFFFAOYSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671886985 1105721557 /nfs/dbraw/zinc/72/15/57/1105721557.db2.gz FREKBZVTJSZLNN-AZUAARDMSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001671891908 1105722837 /nfs/dbraw/zinc/72/28/37/1105722837.db2.gz ILGQGLKQUCOCKO-LJQANCHMSA-N 2 0 333.520 2.657 10 30 EFEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001671916150 1105729666 /nfs/dbraw/zinc/72/96/66/1105729666.db2.gz FRRPQDVMHFDYCR-FPOVZHCZSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001672215600 1105777099 /nfs/dbraw/zinc/77/70/99/1105777099.db2.gz LVGYIZXWJXSVDN-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001672216660 1105777432 /nfs/dbraw/zinc/77/74/32/1105777432.db2.gz VKVAWHCODFYCRV-MJGOQNOKSA-N 2 0 343.515 2.807 10 30 EFEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001672348351 1105808193 /nfs/dbraw/zinc/80/81/93/1105808193.db2.gz MOWQKKJIQHUXNR-REPLKXPHSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001672416151 1105827244 /nfs/dbraw/zinc/82/72/44/1105827244.db2.gz CRALWFHIIYVQMF-QRVBRYPASA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001672420189 1105828646 /nfs/dbraw/zinc/82/86/46/1105828646.db2.gz WSYPNKRVNFLGSL-NSHGMRRFSA-N 2 0 345.531 2.750 10 30 EFEERP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001672925031 1105939717 /nfs/dbraw/zinc/93/97/17/1105939717.db2.gz NUKWOIYWSWWWNF-VQIMIIECSA-N 2 0 329.488 2.651 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001672986822 1105953815 /nfs/dbraw/zinc/95/38/15/1105953815.db2.gz HFWUSKWQTBDMNL-RUCARUNLSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001673008383 1105957964 /nfs/dbraw/zinc/95/79/64/1105957964.db2.gz FAPQFPBDBYEZHS-QGZVFWFLSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001673008447 1105958079 /nfs/dbraw/zinc/95/80/79/1105958079.db2.gz GZBFIWBYYOGJMC-KRWDZBQOSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@H+]3C)cccc2C1 ZINC001673075831 1105969486 /nfs/dbraw/zinc/96/94/86/1105969486.db2.gz SHBSRDDYTIYUJC-FQEVSTJZSA-N 2 0 341.499 2.721 10 30 EFEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001673202188 1105983927 /nfs/dbraw/zinc/98/39/27/1105983927.db2.gz UBJOIKJRSLKBCK-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001673496140 1106034324 /nfs/dbraw/zinc/03/43/24/1106034324.db2.gz HMPBSMNBXHFNCE-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001673597104 1106052340 /nfs/dbraw/zinc/05/23/40/1106052340.db2.gz FCOPHHQQZAJNNY-UHFFFAOYSA-N 2 0 347.528 2.807 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001673651155 1106068470 /nfs/dbraw/zinc/06/84/70/1106068470.db2.gz RBKKHSHZAOSQMO-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001673893184 1106098498 /nfs/dbraw/zinc/09/84/98/1106098498.db2.gz QOCXFVCREYNGBO-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCCCCCC)C2)CC1 ZINC001673929479 1106105139 /nfs/dbraw/zinc/10/51/39/1106105139.db2.gz SVANJFNGQKVTFE-AZUAARDMSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001674033027 1106127853 /nfs/dbraw/zinc/12/78/53/1106127853.db2.gz DTTMOXSMCRZEBX-RBUKOAKNSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001674347405 1106175249 /nfs/dbraw/zinc/17/52/49/1106175249.db2.gz DMCGUHSAIYDGDN-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001674510037 1106211292 /nfs/dbraw/zinc/21/12/92/1106211292.db2.gz ASTARCDTMGXVSD-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001675129999 1106305432 /nfs/dbraw/zinc/30/54/32/1106305432.db2.gz RGQPYYICCOUACW-GOSISDBHSA-N 2 0 335.536 2.735 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001675139761 1106307821 /nfs/dbraw/zinc/30/78/21/1106307821.db2.gz IDYVGXBUVAEYEZ-UXHICEINSA-N 2 0 349.563 2.983 10 30 EFEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001675234690 1106320721 /nfs/dbraw/zinc/32/07/21/1106320721.db2.gz ZOVIMAAVKQBQFN-QAPCUYQASA-N 2 0 327.488 2.650 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC001675693096 1106412411 /nfs/dbraw/zinc/41/24/11/1106412411.db2.gz RBVRIIAPMNKOTC-JYAXBFRTSA-N 2 0 347.547 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)[C@@H](C)CCC=C)CC2)CC1 ZINC001676082190 1106482165 /nfs/dbraw/zinc/48/21/65/1106482165.db2.gz HAGPPDLUZJUQJA-SFHVURJKSA-N 2 0 345.531 2.609 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001676145096 1106492544 /nfs/dbraw/zinc/49/25/44/1106492544.db2.gz UMURPDHOMLYYNI-LJQANCHMSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001676239114 1106504326 /nfs/dbraw/zinc/50/43/26/1106504326.db2.gz PQYDIHTVCFFZJN-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001676668040 1106555593 /nfs/dbraw/zinc/55/55/93/1106555593.db2.gz JSTJGFAYRFVXDY-VQIMIIECSA-N 2 0 329.488 2.559 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001676837694 1106599043 /nfs/dbraw/zinc/59/90/43/1106599043.db2.gz LSCDEQWHJRRKTD-KZNAEPCWSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001676879080 1106614677 /nfs/dbraw/zinc/61/46/77/1106614677.db2.gz KNHGPVMOVSFGEV-HKUYNNGSSA-N 2 0 333.520 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306649 1106694695 /nfs/dbraw/zinc/69/46/95/1106694695.db2.gz MXQRMVHCDQUZHF-HKUYNNGSSA-N 2 0 347.547 2.807 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306650 1106694712 /nfs/dbraw/zinc/69/47/12/1106694712.db2.gz MXQRMVHCDQUZHF-IEBWSBKVSA-N 2 0 347.547 2.807 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306652 1106694985 /nfs/dbraw/zinc/69/49/85/1106694985.db2.gz MXQRMVHCDQUZHF-PKOBYXMFSA-N 2 0 347.547 2.807 10 30 EFEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001677367905 1106706597 /nfs/dbraw/zinc/70/65/97/1106706597.db2.gz QEVPFNUBMXMBBV-PXNSSMCTSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCCCCC)CC2)CC1 ZINC001677632685 1106795581 /nfs/dbraw/zinc/79/55/81/1106795581.db2.gz SOOFIZGDLYWDNC-UHFFFAOYSA-N 2 0 345.531 2.660 10 30 EFEERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001409349835 1107635865 /nfs/dbraw/zinc/63/58/65/1107635865.db2.gz GROXEQLBNBWASZ-HZPDHXFCSA-N 2 0 344.503 2.519 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272320680 1107809301 /nfs/dbraw/zinc/80/93/01/1107809301.db2.gz CCCZUBBENGECOQ-OALUTQOASA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001272439416 1108317303 /nfs/dbraw/zinc/31/73/03/1108317303.db2.gz HKLGTDFQDGSFML-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001483197973 1109997763 /nfs/dbraw/zinc/99/77/63/1109997763.db2.gz JQIUNRGKQJXFLG-YLJYHZDGSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001483800412 1112459554 /nfs/dbraw/zinc/45/95/54/1112459554.db2.gz YVWAZYKVWZNDNR-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483817746 1112468196 /nfs/dbraw/zinc/46/81/96/1112468196.db2.gz XVGRIFDUAFYNQP-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001483816517 1112485082 /nfs/dbraw/zinc/48/50/82/1112485082.db2.gz DIUOTUGSKMSQFB-VQTJNVASSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001483829262 1112489617 /nfs/dbraw/zinc/48/96/17/1112489617.db2.gz BRCPHMCSKWVKQO-HKUYNNGSSA-N 2 0 339.499 2.557 10 30 EFEERP C=CC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001483835058 1112495915 /nfs/dbraw/zinc/49/59/15/1112495915.db2.gz LIVRYMBCAARASQ-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001483846871 1112507889 /nfs/dbraw/zinc/50/78/89/1112507889.db2.gz CUASOIYTZPYSFC-RXVVDRJESA-N 2 0 347.547 2.997 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001483847033 1112508560 /nfs/dbraw/zinc/50/85/60/1112508560.db2.gz IGSYNHXAGQXSAU-QUCCMNQESA-N 2 0 335.536 2.833 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483929587 1112572408 /nfs/dbraw/zinc/57/24/08/1112572408.db2.gz MPWXGQVAYCVLAM-RBUKOAKNSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001484022940 1112676540 /nfs/dbraw/zinc/67/65/40/1112676540.db2.gz RRRINYZHNXPKKU-PZJWPPBQSA-N 2 0 347.547 2.835 10 30 EFEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001484553448 1113005823 /nfs/dbraw/zinc/00/58/23/1113005823.db2.gz FHFUERCEFVTYSO-HXUWFJFHSA-N 2 0 341.499 2.632 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)C)CC2)CC1 ZINC001484574542 1113027360 /nfs/dbraw/zinc/02/73/60/1113027360.db2.gz GEPORQUZYFGHRA-KESTWPANSA-N 2 0 347.547 2.642 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)C[NH+]3CCC(C)CC3)cccc2C1 ZINC001484612397 1113054387 /nfs/dbraw/zinc/05/43/87/1113054387.db2.gz BTCAJWPGKAPGHI-UHFFFAOYSA-N 2 0 341.499 2.579 10 30 EFEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001484916022 1117815442 /nfs/dbraw/zinc/81/54/42/1117815442.db2.gz HTZBRFMIZBOTCZ-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001484916021 1117815629 /nfs/dbraw/zinc/81/56/29/1117815629.db2.gz HTZBRFMIZBOTCZ-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001484917465 1117817349 /nfs/dbraw/zinc/81/73/49/1117817349.db2.gz HKIUJBJQTKQDDO-SFHVURJKSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943294 1117870385 /nfs/dbraw/zinc/87/03/85/1117870385.db2.gz MBQJXRPXJROMPZ-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC)[C@@H](C)C2)CC1 ZINC001484985784 1117911774 /nfs/dbraw/zinc/91/17/74/1117911774.db2.gz KRNIOMXOKWWTOA-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485005321 1117934706 /nfs/dbraw/zinc/93/47/06/1117934706.db2.gz ALINJPKBGKCMAS-FQEVSTJZSA-N 2 0 341.499 2.764 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001485031729 1117957076 /nfs/dbraw/zinc/95/70/76/1117957076.db2.gz TUQWWSSBSWPDGE-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001485031871 1117957324 /nfs/dbraw/zinc/95/73/24/1117957324.db2.gz VBRRTJFZERDBKB-FQEVSTJZSA-N 2 0 347.547 2.855 10 30 EFEERP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001485081523 1118030916 /nfs/dbraw/zinc/03/09/16/1118030916.db2.gz FCYMCSNXZWOJFX-MSOLQXFVSA-N 2 0 335.536 2.711 10 30 EFEERP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001485081526 1118031249 /nfs/dbraw/zinc/03/12/49/1118031249.db2.gz FCYMCSNXZWOJFX-ZWKOTPCHSA-N 2 0 335.536 2.711 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001485263529 1118182545 /nfs/dbraw/zinc/18/25/45/1118182545.db2.gz IABRRNMBNJTSRA-HOTGVXAUSA-N 2 0 343.943 2.934 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001485432754 1118345126 /nfs/dbraw/zinc/34/51/26/1118345126.db2.gz BWJMHXZULMDOSX-WOJBJXKFSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485439682 1118351922 /nfs/dbraw/zinc/35/19/22/1118351922.db2.gz JCIQYSMLAYVODZ-JKSUJKDBSA-N 2 0 329.916 2.543 10 30 EFEERP C=CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C(C)(C)C1 ZINC001485569805 1118456710 /nfs/dbraw/zinc/45/67/10/1118456710.db2.gz OJXQLJUFANHBPG-INIZCTEOSA-N 2 0 332.492 2.719 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001485653961 1118501001 /nfs/dbraw/zinc/50/10/01/1118501001.db2.gz OXEGSJIMNKUGIY-OKZBNKHCSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001485779324 1118587781 /nfs/dbraw/zinc/58/77/81/1118587781.db2.gz ADZKLVPYRXPIED-RTBURBONSA-N 2 0 329.488 2.742 10 30 EFEERP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800534 1118633831 /nfs/dbraw/zinc/63/38/31/1118633831.db2.gz BZVSKDHTPKZNES-OALUTQOASA-N 2 0 345.531 2.633 10 30 EFEERP C[C@H]1CCCN(C(=[NH2+])NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000262430892 240352067 /nfs/dbraw/zinc/35/20/67/240352067.db2.gz DWRDTYOFRDNQAI-GRTSSRMGSA-N 2 0 346.441 2.838 10 30 EFEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262459218 240354423 /nfs/dbraw/zinc/35/44/23/240354423.db2.gz LZEMWGRJPXYNOT-SJORKVTESA-N 2 0 346.544 2.770 10 30 EFEERP [NH2+]=C(Nc1ccc2c(c1)OCCCO2)NC1CC([NH+]2CCCCC2)C1 ZINC000262479336 240357754 /nfs/dbraw/zinc/35/77/54/240357754.db2.gz QZBZKCUMWVLYDE-UHFFFAOYSA-N 2 0 344.459 2.591 10 30 EFEERP CCO[C@@H]1C[C@@H](NC(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)=[NH+]C)C12CCC2 ZINC000246326141 240268117 /nfs/dbraw/zinc/26/81/17/240268117.db2.gz FXCORWZNALXWQD-PYWTVGQWSA-N 2 0 348.535 2.514 10 30 EFEERP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N(C)Cc1csc(C)n1 ZINC000261831832 240327420 /nfs/dbraw/zinc/32/74/20/240327420.db2.gz VMNNAVUNSIDAKL-KBPBESRZSA-N 2 0 337.537 2.722 10 30 EFEERP CC[NH+]=C(NCc1cc(F)cc(F)c1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261938906 240329378 /nfs/dbraw/zinc/32/93/78/240329378.db2.gz DCDFONLJSUMDMZ-YVEFUNNKSA-N 2 0 336.430 2.503 10 30 EFEERP Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)CCC2 ZINC000328641468 241210185 /nfs/dbraw/zinc/21/01/85/241210185.db2.gz DHKGVWDATKLOAP-DOTOQJQBSA-N 2 0 346.475 2.669 10 30 EFEERP Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CCC2 ZINC000328641659 241210218 /nfs/dbraw/zinc/21/02/18/241210218.db2.gz DHKGVWDATKLOAP-RDJZCZTQSA-N 2 0 346.475 2.669 10 30 EFEERP Cc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1C#N ZINC000444002510 250247596 /nfs/dbraw/zinc/24/75/96/250247596.db2.gz OJFAHDACIVQNSJ-UHFFFAOYSA-N 2 0 340.515 2.907 10 30 EFEERP C=CCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000449756123 251143092 /nfs/dbraw/zinc/14/30/92/251143092.db2.gz VSYMAHBPQWVDRV-UHFFFAOYSA-N 2 0 331.504 2.757 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)(N2CCCCC2)CC1 ZINC000344606495 142047897 /nfs/dbraw/zinc/04/78/97/142047897.db2.gz NZUQRHKNMCHBHH-UHFFFAOYSA-N 2 0 344.478 2.737 10 30 EFEERP N#Cc1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000567645832 319192203 /nfs/dbraw/zinc/19/22/03/319192203.db2.gz BWNWDKWYELUOCP-FPOVZHCZSA-N 2 0 349.434 2.783 10 30 EFEERP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594033065 479558191 /nfs/dbraw/zinc/55/81/91/479558191.db2.gz GQIYMUNXVUFBQQ-UHFFFAOYSA-N 2 0 340.515 2.943 10 30 EFEERP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246492469 473880700 /nfs/dbraw/zinc/88/07/00/473880700.db2.gz HFBJEBJKLBUFKD-YSIASYRMSA-N 2 0 325.456 2.540 10 30 EFEERP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271094067 474401190 /nfs/dbraw/zinc/40/11/90/474401190.db2.gz XTZXNSKJZBFOAR-KMFTYDHNSA-N 2 0 340.515 2.616 10 30 EFEERP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCCN1C1CC1 ZINC000284465768 474645992 /nfs/dbraw/zinc/64/59/92/474645992.db2.gz HUFQZMWVFHXLBM-GHTZIAJQSA-N 2 0 349.482 2.997 10 30 EFEERP Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1C#N ZINC000310837548 474829211 /nfs/dbraw/zinc/82/92/11/474829211.db2.gz MZPDQXWKCNXPTO-HLAWJBBLSA-N 2 0 334.467 2.897 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415121919 476908227 /nfs/dbraw/zinc/90/82/27/476908227.db2.gz HTMKMYJUGZWOTC-UYAOXDASSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000415128558 476909101 /nfs/dbraw/zinc/90/91/01/476909101.db2.gz SHQBAPZCEUYEFI-QUCCMNQESA-N 2 0 330.472 2.970 10 30 EFEERP COc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C#N ZINC000423131490 476939101 /nfs/dbraw/zinc/93/91/01/476939101.db2.gz ZXHJAGJEKKAFGG-WIYYLYMNSA-N 2 0 349.434 2.912 10 30 EFEERP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000447597945 477019860 /nfs/dbraw/zinc/01/98/60/477019860.db2.gz UGPDWWGGIRYGQX-MOPGFXCFSA-N 2 0 344.503 2.691 10 30 EFEERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(C#N)cc1F ZINC000423523500 477062032 /nfs/dbraw/zinc/06/20/32/477062032.db2.gz VXUOPXWMRJNKRX-ODIFPOPNSA-N 2 0 330.451 2.564 10 30 EFEERP CC1(C)C[C@@H]([NH2+]CC#CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000472455647 478014380 /nfs/dbraw/zinc/01/43/80/478014380.db2.gz LMKSTXRWIUDELE-HZPDHXFCSA-N 2 0 336.520 2.861 10 30 EFEERP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436823 478386325 /nfs/dbraw/zinc/38/63/25/478386325.db2.gz GGTKMVWQEDZFNT-BHIYHBOVSA-N 2 0 342.487 2.567 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000594436883 478386838 /nfs/dbraw/zinc/38/68/38/478386838.db2.gz GLTJMYATICVARV-QGZVFWFLSA-N 2 0 346.500 2.585 10 30 EFEERP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441870 478390251 /nfs/dbraw/zinc/39/02/51/478390251.db2.gz XLXHXFRFKVKCSX-RBUKOAKNSA-N 2 0 342.487 2.521 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000594441935 478390365 /nfs/dbraw/zinc/39/03/65/478390365.db2.gz YWNDYAQFPXPPCH-MOPGFXCFSA-N 2 0 342.487 2.741 10 30 EFEERP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000594937880 478595285 /nfs/dbraw/zinc/59/52/85/478595285.db2.gz JLONPGXACNZBPP-KRWDZBQOSA-N 2 0 327.472 2.832 10 30 EFEERP COc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1C#N ZINC000594953873 478603378 /nfs/dbraw/zinc/60/33/78/478603378.db2.gz KAQCLVFLFUQCTO-UHFFFAOYSA-N 2 0 343.471 2.547 10 30 EFEERP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000594953800 478603462 /nfs/dbraw/zinc/60/34/62/478603462.db2.gz HKIPSMAMUCUICO-UHFFFAOYSA-N 2 0 331.435 2.678 10 30 EFEERP N#Cc1cccc(C2([NH2+]Cc3ccc4c(c3)C[NH2+]CC4)CCOCC2)c1 ZINC000595908868 479064613 /nfs/dbraw/zinc/06/46/13/479064613.db2.gz IWCMZCYSFOMRJK-UHFFFAOYSA-N 2 0 347.462 2.999 10 30 EFEERP CN(CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)CC[NH+](C)C ZINC000598918536 479086121 /nfs/dbraw/zinc/08/61/21/479086121.db2.gz KPRXOJVIUMVROX-UHFFFAOYSA-N 2 0 342.409 2.550 10 30 EFEERP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1C#N ZINC000599339468 479260075 /nfs/dbraw/zinc/26/00/75/479260075.db2.gz PWIMIQBDGNLEQR-UHFFFAOYSA-N 2 0 340.515 2.857 10 30 EFEERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599364688 479270651 /nfs/dbraw/zinc/27/06/51/479270651.db2.gz ZSJHTCSEOFVCPN-KVPLUYHFSA-N 2 0 341.499 2.787 10 30 EFEERP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705874 481273251 /nfs/dbraw/zinc/27/32/51/481273251.db2.gz ZKBIHOIEBXCGAF-BJLQDIEVSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCCn1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)nn1 ZINC000653662126 481392727 /nfs/dbraw/zinc/39/27/27/481392727.db2.gz UQWOMVSVOXTSFE-MRXNPFEDSA-N 2 0 340.475 2.767 10 30 EFEERP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653874441 481505719 /nfs/dbraw/zinc/50/57/19/481505719.db2.gz GXHGSWHEOATZOU-IYWMVGAKSA-N 2 0 336.520 2.864 10 30 EFEERP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653874440 481505801 /nfs/dbraw/zinc/50/58/01/481505801.db2.gz GXHGSWHEOATZOU-FGYAAKKASA-N 2 0 336.520 2.864 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666876 481923489 /nfs/dbraw/zinc/92/34/89/481923489.db2.gz WXKXTMFYXFVRPD-QUCCMNQESA-N 2 0 327.472 2.638 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678942 481930913 /nfs/dbraw/zinc/93/09/13/481930913.db2.gz KRPSZUPQCAPMTM-FPOVZHCZSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[C@@]1(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748848 481958159 /nfs/dbraw/zinc/95/81/59/481958159.db2.gz DQYGUUBGDQCKTC-NQIIRXRSSA-N 2 0 341.499 2.808 10 30 EFEERP C=CC[C@]1(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662748847 481958906 /nfs/dbraw/zinc/95/89/06/481958906.db2.gz DQYGUUBGDQCKTC-GHTZIAJQSA-N 2 0 341.499 2.808 10 30 EFEERP C[NH+]=C(NCc1nccc2ccccc21)NC1CC[NH+](C(C)C)CC1 ZINC000172288713 526390331 /nfs/dbraw/zinc/39/03/31/526390331.db2.gz VZSZWCRPKGUJNB-UHFFFAOYSA-N 2 0 339.487 2.773 10 30 EFEERP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649923 526539015 /nfs/dbraw/zinc/53/90/15/526539015.db2.gz DZNAOTFNFZZXRY-QZTJIDSGSA-N 2 0 344.503 2.937 10 30 EFEERP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262767361 535261004 /nfs/dbraw/zinc/26/10/04/535261004.db2.gz HQVUQODCKJTQAI-MRXNPFEDSA-N 2 0 338.565 2.702 10 30 EFEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262531489 535549016 /nfs/dbraw/zinc/54/90/16/535549016.db2.gz NUTUNYUSVXMYMV-TYNCELHUSA-N 2 0 338.858 2.724 10 30 EFEERP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262849207 535596489 /nfs/dbraw/zinc/59/64/89/535596489.db2.gz WLNISWOWLQHUTD-JQFCIGGWSA-N 2 0 336.430 2.599 10 30 EFEERP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946582 1249026741 /nfs/dbraw/zinc/02/67/41/1249026741.db2.gz HKNYNXQTMHSXOF-IRXDYDNUSA-N 2 0 341.515 2.849 10 30 EFEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001691445692 1249138212 /nfs/dbraw/zinc/13/82/12/1249138212.db2.gz KEOAJXQXLNBJAA-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001691445689 1249138474 /nfs/dbraw/zinc/13/84/74/1249138474.db2.gz KEOAJXQXLNBJAA-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001268120884 1249697811 /nfs/dbraw/zinc/69/78/11/1249697811.db2.gz QEJLEOPLKMIVEX-MOPGFXCFSA-N 2 0 333.520 2.559 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CCCCCC2)CC1 ZINC001772517029 1247933436 /nfs/dbraw/zinc/93/34/36/1247933436.db2.gz DBNLWWPPQAJDJL-GOSISDBHSA-N 2 0 347.547 2.786 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001691768661 1248018049 /nfs/dbraw/zinc/01/80/49/1248018049.db2.gz XSGNSPHQMXEDDJ-WOJBJXKFSA-N 2 0 341.499 2.674 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692000033 1248373174 /nfs/dbraw/zinc/37/31/74/1248373174.db2.gz XSCCOCAAGREJJY-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484121689 1252296254 /nfs/dbraw/zinc/29/62/54/1252296254.db2.gz HCYMHHSDMFPJDS-AZUAARDMSA-N 2 0 329.488 2.694 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484352750 1252442294 /nfs/dbraw/zinc/44/22/94/1252442294.db2.gz AJTHDKKEIFIDLK-LPHOPBHVSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001484371081 1252464819 /nfs/dbraw/zinc/46/48/19/1252464819.db2.gz GZBZIYQOKIFURO-HOCLYGCPSA-N 2 0 326.444 2.517 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](C[NH2+]CCCCCC)C2)CC1 ZINC001484384120 1252487637 /nfs/dbraw/zinc/48/76/37/1252487637.db2.gz IPCWFGGDZKMNGH-AZUAARDMSA-N 2 0 347.547 2.596 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001484399752 1252536560 /nfs/dbraw/zinc/53/65/60/1252536560.db2.gz VCGWAHBEXRRXOY-HXUWFJFHSA-N 2 0 341.499 2.501 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484413929 1252561716 /nfs/dbraw/zinc/56/17/16/1252561716.db2.gz WYJBNCSXJRFUBP-GBESFXJTSA-N 2 0 335.536 2.689 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484561517 1252756654 /nfs/dbraw/zinc/75/66/54/1252756654.db2.gz ZWEYHXWSFQVTRR-YOEHRIQHSA-N 2 0 335.879 2.800 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001484770602 1252938224 /nfs/dbraw/zinc/93/82/24/1252938224.db2.gz HJABQXDALXGCNZ-RTBURBONSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001670918661 1258606260 /nfs/dbraw/zinc/60/62/60/1258606260.db2.gz LJSRZYYLYHECPB-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001670919493 1258633367 /nfs/dbraw/zinc/63/33/67/1258633367.db2.gz VEZUTEYNDCHZJL-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP COC[C@H](C)NC(NCc1ccccc1)=[NH+]CCCC[NH+]1CCCC1 ZINC000073552081 1259213195 /nfs/dbraw/zinc/21/31/95/1259213195.db2.gz OZMNEYLIAZRWOT-SFHVURJKSA-N 2 0 346.519 2.633 10 30 EFEERP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001670989012 1259345319 /nfs/dbraw/zinc/34/53/19/1259345319.db2.gz FDFBBNSPLGNAGG-LJQANCHMSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001272825918 1261059343 /nfs/dbraw/zinc/05/93/43/1261059343.db2.gz LJQAFSISCYYYLZ-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)CC1 ZINC001272826947 1261072889 /nfs/dbraw/zinc/07/28/89/1261072889.db2.gz YKYPRWURDTUSNE-LJQANCHMSA-N 2 0 341.499 2.790 10 30 EFEERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921694151 1261139166 /nfs/dbraw/zinc/13/91/66/1261139166.db2.gz KARNACASQNTPSL-UHFFFAOYSA-N 2 0 329.469 2.892 10 30 EFEERP CC[NH+]=C(NCc1ncc(C)s1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000086741183 1261339699 /nfs/dbraw/zinc/33/96/99/1261339699.db2.gz QSYXFNUWDZOVNU-CQSZACIVSA-N 2 0 335.521 2.524 10 30 EFEERP N#Cc1ccc([C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923508883 1261810535 /nfs/dbraw/zinc/81/05/35/1261810535.db2.gz XXCOTKHTOXGSIK-YLJYHZDGSA-N 2 0 327.472 2.693 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001486248094 1262852463 /nfs/dbraw/zinc/85/24/63/1262852463.db2.gz SHZYLCFKPJKJRB-GOSISDBHSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001486422541 1263072490 /nfs/dbraw/zinc/07/24/90/1263072490.db2.gz BFZWZJDNAPCRLJ-CABCVRRESA-N 2 0 329.916 2.734 10 30 EFEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486450078 1263142821 /nfs/dbraw/zinc/14/28/21/1263142821.db2.gz ANTBQGHYBVESOU-ICSRJNTNSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001486451743 1263147413 /nfs/dbraw/zinc/14/74/13/1263147413.db2.gz BIFLCAGVFAMXRM-HUUCEWRRSA-N 2 0 349.441 2.663 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001273205288 1263207552 /nfs/dbraw/zinc/20/75/52/1263207552.db2.gz YEUWMXDYNGFCKJ-HZPDHXFCSA-N 2 0 329.916 2.734 10 30 EFEERP C=CCCCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001486509216 1263281409 /nfs/dbraw/zinc/28/14/09/1263281409.db2.gz NTMONEMXGIYVMR-LJQANCHMSA-N 2 0 333.520 2.965 10 30 EFEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001691663621 1264358051 /nfs/dbraw/zinc/35/80/51/1264358051.db2.gz TXJWOHFJHTZDQY-QFBILLFUSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001671059835 1270141616 /nfs/dbraw/zinc/14/16/16/1270141616.db2.gz RLJUMJZQRZBILJ-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001691671702 1272053939 /nfs/dbraw/zinc/05/39/39/1272053939.db2.gz LRDZCHUSFLMURO-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001136362177 1277268447 /nfs/dbraw/zinc/26/84/47/1277268447.db2.gz SBJXOHIQZYQMJW-MJGOQNOKSA-N 2 0 329.488 2.788 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001144203868 1279259976 /nfs/dbraw/zinc/25/99/76/1279259976.db2.gz FNUQYPYKISOUAU-OALUTQOASA-N 2 0 335.536 2.922 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000872222720 1287484843 /nfs/dbraw/zinc/48/48/43/1287484843.db2.gz BNXCQOYVVGGINW-HXUWFJFHSA-N 2 0 341.499 2.933 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903458703 1312712907 /nfs/dbraw/zinc/71/29/07/1312712907.db2.gz HOJQYCLAOAOXKF-PMACEKPBSA-N 2 0 327.472 2.893 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000903474272 1312737367 /nfs/dbraw/zinc/73/73/67/1312737367.db2.gz KSBZEVZTGHRUGZ-IBGZPJMESA-N 2 0 327.472 2.766 10 30 EFEERP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496625 1312772083 /nfs/dbraw/zinc/77/20/83/1312772083.db2.gz WFRHWUQMVBIRGO-OWCLPIDISA-N 2 0 335.517 2.568 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738554 1290997220 /nfs/dbraw/zinc/99/72/20/1290997220.db2.gz GSAABRDMORVAKF-HIFRSBDPSA-N 2 0 341.908 2.546 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000876739839 1290998875 /nfs/dbraw/zinc/99/88/75/1290998875.db2.gz JIGAJIDNENJODE-JYJNAYRXSA-N 2 0 327.900 2.569 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000876745726 1291001897 /nfs/dbraw/zinc/00/18/97/1291001897.db2.gz KSQUOYIZZKHLNY-AWEZNQCLSA-N 2 0 336.867 2.601 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000876777898 1291020537 /nfs/dbraw/zinc/02/05/37/1291020537.db2.gz SKAYZIMQYDASGT-UONOGXRCSA-N 2 0 330.259 2.529 10 30 EFEERP C#CCCCCCC[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000876937597 1291079074 /nfs/dbraw/zinc/07/90/74/1291079074.db2.gz ZHMOANUSXADANI-UHFFFAOYSA-N 2 0 328.504 2.897 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001273607066 1292289694 /nfs/dbraw/zinc/28/96/94/1292289694.db2.gz IAIVWJWKUJIWKT-UXHICEINSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273610464 1292368684 /nfs/dbraw/zinc/36/86/84/1292368684.db2.gz NLDMFGGHILWIQP-SFHVURJKSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCC[C@H](COc1ccccc1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000883186470 1293498415 /nfs/dbraw/zinc/49/84/15/1293498415.db2.gz SNRALFGGWGXBHB-RTBURBONSA-N 2 0 331.504 2.626 10 30 EFEERP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CCCO1 ZINC000883216904 1293509497 /nfs/dbraw/zinc/50/94/97/1293509497.db2.gz XTUHRNJBQLKXHH-ACRUOGEOSA-N 2 0 344.499 2.857 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001276447046 1313098270 /nfs/dbraw/zinc/09/82/70/1313098270.db2.gz CWMLKKOVXQQSID-DLBZAZTESA-N 2 0 335.536 2.898 10 30 EFEERP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277851808 1313116536 /nfs/dbraw/zinc/11/65/36/1313116536.db2.gz ORDDWRRPPQXGDI-OALUTQOASA-N 2 0 335.536 2.879 10 30 EFEERP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727494 1313125174 /nfs/dbraw/zinc/12/51/74/1313125174.db2.gz TXIMMIXEZNJEJY-SFHVURJKSA-N 2 0 345.443 2.742 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001273807558 1295969804 /nfs/dbraw/zinc/96/98/04/1295969804.db2.gz MZRCRDXKJHTZHV-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001274955717 1296219738 /nfs/dbraw/zinc/21/97/38/1296219738.db2.gz QDTMPVFGTFDTQM-HKUYNNGSSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001274954856 1296220216 /nfs/dbraw/zinc/22/02/16/1296220216.db2.gz AXZOOGLKNXSJED-UHFFFAOYSA-N 2 0 335.536 2.548 10 30 EFEERP N#Cc1ccccc1N1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903935457 1313444556 /nfs/dbraw/zinc/44/45/56/1313444556.db2.gz PZPJKXMAIIRAIK-UHFFFAOYSA-N 2 0 346.478 2.963 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001488998186 1297952516 /nfs/dbraw/zinc/95/25/16/1297952516.db2.gz MXPBWAFAVOMIAW-RHSMWYFYSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)CN1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)[C@H]21 ZINC001489087360 1298008162 /nfs/dbraw/zinc/00/81/62/1298008162.db2.gz QKBZNFDUKXCMTP-OIISXLGYSA-N 2 0 341.927 2.686 10 30 EFEERP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001489091290 1298052449 /nfs/dbraw/zinc/05/24/49/1298052449.db2.gz VDHCKYLRKYBKTE-VAMGGRTRSA-N 2 0 343.515 2.877 10 30 EFEERP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349297 1298204815 /nfs/dbraw/zinc/20/48/15/1298204815.db2.gz FKXXICQHRQFNPT-RBUKOAKNSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001490599632 1299023164 /nfs/dbraw/zinc/02/31/64/1299023164.db2.gz RYRJWNPGBUIQEN-HZPDHXFCSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765081 1299211836 /nfs/dbraw/zinc/21/18/36/1299211836.db2.gz BYNGJJIAJDWBOT-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001490768077 1299218359 /nfs/dbraw/zinc/21/83/59/1299218359.db2.gz YIMCWMXJTUKCSP-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001490793941 1299263846 /nfs/dbraw/zinc/26/38/46/1299263846.db2.gz RLQRTCSLBRUQEC-QRVBRYPASA-N 2 0 345.531 2.892 10 30 EFEERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852858179 1299915665 /nfs/dbraw/zinc/91/56/65/1299915665.db2.gz SKNIGFZRKINEBO-QGZVFWFLSA-N 2 0 339.483 2.860 10 30 EFEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001278188376 1313760828 /nfs/dbraw/zinc/76/08/28/1313760828.db2.gz ODAIPBDXYCTAMU-GOSISDBHSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001278200446 1313781114 /nfs/dbraw/zinc/78/11/14/1313781114.db2.gz JAIWTIZAYJPAKJ-IBGZPJMESA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001278283888 1313872515 /nfs/dbraw/zinc/87/25/15/1313872515.db2.gz ZLBDOWXJCQLLCX-HXUWFJFHSA-N 2 0 341.499 2.650 10 30 EFEERP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000866444619 1303643919 /nfs/dbraw/zinc/64/39/19/1303643919.db2.gz BYVZLCKNBYQPKZ-UHFFFAOYSA-N 2 0 326.488 2.989 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000900435271 1308161175 /nfs/dbraw/zinc/16/11/75/1308161175.db2.gz HURKWRJOEFZTGZ-LJQANCHMSA-N 2 0 329.488 2.756 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000900435270 1308161402 /nfs/dbraw/zinc/16/14/02/1308161402.db2.gz HURKWRJOEFZTGZ-IBGZPJMESA-N 2 0 329.488 2.756 10 30 EFEERP C=CC[NH+]1CCC(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900598857 1308383498 /nfs/dbraw/zinc/38/34/98/1308383498.db2.gz MHWZAYZAOVMIIS-UHFFFAOYSA-N 2 0 326.444 2.671 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000900957799 1309035378 /nfs/dbraw/zinc/03/53/78/1309035378.db2.gz BHLDRCCIPMDKQJ-MJGOQNOKSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000901064298 1309336708 /nfs/dbraw/zinc/33/67/08/1309336708.db2.gz OUZRSRZGOBQHJP-QZTJIDSGSA-N 2 0 343.515 2.767 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000901117468 1309509305 /nfs/dbraw/zinc/50/93/05/1309509305.db2.gz IRRVJUJVUYXOSL-UHFFFAOYSA-N 2 0 345.487 2.998 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000901191967 1309767221 /nfs/dbraw/zinc/76/72/21/1309767221.db2.gz CBNXXZZXHONVJG-UYAOXDASSA-N 2 0 343.515 2.911 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000901308496 1310107547 /nfs/dbraw/zinc/10/75/47/1310107547.db2.gz ZABBGZWRTVNNFA-UHFFFAOYSA-N 2 0 344.503 2.654 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278382997 1314384282 /nfs/dbraw/zinc/38/42/82/1314384282.db2.gz BAGIEZYREOUMLT-HOCLYGCPSA-N 2 0 326.444 2.802 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278382996 1314384520 /nfs/dbraw/zinc/38/45/20/1314384520.db2.gz BAGIEZYREOUMLT-GOEBONIOSA-N 2 0 326.444 2.802 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001491180602 1311169374 /nfs/dbraw/zinc/16/93/74/1311169374.db2.gz UDOJTQQQXJGFQA-QUCCMNQESA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001276840597 1311187460 /nfs/dbraw/zinc/18/74/60/1311187460.db2.gz QMVWIBJUZQKOEX-OKZBNKHCSA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001283725028 1319999560 /nfs/dbraw/zinc/99/95/60/1319999560.db2.gz WXKKOORNILOMMB-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001284737668 1320501433 /nfs/dbraw/zinc/50/14/33/1320501433.db2.gz MLONINNLMSGEJT-HUUCEWRRSA-N 2 0 349.441 2.663 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001277275279 1311905957 /nfs/dbraw/zinc/90/59/57/1311905957.db2.gz PKHGFIAXCOVNBW-IBGZPJMESA-N 2 0 347.547 2.855 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001277279885 1311915201 /nfs/dbraw/zinc/91/52/01/1311915201.db2.gz KEPNOLCKTCAULR-MJGOQNOKSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@]1(C)CCCCO1 ZINC000902740470 1312067076 /nfs/dbraw/zinc/06/70/76/1312067076.db2.gz VCCKVHVSIRLNAY-WOJBJXKFSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@]1(C)CCCCO1 ZINC000902740467 1312067264 /nfs/dbraw/zinc/06/72/64/1312067264.db2.gz VCCKVHVSIRLNAY-PMACEKPBSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)[C@]1(C)CCCCO1 ZINC000902746601 1312072494 /nfs/dbraw/zinc/07/24/94/1312072494.db2.gz KRHFFVLMCJECPB-AABGKKOBSA-N 2 0 337.552 2.896 10 30 EFEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001277393722 1312106011 /nfs/dbraw/zinc/10/60/11/1312106011.db2.gz PGIMAKVVFQZMIJ-HXUWFJFHSA-N 2 0 345.531 2.586 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001277441088 1312175074 /nfs/dbraw/zinc/17/50/74/1312175074.db2.gz KAHWBQYRLUOZJJ-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001277522425 1312504425 /nfs/dbraw/zinc/50/44/25/1312504425.db2.gz CJEMCYGZTQPMEU-UYAOXDASSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001277524246 1312510663 /nfs/dbraw/zinc/51/06/63/1312510663.db2.gz JPAYYUFFYLWWIN-HXUWFJFHSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001277537359 1312527260 /nfs/dbraw/zinc/52/72/60/1312527260.db2.gz BCTLKJPXUSLARW-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001278462188 1314672075 /nfs/dbraw/zinc/67/20/75/1314672075.db2.gz ZKIMZMXMDURYPH-ABSDTBQOSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001278488877 1314802121 /nfs/dbraw/zinc/80/21/21/1314802121.db2.gz YSEXNPYEQLOOEP-IPMKNSEASA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001278566261 1315206804 /nfs/dbraw/zinc/20/68/04/1315206804.db2.gz VVYZPHMPVOJNJD-GOEBONIOSA-N 2 0 335.517 2.874 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC(CC)CC)C2)CC1 ZINC001278582893 1315226733 /nfs/dbraw/zinc/22/67/33/1315226733.db2.gz RGZDJZUDJZFZBE-OAQYLSRUSA-N 2 0 347.547 2.596 10 30 EFEERP C=C(C)CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278742442 1315642850 /nfs/dbraw/zinc/64/28/50/1315642850.db2.gz ZCOSNAJYUHEZML-HNNXBMFYSA-N 2 0 343.462 2.510 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001278962639 1315989187 /nfs/dbraw/zinc/98/91/87/1315989187.db2.gz SCEYTTIGCYERPC-SJLPKXTDSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001318575957 1328642754 /nfs/dbraw/zinc/64/27/54/1328642754.db2.gz LGDBFINIWZTXAD-ZCNNSNEGSA-N 2 0 343.515 2.782 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CCC2CCCCC2)CC1 ZINC001318605842 1328650300 /nfs/dbraw/zinc/65/03/00/1328650300.db2.gz KCCAKWCAKABSHL-FQEVSTJZSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263958376 1316576152 /nfs/dbraw/zinc/57/61/52/1316576152.db2.gz MVHLZGJPJQOFPO-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001264099536 1316589482 /nfs/dbraw/zinc/58/94/82/1316589482.db2.gz GERWAJGIFCDSNB-AQNXPRMDSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001264187022 1316598024 /nfs/dbraw/zinc/59/80/24/1316598024.db2.gz BRBPIIDESLPKHB-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001264474731 1316618763 /nfs/dbraw/zinc/61/87/63/1316618763.db2.gz HXKKBBFUPRCKPZ-NSHGMRRFSA-N 2 0 345.531 2.681 10 30 EFEERP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496981 1316620987 /nfs/dbraw/zinc/62/09/87/1316620987.db2.gz IIFFXHOMWNETHJ-RTBURBONSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753779 1316668793 /nfs/dbraw/zinc/66/87/93/1316668793.db2.gz OBCVCAMUCSBMOO-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001264753409 1316668920 /nfs/dbraw/zinc/66/89/20/1316668920.db2.gz HMTKFFBQLIQXAF-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001281087853 1316677126 /nfs/dbraw/zinc/67/71/26/1316677126.db2.gz NWGKLENZAQOQOE-LJQANCHMSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001265094739 1316719414 /nfs/dbraw/zinc/71/94/14/1316719414.db2.gz JCLBDSYSPCDLTJ-QUCCMNQESA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001265199205 1316750228 /nfs/dbraw/zinc/75/02/28/1316750228.db2.gz QVTXCJPTGGCITH-OALUTQOASA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265290337 1316773613 /nfs/dbraw/zinc/77/36/13/1316773613.db2.gz NHNVWHYJMIKMOG-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001265394655 1316797790 /nfs/dbraw/zinc/79/77/90/1316797790.db2.gz GGGAMLLWUYAVJB-FQEVSTJZSA-N 2 0 343.515 2.517 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001265440390 1316806248 /nfs/dbraw/zinc/80/62/48/1316806248.db2.gz POZVXXXJDARAFU-SFHVURJKSA-N 2 0 329.488 2.561 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265478815 1316811626 /nfs/dbraw/zinc/81/16/26/1316811626.db2.gz PYCZFBXBHSRWJO-BZSNNMDCSA-N 2 0 333.520 2.844 10 30 EFEERP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001265523844 1316819959 /nfs/dbraw/zinc/81/99/59/1316819959.db2.gz QGVCAGPUBZWHGU-PMACEKPBSA-N 2 0 347.547 2.835 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705929 1316863345 /nfs/dbraw/zinc/86/33/45/1316863345.db2.gz ORMGBMPSEDMJPR-RBUKOAKNSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001266000371 1316945605 /nfs/dbraw/zinc/94/56/05/1316945605.db2.gz AYZBWNQIXGOLNS-KXBFYZLASA-N 2 0 338.455 2.639 10 30 EFEERP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001318687428 1328669770 /nfs/dbraw/zinc/66/97/70/1328669770.db2.gz WWFOCBZJSZWANO-LAUBAEHRSA-N 2 0 345.531 2.539 10 30 EFEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266098359 1317030971 /nfs/dbraw/zinc/03/09/71/1317030971.db2.gz UACZZVZVIMOOKD-UHFFFAOYSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(C)C[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001266145601 1317098106 /nfs/dbraw/zinc/09/81/06/1317098106.db2.gz YHGWEYIVQZGCGZ-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C=C(C)CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001318728983 1328679186 /nfs/dbraw/zinc/67/91/86/1328679186.db2.gz ORVDJXLKOPLNKM-FQEVSTJZSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001279229558 1317213680 /nfs/dbraw/zinc/21/36/80/1317213680.db2.gz KJPASHWKFJINRI-BCDXTJNWSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001279281743 1317224749 /nfs/dbraw/zinc/22/47/49/1317224749.db2.gz NUWOCFPHMJNDJB-CADBVGFASA-N 2 0 335.536 2.805 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001279282189 1317225172 /nfs/dbraw/zinc/22/51/72/1317225172.db2.gz WFPCSSWCTVHSBW-WGSAOQKQSA-N 2 0 335.536 2.807 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001279288498 1317226304 /nfs/dbraw/zinc/22/63/04/1317226304.db2.gz HIKDMRHPYGXYJM-NCXUSEDFSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001279368182 1317246907 /nfs/dbraw/zinc/24/69/07/1317246907.db2.gz IZFBMOIKYFDBEL-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH+]1CCC(C2(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001279368575 1317247423 /nfs/dbraw/zinc/24/74/23/1317247423.db2.gz XJXFPAKPFXRVCZ-CALCHBBNSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001279415996 1317260302 /nfs/dbraw/zinc/26/03/02/1317260302.db2.gz HPMJAMZWXSNEHK-HSALFYBXSA-N 2 0 347.547 2.853 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001279624646 1317336398 /nfs/dbraw/zinc/33/63/98/1317336398.db2.gz OLYQKCZRJQFXPT-RBUKOAKNSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001318761830 1328692596 /nfs/dbraw/zinc/69/25/96/1328692596.db2.gz WQHMSTPUPJJYDZ-FXAWDEMLSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001280252880 1317487974 /nfs/dbraw/zinc/48/79/74/1317487974.db2.gz YFTFVQXDNREIDV-MRXNPFEDSA-N 2 0 341.927 2.688 10 30 EFEERP 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2.883 10 30 EFEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001318976336 1328755032 /nfs/dbraw/zinc/75/50/32/1328755032.db2.gz MBEIYNLIEFWBBV-MKXGPGLRSA-N 2 0 333.520 2.987 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001319000263 1328761259 /nfs/dbraw/zinc/76/12/59/1328761259.db2.gz LNVDMLAXTHNNHD-GOSISDBHSA-N 2 0 341.499 2.680 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCCCC)CC2)CC1 ZINC001281530446 1318415469 /nfs/dbraw/zinc/41/54/69/1318415469.db2.gz JEKCFPWLQUBDIF-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)CC2)CC1 ZINC001281795814 1318587310 /nfs/dbraw/zinc/58/73/10/1318587310.db2.gz DYAAETDODPSWHT-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001281939573 1318630639 /nfs/dbraw/zinc/63/06/39/1318630639.db2.gz IZLDWRYKOKLPOR-PMACEKPBSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001281942296 1318634486 /nfs/dbraw/zinc/63/44/86/1318634486.db2.gz PKQSRAJPJZMGCC-SFHVURJKSA-N 2 0 333.520 2.586 10 30 EFEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674492 1319064507 /nfs/dbraw/zinc/06/45/07/1319064507.db2.gz FHKYGWGEHWGSEY-APWZRJJASA-N 2 0 339.499 2.746 10 30 EFEERP CCCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001282713846 1319088960 /nfs/dbraw/zinc/08/89/60/1319088960.db2.gz AVKHSIXAFACIKL-LPHOPBHVSA-N 2 0 335.536 2.735 10 30 EFEERP C=CCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001282813624 1319142692 /nfs/dbraw/zinc/14/26/92/1319142692.db2.gz YSUQYMDPPUEOSC-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001282959929 1319218440 /nfs/dbraw/zinc/21/84/40/1319218440.db2.gz XDXFOLZMVDTLJB-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001282959926 1319219191 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GHYVYSIGSAMKIV-SFHVURJKSA-N 2 0 347.547 2.644 10 30 EFEERP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001283530081 1319793468 /nfs/dbraw/zinc/79/34/68/1319793468.db2.gz KFYHBGVZZQRYCE-PMACEKPBSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001284101667 1320195771 /nfs/dbraw/zinc/19/57/71/1320195771.db2.gz KKIRBIOYNXQPEZ-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001284179311 1320253656 /nfs/dbraw/zinc/25/36/56/1320253656.db2.gz LWPSPGOEABKWGH-GDBMZVCRSA-N 2 0 335.517 2.874 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C(F)(F)F ZINC001284371429 1320343590 /nfs/dbraw/zinc/34/35/90/1320343590.db2.gz ISNUISVCYXKDOO-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284620065 1320443123 /nfs/dbraw/zinc/44/31/23/1320443123.db2.gz WZRNDGFGPGNLMJ-ROUUACIJSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001284702513 1320483655 /nfs/dbraw/zinc/48/36/55/1320483655.db2.gz PTKGNBXBHVLNNA-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C)CCN(Cc2ccccc2)CC1 ZINC001284731008 1320496629 /nfs/dbraw/zinc/49/66/29/1320496629.db2.gz BLGYNHRGRVWACH-MJGOQNOKSA-N 2 0 341.499 2.569 10 30 EFEERP C=CC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001284853513 1320562602 /nfs/dbraw/zinc/56/26/02/1320562602.db2.gz RYQIDNTXJFJBRP-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633686 1328934031 /nfs/dbraw/zinc/93/40/31/1328934031.db2.gz KAROUTQYYJENEE-UYAOXDASSA-N 2 0 347.547 2.927 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001319651768 1328938979 /nfs/dbraw/zinc/93/89/79/1328938979.db2.gz QRGYGMOOAOUMRR-OALUTQOASA-N 2 0 333.520 2.537 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001319651770 1328939255 /nfs/dbraw/zinc/93/92/55/1328939255.db2.gz QRGYGMOOAOUMRR-RTBURBONSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCCC1 ZINC001319669189 1328945534 /nfs/dbraw/zinc/94/55/34/1328945534.db2.gz OZRAXQJRSTYXFQ-PMACEKPBSA-N 2 0 347.547 2.785 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001319881975 1329027330 /nfs/dbraw/zinc/02/73/30/1329027330.db2.gz YAQVQCWNJREOOK-RBUKOAKNSA-N 2 0 333.520 2.750 10 30 EFEERP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001319884664 1329028102 /nfs/dbraw/zinc/02/81/02/1329028102.db2.gz DXIQBKHWZCHUST-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316660696 1323021691 /nfs/dbraw/zinc/02/16/91/1323021691.db2.gz VBIAIQKSYXRKCG-FCEWJHQRSA-N 2 0 339.499 2.650 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001491900577 1324011649 /nfs/dbraw/zinc/01/16/49/1324011649.db2.gz RLDTZAOAJWXVIJ-PMACEKPBSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001491900580 1324012087 /nfs/dbraw/zinc/01/20/87/1324012087.db2.gz RLDTZAOAJWXVIJ-WOJBJXKFSA-N 2 0 341.499 2.638 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492085202 1324245447 /nfs/dbraw/zinc/24/54/47/1324245447.db2.gz MNBMXEBJTORPBZ-MAUKXSAKSA-N 2 0 327.488 2.650 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001492171883 1324309357 /nfs/dbraw/zinc/30/93/57/1324309357.db2.gz SFRQBEREJUDEER-RBUKOAKNSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001492178543 1324318980 /nfs/dbraw/zinc/31/89/80/1324318980.db2.gz PELWTOCQVCFGFT-UXHICEINSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001317376222 1324668926 /nfs/dbraw/zinc/66/89/26/1324668926.db2.gz 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KWYRFSYGRZEBTJ-IBGZPJMESA-N 2 0 335.536 2.689 10 30 EFEERP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001324558175 1329639617 /nfs/dbraw/zinc/63/96/17/1329639617.db2.gz YRGHVEIGYYOQAO-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001324958163 1329662913 /nfs/dbraw/zinc/66/29/13/1329662913.db2.gz PNWBDSSZCUGNRG-UYAOXDASSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001324958160 1329663064 /nfs/dbraw/zinc/66/30/64/1329663064.db2.gz PNWBDSSZCUGNRG-AZUAARDMSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001325525803 1329694326 /nfs/dbraw/zinc/69/43/26/1329694326.db2.gz KAMOSJOYSCIYBU-HOCLYGCPSA-N 2 0 335.517 2.684 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001325599572 1329700082 /nfs/dbraw/zinc/70/00/82/1329700082.db2.gz UHLVASNLNJSCSO-OALUTQOASA-N 2 0 335.536 2.903 10 30 EFEERP 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C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001325941915 1329726366 /nfs/dbraw/zinc/72/63/66/1329726366.db2.gz BETFOLNKVPDRBJ-OKZBNKHCSA-N 2 0 339.499 2.555 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001325954428 1329727790 /nfs/dbraw/zinc/72/77/90/1329727790.db2.gz BTWZZFPKWRMHBC-RBUKOAKNSA-N 2 0 335.536 2.975 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001326436565 1329756475 /nfs/dbraw/zinc/75/64/75/1329756475.db2.gz DWOSJPHWSOHSKS-QGZVFWFLSA-N 2 0 329.488 2.766 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](c2ccccc2)N(C)C)cc1 ZINC001326490364 1329760299 /nfs/dbraw/zinc/76/02/99/1329760299.db2.gz PYEIGICWURSPAG-UWJYYQICSA-N 2 0 349.478 2.890 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300054 1330454669 /nfs/dbraw/zinc/45/46/69/1330454669.db2.gz SMSBEWPIYXMDCF-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001327530848 1330495966 /nfs/dbraw/zinc/49/59/66/1330495966.db2.gz QADTXQDJASJXEN-RXVVDRJESA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001327539660 1330496574 /nfs/dbraw/zinc/49/65/74/1330496574.db2.gz BXKJVDZCHXZRCU-AZUAARDMSA-N 2 0 345.531 2.751 10 30 EFEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](CC)CC)cc2C1 ZINC001327695914 1330509408 /nfs/dbraw/zinc/50/94/08/1330509408.db2.gz LAPWGUVATTZVCM-HXUWFJFHSA-N 2 0 341.499 2.762 10 30 EFEERP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001327694849 1330509499 /nfs/dbraw/zinc/50/94/99/1330509499.db2.gz DRFNOJKDRYBIRL-UHFFFAOYSA-N 2 0 341.499 2.926 10 30 EFEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](CC)CC)cc2C1 ZINC001327695913 1330509620 /nfs/dbraw/zinc/50/96/20/1330509620.db2.gz LAPWGUVATTZVCM-FQEVSTJZSA-N 2 0 341.499 2.762 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001327994819 1330539387 /nfs/dbraw/zinc/53/93/87/1330539387.db2.gz CKGLWGIFAICDRQ-GOSISDBHSA-N 2 0 333.520 2.940 10 30 EFEERP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C(C)(C)C1 ZINC001328099813 1330555813 /nfs/dbraw/zinc/55/58/13/1330555813.db2.gz ZEGSZCSFSHVWSU-GOSISDBHSA-N 2 0 335.536 2.739 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001328589121 1330606152 /nfs/dbraw/zinc/60/61/52/1330606152.db2.gz TWRPWTXFSBQQPY-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001328588740 1330606240 /nfs/dbraw/zinc/60/62/40/1330606240.db2.gz YXLILYNTCRMWNR-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203471 1330680720 /nfs/dbraw/zinc/68/07/20/1330680720.db2.gz SXPKKQXDVCADOV-HOTGVXAUSA-N 2 0 349.906 2.515 10 30 EFEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001329761613 1330734391 /nfs/dbraw/zinc/73/43/91/1330734391.db2.gz NAHDWYNJSGCVOY-MOPGFXCFSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329923459 1330752167 /nfs/dbraw/zinc/75/21/67/1330752167.db2.gz LKNHKVWIEZPSDT-MOPGFXCFSA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001331031041 1330785681 /nfs/dbraw/zinc/78/56/81/1330785681.db2.gz RLLGXCRTHRUAGN-UHFFFAOYSA-N 2 0 333.520 2.586 10 30 EFEERP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001331039339 1330787456 /nfs/dbraw/zinc/78/74/56/1330787456.db2.gz PWCZEPSKLPMVPX-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC001331944438 1330895018 /nfs/dbraw/zinc/89/50/18/1330895018.db2.gz QDOKZOCLJRLMKN-NVXWUHKLSA-N 2 0 333.476 2.890 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332009237 1330904167 /nfs/dbraw/zinc/90/41/67/1330904167.db2.gz UJIFKWAGZXNUTK-ZBFHGGJFSA-N 2 0 326.444 2.802 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001332151103 1330929141 /nfs/dbraw/zinc/92/91/41/1330929141.db2.gz YGZKHFCVIUGITK-FGTMMUONSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC001332221386 1330944052 /nfs/dbraw/zinc/94/40/52/1330944052.db2.gz MSHCZJHDNYMVHP-HXUWFJFHSA-N 2 0 343.515 2.612 10 30 EFEERP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001333016099 1331065575 /nfs/dbraw/zinc/06/55/75/1331065575.db2.gz VWKGVHVEEDWQTF-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CCCC)CC2)CC1 ZINC001479996311 1333018412 /nfs/dbraw/zinc/01/84/12/1333018412.db2.gz CWYGBPCYUURCAG-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877668 1338152343 /nfs/dbraw/zinc/15/23/43/1338152343.db2.gz YYMZCTVCLQPKGR-DLBZAZTESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001370826560 1340222001 /nfs/dbraw/zinc/22/20/01/1340222001.db2.gz HNTSBLFIJRHPCU-IRXDYDNUSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001370957147 1340305404 /nfs/dbraw/zinc/30/54/04/1340305404.db2.gz NKCJQQYEKBJWIR-SJORKVTESA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001372990637 1340866014 /nfs/dbraw/zinc/86/60/14/1340866014.db2.gz GJXAYDGIHOOKDY-RDJZCZTQSA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001373837320 1341168761 /nfs/dbraw/zinc/16/87/61/1341168761.db2.gz SQDQTLWEACDNCL-JKSUJKDBSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001374928319 1342246064 /nfs/dbraw/zinc/24/60/64/1342246064.db2.gz NGHTZWLLRBNDGH-HOCLYGCPSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001375227146 1342530310 /nfs/dbraw/zinc/53/03/10/1342530310.db2.gz ARZLOXOCXRHLRK-DLBZAZTESA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001375276123 1342582488 /nfs/dbraw/zinc/58/24/88/1342582488.db2.gz BWGYFKCRHHJDGF-IAGOWNOFSA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001375766271 1342988538 /nfs/dbraw/zinc/98/85/38/1342988538.db2.gz DLHMJCOECJJEFU-CVEARBPZSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001377612708 1344220241 /nfs/dbraw/zinc/22/02/41/1344220241.db2.gz FPZCKIDWJRUWQV-SJORKVTESA-N 2 0 341.927 2.974 10 30 EFEERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001377860495 1344522439 /nfs/dbraw/zinc/52/24/39/1344522439.db2.gz VMSBPKWBSLVGQF-HOTGVXAUSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001377962859 1344619247 /nfs/dbraw/zinc/61/92/47/1344619247.db2.gz GKBWQPDQMLPIAS-GJZGRUSLSA-N 2 0 329.916 2.543 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001379135255 1345613302 /nfs/dbraw/zinc/61/33/02/1345613302.db2.gz VSZCUHCNJGTBPY-CVEARBPZSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001380443631 1347675175 /nfs/dbraw/zinc/67/51/75/1347675175.db2.gz QUEXJGQRMXDZAG-FUHWJXTLSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001380787488 1347878526 /nfs/dbraw/zinc/87/85/26/1347878526.db2.gz CMABVPYPXVGTMO-QAETUUGQSA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001381129783 1348097073 /nfs/dbraw/zinc/09/70/73/1348097073.db2.gz WCXRKOGUOCIVDH-INIZCTEOSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC(C)(C)C1 ZINC001388836704 1353075696 /nfs/dbraw/zinc/07/56/96/1353075696.db2.gz UCPHBYDIKYPPRT-OAHLLOKOSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001394710073 1358037593 /nfs/dbraw/zinc/03/75/93/1358037593.db2.gz DIHBIIQXEYPPQB-MRXNPFEDSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001394363851 1357737552 /nfs/dbraw/zinc/73/75/52/1357737552.db2.gz AOZHOSHFRKEQIJ-MQMHXKEQSA-N 2 0 341.908 2.660 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001392159011 1355813533 /nfs/dbraw/zinc/81/35/33/1355813533.db2.gz DFMLSXXHYJUVSF-SJORKVTESA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001402105308 1363413023 /nfs/dbraw/zinc/41/30/23/1363413023.db2.gz IXTNPJDRBDHYSL-GOSISDBHSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001437048702 1387388075 /nfs/dbraw/zinc/38/80/75/1387388075.db2.gz JEBNCHLDNLJIPD-IRXDYDNUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001441306636 1391244527 /nfs/dbraw/zinc/24/45/27/1391244527.db2.gz QAWUIMWEJUEUDZ-HOTGVXAUSA-N 2 0 347.906 2.589 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001400243332 1361878253 /nfs/dbraw/zinc/87/82/53/1361878253.db2.gz UUHGTOYVVLPLQE-IAGOWNOFSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001400243324 1361878389 /nfs/dbraw/zinc/87/83/89/1361878389.db2.gz UUHGTOYVVLPLQE-DLBZAZTESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001402681977 1363932376 /nfs/dbraw/zinc/93/23/76/1363932376.db2.gz OGQCVCKPMXIJJG-SJORKVTESA-N 2 0 341.927 2.641 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001402769251 1364018429 /nfs/dbraw/zinc/01/84/29/1364018429.db2.gz LNWMZDWZWJCWJR-CVEARBPZSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001402784888 1364032565 /nfs/dbraw/zinc/03/25/65/1364032565.db2.gz XMDWYZYPWJHFOQ-HUUCEWRRSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001403594823 1364798729 /nfs/dbraw/zinc/79/87/29/1364798729.db2.gz JVMVGFHDAKHWRG-RDJZCZTQSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001405684541 1366336519 /nfs/dbraw/zinc/33/65/19/1366336519.db2.gz KNOGRJRHOBXVKC-CYBMUJFWSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001407555453 1368981218 /nfs/dbraw/zinc/98/12/18/1368981218.db2.gz ZPNURMWVVATUGO-KBXCAEBGSA-N 2 0 349.906 2.798 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001408006850 1369521405 /nfs/dbraw/zinc/52/14/05/1369521405.db2.gz VXTHBWWXSONGBX-HZPDHXFCSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001408292703 1369785783 /nfs/dbraw/zinc/78/57/83/1369785783.db2.gz LECBLCBLGRMWOJ-CVEARBPZSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001419413664 1375241117 /nfs/dbraw/zinc/24/11/17/1375241117.db2.gz GMURVNKODQCYEI-IYBDPMFKSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001419578854 1375475476 /nfs/dbraw/zinc/47/54/76/1375475476.db2.gz KDVHQKXOCYUJGZ-IAGOWNOFSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119490 1379639825 /nfs/dbraw/zinc/63/98/25/1379639825.db2.gz KRIMAXREWFJDAB-CVEARBPZSA-N 2 0 329.916 2.591 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001422353313 1379962401 /nfs/dbraw/zinc/96/24/01/1379962401.db2.gz MLFHMNXYTUFBGX-NWDGAFQWSA-N 2 0 329.897 2.659 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001422393577 1380030092 /nfs/dbraw/zinc/03/00/92/1380030092.db2.gz UHJAGVGLFCCQJD-LSDHHAIUSA-N 2 0 337.895 2.640 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001422393574 1380030434 /nfs/dbraw/zinc/03/04/34/1380030434.db2.gz UHJAGVGLFCCQJD-GJZGRUSLSA-N 2 0 337.895 2.640 10 30 EFEERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C)[NH+](C)C ZINC001423597141 1382140756 /nfs/dbraw/zinc/14/07/56/1382140756.db2.gz BQLWFFNQCTVWMR-MSOLQXFVSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001438828092 1388845115 /nfs/dbraw/zinc/84/51/15/1388845115.db2.gz LVCCOBGEYAGLBY-PBHICJAKSA-N 2 0 347.906 2.682 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001506785018 1406280473 /nfs/dbraw/zinc/28/04/73/1406280473.db2.gz KVJSYOFHSUHBJG-CADBVGFASA-N 2 0 347.547 2.900 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001506829605 1406308049 /nfs/dbraw/zinc/30/80/49/1406308049.db2.gz MLSQWNCKZFQBIX-HAGHYFMRSA-N 2 0 347.547 2.757 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001506866314 1406374871 /nfs/dbraw/zinc/37/48/71/1406374871.db2.gz UOIVXYYGODOOLR-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001440515454 1389716770 /nfs/dbraw/zinc/71/67/70/1389716770.db2.gz GCWACDFEJFOMLL-MRXNPFEDSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001448217910 1392025609 /nfs/dbraw/zinc/02/56/09/1392025609.db2.gz PAPZIGHZOOQZSN-HOCLYGCPSA-N 2 0 329.916 2.543 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001506979239 1406540111 /nfs/dbraw/zinc/54/01/11/1406540111.db2.gz CTQWDIQUPYWTLZ-RTBURBONSA-N 2 0 329.488 2.884 10 30 EFEERP C=CC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001460362715 1396029819 /nfs/dbraw/zinc/02/98/19/1396029819.db2.gz OIGPUMCEUQOHCY-HKUYNNGSSA-N 2 0 329.488 2.694 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001507289118 1406852738 /nfs/dbraw/zinc/85/27/38/1406852738.db2.gz QIUBAHPDYFPHKK-YLJYHZDGSA-N 2 0 343.515 2.950 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473877668 1397342913 /nfs/dbraw/zinc/34/29/13/1397342913.db2.gz WWCMBQLDTDRDRU-UHFFFAOYSA-N 2 0 341.499 2.988 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001479241983 1397634694 /nfs/dbraw/zinc/63/46/94/1397634694.db2.gz TZEJLCKMJGWTOJ-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001507336945 1406904410 /nfs/dbraw/zinc/90/44/10/1406904410.db2.gz BFTSWNDVLVVEHA-HZPDHXFCSA-N 2 0 333.476 2.890 10 30 EFEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001479338228 1397693369 /nfs/dbraw/zinc/69/33/69/1397693369.db2.gz TUGXGXZQTZDXPF-UHOSZYNNSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001479479649 1397733641 /nfs/dbraw/zinc/73/36/41/1397733641.db2.gz PLZDNMXYPFGWJP-YESZJQIVSA-N 2 0 341.927 2.878 10 30 EFEERP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001479501591 1397739080 /nfs/dbraw/zinc/73/90/80/1397739080.db2.gz KYEXFMDLTOZAAA-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479833808 1397928821 /nfs/dbraw/zinc/92/88/21/1397928821.db2.gz LMWAJAQXLJXQKV-LPHOPBHVSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001479887804 1398002327 /nfs/dbraw/zinc/00/23/27/1398002327.db2.gz RAKMTNSOJCTIAP-VQIMIIECSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001479892711 1398006260 /nfs/dbraw/zinc/00/62/60/1398006260.db2.gz BKYFHWGDBCQLRF-QGZVFWFLSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480078589 1398112275 /nfs/dbraw/zinc/11/22/75/1398112275.db2.gz VHNKNXODOSCENJ-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480078394 1398112417 /nfs/dbraw/zinc/11/24/17/1398112417.db2.gz KVSHVIMQNBKXIL-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480078392 1398112904 /nfs/dbraw/zinc/11/29/04/1398112904.db2.gz KVSHVIMQNBKXIL-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001480187653 1398156454 /nfs/dbraw/zinc/15/64/54/1398156454.db2.gz DDONFLULGCDAEQ-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001480365066 1398179040 /nfs/dbraw/zinc/17/90/40/1398179040.db2.gz NBZWQHVSGUMGNY-UXHICEINSA-N 2 0 341.499 2.673 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001480367504 1398181425 /nfs/dbraw/zinc/18/14/25/1398181425.db2.gz KXFNNXDYIVENJY-CVEARBPZSA-N 2 0 327.900 2.584 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001507354549 1406940524 /nfs/dbraw/zinc/94/05/24/1406940524.db2.gz CCGXYICBQCEXQA-BHIYHBOVSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480660867 1398268616 /nfs/dbraw/zinc/26/86/16/1398268616.db2.gz JLEVCUWIZWFOQJ-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480665956 1398272193 /nfs/dbraw/zinc/27/21/93/1398272193.db2.gz QKZVQPFCQKOTBI-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001507356460 1406944849 /nfs/dbraw/zinc/94/48/49/1406944849.db2.gz PNDCXYCOFUTZCF-ICSRJNTNSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001507361166 1406953466 /nfs/dbraw/zinc/95/34/66/1406953466.db2.gz AUWPGNAAQQXAKG-RCCFBDPRSA-N 2 0 335.536 2.757 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001493880058 1398948484 /nfs/dbraw/zinc/94/84/84/1398948484.db2.gz ZEKZBECTKKCYPA-LJQANCHMSA-N 2 0 335.536 2.737 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494070424 1399109170 /nfs/dbraw/zinc/10/91/70/1399109170.db2.gz RJXXPDQTBDOJHE-LJQANCHMSA-N 2 0 347.547 2.903 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001494214191 1399218374 /nfs/dbraw/zinc/21/83/74/1399218374.db2.gz HDLOWKHBTYBQJM-UHFFFAOYSA-N 2 0 329.488 2.718 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001494672420 1399425241 /nfs/dbraw/zinc/42/52/41/1399425241.db2.gz HCKFIECUZBFPOV-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001494679772 1399427801 /nfs/dbraw/zinc/42/78/01/1399427801.db2.gz MMEUAEPOWAAUOF-WDSOQIARSA-N 2 0 333.520 2.747 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494918880 1399555758 /nfs/dbraw/zinc/55/57/58/1399555758.db2.gz MXEBCRAUCVYZAJ-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426787 1407041588 /nfs/dbraw/zinc/04/15/88/1407041588.db2.gz HDXXVQUGIVXGCN-APWZRJJASA-N 2 0 329.488 2.812 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001495358865 1399902334 /nfs/dbraw/zinc/90/23/34/1399902334.db2.gz XPKPUQXICCMWGW-MRXNPFEDSA-N 2 0 347.528 2.665 10 30 EFEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001495381446 1399928191 /nfs/dbraw/zinc/92/81/91/1399928191.db2.gz XAMJPGOEMYXCRG-QUCCMNQESA-N 2 0 341.499 2.531 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CCCCC)C2)CC1 ZINC001495393010 1399938253 /nfs/dbraw/zinc/93/82/53/1399938253.db2.gz JZLJMWMLYALQCL-IBGZPJMESA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001495459011 1399997866 /nfs/dbraw/zinc/99/78/66/1399997866.db2.gz YSKHYKUIJRQEBO-ZHALLVOQSA-N 2 0 333.520 2.987 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC/C=C/CC)C(C)(C)C2)CC1 ZINC001507454538 1407073418 /nfs/dbraw/zinc/07/34/18/1407073418.db2.gz XMPHSCPDYCMXHA-IHHMQQGQSA-N 2 0 345.531 2.515 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001495489071 1400022842 /nfs/dbraw/zinc/02/28/42/1400022842.db2.gz HPMJUHGLBKDTRQ-UHFFFAOYSA-N 2 0 334.423 2.848 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001495488207 1400023042 /nfs/dbraw/zinc/02/30/42/1400023042.db2.gz JYLWEGWYZVOPCN-FQEVSTJZSA-N 2 0 341.499 2.985 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001495491726 1400025346 /nfs/dbraw/zinc/02/53/46/1400025346.db2.gz KOSHBRWBTADJBP-LJQANCHMSA-N 2 0 329.488 2.700 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC001495508430 1400040955 /nfs/dbraw/zinc/04/09/55/1400040955.db2.gz IFSQEYUGEMDTLL-UHFFFAOYSA-N 2 0 349.478 2.791 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001495519566 1400049015 /nfs/dbraw/zinc/04/90/15/1400049015.db2.gz DNXTWERTZKAXTM-LJQANCHMSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](CCC)CCC)CC2 ZINC001495986791 1400399118 /nfs/dbraw/zinc/39/91/18/1400399118.db2.gz NFKXHJNIQOBBTN-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496173121 1400517425 /nfs/dbraw/zinc/51/74/25/1400517425.db2.gz YIEXPISRGGQVSO-NXHRZFHOSA-N 2 0 349.906 2.521 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001496316082 1400632332 /nfs/dbraw/zinc/63/23/32/1400632332.db2.gz XWXNPRPUSOKTAD-IPMKNSEASA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(=C)C)C2CCCCC2)CC1 ZINC001496328105 1400643147 /nfs/dbraw/zinc/64/31/47/1400643147.db2.gz WWESIVREGMOEOW-HXUWFJFHSA-N 2 0 345.531 2.562 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C/CC)[C@@H](C)C2)CC1 ZINC001496369777 1400679322 /nfs/dbraw/zinc/67/93/22/1400679322.db2.gz LJLMZPJHRKTYFD-GGVAOPBYSA-N 2 0 345.531 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C/CC)[C@H](C)C2)CC1 ZINC001496369779 1400679638 /nfs/dbraw/zinc/67/96/38/1400679638.db2.gz LJLMZPJHRKTYFD-PVTFFILZSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496450719 1400740174 /nfs/dbraw/zinc/74/01/74/1400740174.db2.gz OPUCHYHUHAHYHM-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496453207 1400742374 /nfs/dbraw/zinc/74/23/74/1400742374.db2.gz XXHQUGRDUDUHGD-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001496500468 1400775348 /nfs/dbraw/zinc/77/53/48/1400775348.db2.gz AICWXOUEXHVJGK-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001496503771 1400779379 /nfs/dbraw/zinc/77/93/79/1400779379.db2.gz AGXISXNFKXHSFA-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001496504715 1400780700 /nfs/dbraw/zinc/78/07/00/1400780700.db2.gz IXOHKQFEUFYRBW-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573191 1400837579 /nfs/dbraw/zinc/83/75/79/1400837579.db2.gz AXUVILDSQXEHEB-HOTGVXAUSA-N 2 0 329.916 2.590 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001496597330 1400858570 /nfs/dbraw/zinc/85/85/70/1400858570.db2.gz KYSWVQXLCAFDOK-MOPGFXCFSA-N 2 0 333.520 2.537 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001496866804 1401062785 /nfs/dbraw/zinc/06/27/85/1401062785.db2.gz JAOXCWCQILQADB-RTBURBONSA-N 2 0 347.547 2.975 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001496899550 1401087372 /nfs/dbraw/zinc/08/73/72/1401087372.db2.gz SXEMYXBLFOUOEV-UYAOXDASSA-N 2 0 343.515 2.855 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001507939188 1407217409 /nfs/dbraw/zinc/21/74/09/1407217409.db2.gz NPAOTKXSFRUYIX-PKOBYXMFSA-N 2 0 347.547 2.785 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C(C)(C)C ZINC001507984509 1407233394 /nfs/dbraw/zinc/23/33/94/1407233394.db2.gz JXCWCFBXBAZOAQ-LJQANCHMSA-N 2 0 343.515 2.548 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001508003092 1407237663 /nfs/dbraw/zinc/23/76/63/1407237663.db2.gz GVAXZAUBZXSKQB-HZPDHXFCSA-N 2 0 343.943 2.981 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001499477506 1402632264 /nfs/dbraw/zinc/63/22/64/1402632264.db2.gz DOCLZHGFZQBQAJ-IEBWSBKVSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001508063582 1407274012 /nfs/dbraw/zinc/27/40/12/1407274012.db2.gz JZMSAYZJDRQZOT-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001499595966 1402706593 /nfs/dbraw/zinc/70/65/93/1402706593.db2.gz CJEMCYGZTQPMEU-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001499603037 1402710615 /nfs/dbraw/zinc/71/06/15/1402710615.db2.gz MMSNQEFZGBGAFF-NSHGMRRFSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001499610641 1402715640 /nfs/dbraw/zinc/71/56/40/1402715640.db2.gz QZFHHVSJWASFLR-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001499747287 1402768143 /nfs/dbraw/zinc/76/81/43/1402768143.db2.gz MAYCSLOUDCRAAS-KXBFYZLASA-N 2 0 339.499 2.696 10 30 EFEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001508072543 1407281792 /nfs/dbraw/zinc/28/17/92/1407281792.db2.gz DCKRPOYMXKSKQI-LPHOPBHVSA-N 2 0 333.520 2.511 10 30 EFEERP 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DWOLQTDBPYONKT-IAGOWNOFSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001508165489 1407325944 /nfs/dbraw/zinc/32/59/44/1407325944.db2.gz KATRASCVNZGYOT-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001501018645 1403407090 /nfs/dbraw/zinc/40/70/90/1403407090.db2.gz FHCADWAAHIMHAQ-RBUKOAKNSA-N 2 0 329.488 2.666 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001501022078 1403409909 /nfs/dbraw/zinc/40/99/09/1403409909.db2.gz MSZXOGQPNLDGAQ-RBUKOAKNSA-N 2 0 329.488 2.666 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001501399424 1403586963 /nfs/dbraw/zinc/58/69/63/1403586963.db2.gz HCUWPEQTTOHMAJ-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001501422354 1403599671 /nfs/dbraw/zinc/59/96/71/1403599671.db2.gz MPQIVTKKXFIPKG-YDZRNGNQSA-N 2 0 333.520 2.748 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001501663724 1403682290 /nfs/dbraw/zinc/68/22/90/1403682290.db2.gz ZBVIGCJVQLSWLO-UHFFFAOYSA-N 2 0 329.488 2.795 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001501676774 1403705944 /nfs/dbraw/zinc/70/59/44/1403705944.db2.gz PGDKWZQYSKRRLI-PXNSSMCTSA-N 2 0 341.499 2.851 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001501678914 1403709719 /nfs/dbraw/zinc/70/97/19/1403709719.db2.gz IECYCZJGFOBDEP-MRXNPFEDSA-N 2 0 329.488 2.565 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCc2ccc([C@@H](C)[NH2+]CCC)cc2)CC1 ZINC001501681425 1403714363 /nfs/dbraw/zinc/71/43/63/1403714363.db2.gz ITTKJYPVGWXEAT-QGZVFWFLSA-N 2 0 341.499 2.709 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001502000018 1403939897 /nfs/dbraw/zinc/93/98/97/1403939897.db2.gz QOISJLFYNVKJPE-LJQANCHMSA-N 2 0 339.499 2.794 10 30 EFEERP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001502246639 1404077680 /nfs/dbraw/zinc/07/76/80/1404077680.db2.gz YXPYOFYJICSAEW-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)CC1 ZINC001502401096 1404140831 /nfs/dbraw/zinc/14/08/31/1404140831.db2.gz HITNYPHKFSQULH-UHFFFAOYSA-N 2 0 335.536 2.548 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCC2CCCC2)CC1 ZINC001502401563 1404142660 /nfs/dbraw/zinc/14/26/60/1404142660.db2.gz OLVJBGAXSPIYCV-UHFFFAOYSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502747987 1404323149 /nfs/dbraw/zinc/32/31/49/1404323149.db2.gz LUTRDBUGYGKPTR-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCC)CC2)CC1 ZINC001503764549 1404508063 /nfs/dbraw/zinc/50/80/63/1404508063.db2.gz RZFXVQMFEAHNAE-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC/C=C\CC)CC1 ZINC001505411515 1404569309 /nfs/dbraw/zinc/56/93/09/1404569309.db2.gz LDSAQGLAILFALE-PRPIBZDOSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001505414596 1404573892 /nfs/dbraw/zinc/57/38/92/1404573892.db2.gz MJIIGTXLSHNOKQ-TZIWHRDSSA-N 2 0 341.499 2.809 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001505437709 1404608811 /nfs/dbraw/zinc/60/88/11/1404608811.db2.gz XLDFLUQCVYQCBE-OALUTQOASA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001505473160 1404708846 /nfs/dbraw/zinc/70/88/46/1404708846.db2.gz PYOKCHSVQPBTST-UXHICEINSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001505473161 1404709939 /nfs/dbraw/zinc/70/99/39/1404709939.db2.gz PYOKCHSVQPBTST-VQTJNVASSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001725628880 1425727316 /nfs/dbraw/zinc/72/73/16/1425727316.db2.gz LUGMAJZMRTTWOI-GUDVDZBRSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505637015 1404879259 /nfs/dbraw/zinc/87/92/59/1404879259.db2.gz GMGCHSSHTXZCNZ-UONOGXRCSA-N 2 0 329.916 2.875 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001506491028 1405843760 /nfs/dbraw/zinc/84/37/60/1405843760.db2.gz RRLZBOMMKZMDRB-RTBURBONSA-N 2 0 335.536 2.594 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001565942306 1415460071 /nfs/dbraw/zinc/46/00/71/1415460071.db2.gz XLVOPOCSRKDXJQ-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942364 1415460873 /nfs/dbraw/zinc/46/08/73/1415460873.db2.gz YELKKVSXRPBXLR-GOEBONIOSA-N 2 0 329.916 2.688 10 30 EFEERP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001565979345 1415468897 /nfs/dbraw/zinc/46/88/97/1415468897.db2.gz NWICNNONHSFODA-SJORKVTESA-N 2 0 345.487 2.585 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCC)CC1 ZINC001565987734 1415471660 /nfs/dbraw/zinc/47/16/60/1415471660.db2.gz BMSHYAMQALRBHL-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001565994391 1415473999 /nfs/dbraw/zinc/47/39/99/1415473999.db2.gz FYFGWAMWNBRVRG-NEWSRXKRSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001565994802 1415475212 /nfs/dbraw/zinc/47/52/12/1415475212.db2.gz KLPOLZDETNHKKG-BHIYHBOVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001566533258 1415621217 /nfs/dbraw/zinc/62/12/17/1415621217.db2.gz LNWJQCMSRAHIOZ-FXAWDEMLSA-N 2 0 343.515 2.950 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC001566746557 1415759061 /nfs/dbraw/zinc/75/90/61/1415759061.db2.gz KWSQGRKUWCMIOS-ROUUACIJSA-N 2 0 346.519 2.878 10 30 EFEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001566753063 1415761707 /nfs/dbraw/zinc/76/17/07/1415761707.db2.gz XTOWJFONWASBCD-HDICACEKSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001566755651 1415764289 /nfs/dbraw/zinc/76/42/89/1415764289.db2.gz OBRLBKHANCZDBQ-OKZBNKHCSA-N 2 0 335.536 2.994 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955306 1415868406 /nfs/dbraw/zinc/86/84/06/1415868406.db2.gz KSXIBPWTUGWXSO-MOPGFXCFSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955307 1415868827 /nfs/dbraw/zinc/86/88/27/1415868827.db2.gz KSXIBPWTUGWXSO-OALUTQOASA-N 2 0 345.531 2.894 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001567081876 1415928196 /nfs/dbraw/zinc/92/81/96/1415928196.db2.gz CZGVALJVDNSMAW-FXAWDEMLSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567148706 1415953252 /nfs/dbraw/zinc/95/32/52/1415953252.db2.gz SZGVVXISHKTFJC-GOSISDBHSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567203236 1415993460 /nfs/dbraw/zinc/99/34/60/1415993460.db2.gz PXXZJAJDUBLNIA-LJQANCHMSA-N 2 0 329.488 2.617 10 30 EFEERP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567254520 1416025014 /nfs/dbraw/zinc/02/50/14/1416025014.db2.gz OYFOTYGELJXUKB-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001567255744 1416027334 /nfs/dbraw/zinc/02/73/34/1416027334.db2.gz XCMAEDDCQJCLOJ-AZUAARDMSA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001567265940 1416043869 /nfs/dbraw/zinc/04/38/69/1416043869.db2.gz DTAGIENWVKCLRE-WOJBJXKFSA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001567627291 1416216065 /nfs/dbraw/zinc/21/60/65/1416216065.db2.gz RJQHWHIRYHTYJZ-XLIONFOSSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001567634370 1416219258 /nfs/dbraw/zinc/21/92/58/1416219258.db2.gz URQAFTNTSQCQQD-OAHLLOKOSA-N 2 0 329.916 2.688 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661489 1416235487 /nfs/dbraw/zinc/23/54/87/1416235487.db2.gz ZPSLPRJVEMWJGI-OALUTQOASA-N 2 0 329.488 2.740 10 30 EFEERP C#CC[NH2+]C[C@]1(NC(=O)CCC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001568043306 1416373720 /nfs/dbraw/zinc/37/37/20/1416373720.db2.gz IDQAWNSMWZVUEK-UYAOXDASSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001568060444 1416385212 /nfs/dbraw/zinc/38/52/12/1416385212.db2.gz MFQGZURLQMXSQT-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001568067762 1416391579 /nfs/dbraw/zinc/39/15/79/1416391579.db2.gz ILBFEOJJIRYZHB-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001568131352 1416421296 /nfs/dbraw/zinc/42/12/96/1416421296.db2.gz BTBKMYGFLLFFGC-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001568155674 1416428059 /nfs/dbraw/zinc/42/80/59/1416428059.db2.gz XVIGQCWAUWULFS-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001568156197 1416428383 /nfs/dbraw/zinc/42/83/83/1416428383.db2.gz QJRYYFDZYNSANM-LJQANCHMSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300234 1416470231 /nfs/dbraw/zinc/47/02/31/1416470231.db2.gz NCXNWWZSLLLCCC-QAPCUYQASA-N 2 0 327.488 2.602 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568336219 1416481055 /nfs/dbraw/zinc/48/10/55/1416481055.db2.gz OTVDRLTXISTCJQ-VQIMIIECSA-N 2 0 341.515 2.896 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001568406751 1416518183 /nfs/dbraw/zinc/51/81/83/1416518183.db2.gz LKUVEBFMXAHKID-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001690127842 1417160675 /nfs/dbraw/zinc/16/06/75/1417160675.db2.gz GOHFRFSMFUDXOT-SFHVURJKSA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001690138974 1417164058 /nfs/dbraw/zinc/16/40/58/1417164058.db2.gz WPKWFFNHMMIIJJ-AZUAARDMSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001690155713 1417166205 /nfs/dbraw/zinc/16/62/05/1417166205.db2.gz GALQHWVCOJBLHK-SJLPKXTDSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCCCC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001690388196 1417206102 /nfs/dbraw/zinc/20/61/02/1417206102.db2.gz DYZWAYGTMTWYHL-GOSISDBHSA-N 2 0 335.536 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001690393875 1417209061 /nfs/dbraw/zinc/20/90/61/1417209061.db2.gz NVEVNRNRYPHCGQ-RBUKOAKNSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001692265168 1417271633 /nfs/dbraw/zinc/27/16/33/1417271633.db2.gz RMYGMIDFWRHDOM-QYZOEREBSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698710475 1417316177 /nfs/dbraw/zinc/31/61/77/1417316177.db2.gz XZNPEGHTTLGWAB-NCXUSEDFSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001699020252 1417372496 /nfs/dbraw/zinc/37/24/96/1417372496.db2.gz MRJFAPFJRZATIS-ZWKOTPCHSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034566 1417378758 /nfs/dbraw/zinc/37/87/58/1417378758.db2.gz OJIVJVCWUDTBFY-OALUTQOASA-N 2 0 333.520 2.559 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001699682794 1417449994 /nfs/dbraw/zinc/44/99/94/1417449994.db2.gz RWFAHILMFIMSDE-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001699688679 1417453382 /nfs/dbraw/zinc/45/33/82/1417453382.db2.gz IAQZFYUDMWWXPY-QZTJIDSGSA-N 2 0 345.531 2.586 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001699696662 1417457036 /nfs/dbraw/zinc/45/70/36/1417457036.db2.gz JJZPQUZWOBHKSU-AZUAARDMSA-N 2 0 333.520 2.751 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CC=C)CC1 ZINC001699781605 1417467918 /nfs/dbraw/zinc/46/79/18/1417467918.db2.gz YKNWPLPSBODJRM-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001699971086 1417531581 /nfs/dbraw/zinc/53/15/81/1417531581.db2.gz WPZAJANNRJTPQT-MJGOQNOKSA-N 2 0 335.536 2.759 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@H]2C1 ZINC001699990843 1417539030 /nfs/dbraw/zinc/53/90/30/1417539030.db2.gz OXKVMYBWMGPQGH-ZVDOUQERSA-N 2 0 347.547 2.833 10 30 EFEERP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001700089691 1417561742 /nfs/dbraw/zinc/56/17/42/1417561742.db2.gz BGWDZXPOXDVVOY-IBGZPJMESA-N 2 0 329.488 2.795 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC001700099465 1417569083 /nfs/dbraw/zinc/56/90/83/1417569083.db2.gz NTOKPJFMRWZETJ-KRWDZBQOSA-N 2 0 349.478 2.962 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709778 1417625675 /nfs/dbraw/zinc/62/56/75/1417625675.db2.gz VTMKNFCVWODEPW-QZTJIDSGSA-N 2 0 349.906 2.918 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001707271561 1418232510 /nfs/dbraw/zinc/23/25/10/1418232510.db2.gz IBATZTGTYNIRJY-SFHVURJKSA-N 2 0 338.455 2.593 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713132719 1418334611 /nfs/dbraw/zinc/33/46/11/1418334611.db2.gz FHMQQBWIXBFURC-LJQANCHMSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223709 1418395307 /nfs/dbraw/zinc/39/53/07/1418395307.db2.gz FWZFZEUGTQXNJD-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001713238601 1418407955 /nfs/dbraw/zinc/40/79/55/1418407955.db2.gz IYXSJMABJYASJV-FQEVSTJZSA-N 2 0 343.515 2.565 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001713238602 1418408321 /nfs/dbraw/zinc/40/83/21/1418408321.db2.gz IYXSJMABJYASJV-HXUWFJFHSA-N 2 0 343.515 2.565 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001713264427 1418432176 /nfs/dbraw/zinc/43/21/76/1418432176.db2.gz CSFCDHIZLDSKJM-LJQANCHMSA-N 2 0 333.520 2.635 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278689 1418448376 /nfs/dbraw/zinc/44/83/76/1418448376.db2.gz HDJPCKKXFQUUFZ-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001713290190 1418456722 /nfs/dbraw/zinc/45/67/22/1418456722.db2.gz DAVYQACKYLZKRE-LADRWXRNSA-N 2 0 339.499 2.792 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001713360906 1418491401 /nfs/dbraw/zinc/49/14/01/1418491401.db2.gz QXIRDZRVXVWTHM-SFHVURJKSA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001713432978 1418526414 /nfs/dbraw/zinc/52/64/14/1418526414.db2.gz PEFISNDJMDRTAH-PKOBYXMFSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001714138786 1418584075 /nfs/dbraw/zinc/58/40/75/1418584075.db2.gz VNBBOLRXUXCVGU-UXHICEINSA-N 2 0 341.499 2.673 10 30 EFEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001714313277 1418598058 /nfs/dbraw/zinc/59/80/58/1418598058.db2.gz SWAFNYVFWKYMJL-WGSAOQKQSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001715303356 1418661618 /nfs/dbraw/zinc/66/16/18/1418661618.db2.gz POXROCJDNLYLKV-KRWDZBQOSA-N 2 0 333.520 2.988 10 30 EFEERP C=CC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001715316804 1418663705 /nfs/dbraw/zinc/66/37/05/1418663705.db2.gz WOCSPTVVMRFRNR-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715858817 1418690349 /nfs/dbraw/zinc/69/03/49/1418690349.db2.gz DAEKSBZYXMRPDG-RTRPANQVSA-N 2 0 339.911 2.798 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001716638219 1418933973 /nfs/dbraw/zinc/93/39/73/1418933973.db2.gz XTJFQQJDHFERAL-MOPGFXCFSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716705517 1418964124 /nfs/dbraw/zinc/96/41/24/1418964124.db2.gz BEWDTGQJIRRUAD-MOPGFXCFSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716708456 1418966754 /nfs/dbraw/zinc/96/67/54/1418966754.db2.gz GEYIMFYSAYJTII-NXEWRWPSSA-N 2 0 345.531 2.774 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001716712489 1418968209 /nfs/dbraw/zinc/96/82/09/1418968209.db2.gz MUICIKVPRDCWAQ-MOPGFXCFSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001716732003 1418982419 /nfs/dbraw/zinc/98/24/19/1418982419.db2.gz OJRMUSDKZUNVCC-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(CC)CC)C[C@@H]2C)CC1 ZINC001716768802 1418999661 /nfs/dbraw/zinc/99/96/61/1418999661.db2.gz GFRSHBKBJRNLPE-FXAWDEMLSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001716795141 1419012840 /nfs/dbraw/zinc/01/28/40/1419012840.db2.gz GTVGFNOFDVNPDS-INIZCTEOSA-N 2 0 327.488 2.603 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCCCC=C)CC1 ZINC001716803949 1419019112 /nfs/dbraw/zinc/01/91/12/1419019112.db2.gz RHIBWAXRQVKBFM-FQEVSTJZSA-N 2 0 345.531 2.753 10 30 EFEERP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001716808939 1419022750 /nfs/dbraw/zinc/02/27/50/1419022750.db2.gz NGZCNMIZXYAYGJ-SFHVURJKSA-N 2 0 349.563 2.937 10 30 EFEERP C#CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](C(C)C)CC1 ZINC001716810266 1419023748 /nfs/dbraw/zinc/02/37/48/1419023748.db2.gz KUNSYBOPHPWWNV-UHFFFAOYSA-N 2 0 341.499 2.696 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC=C(C)C)CC1 ZINC001716811635 1419024727 /nfs/dbraw/zinc/02/47/27/1419024727.db2.gz HFIWHIXKZSDEEP-OALUTQOASA-N 2 0 345.531 2.752 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001716817086 1419028659 /nfs/dbraw/zinc/02/86/59/1419028659.db2.gz GFBQFVIDHZEVFE-MOPGFXCFSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001716889000 1419076456 /nfs/dbraw/zinc/07/64/56/1419076456.db2.gz SSVUHHPBVYEUEZ-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001716888973 1419076650 /nfs/dbraw/zinc/07/66/50/1419076650.db2.gz QVBUGENLHHQQDR-UHFFFAOYSA-N 2 0 347.547 2.903 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001716900431 1419085513 /nfs/dbraw/zinc/08/55/13/1419085513.db2.gz OXZYBTCCXAPHIS-FQEVSTJZSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901119 1419086896 /nfs/dbraw/zinc/08/68/96/1419086896.db2.gz BIJNFLQDPQUAOS-HKUYNNGSSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001716903143 1419088746 /nfs/dbraw/zinc/08/87/46/1419088746.db2.gz XXWRYAZLFPCFKD-GHTZIAJQSA-N 2 0 347.547 2.596 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC/C=C/CC)C2)CC1 ZINC001716974960 1419118934 /nfs/dbraw/zinc/11/89/34/1419118934.db2.gz HKQUEFBJADEZKV-PVTFFILZSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001716993092 1419130357 /nfs/dbraw/zinc/13/03/57/1419130357.db2.gz FMWPCMLHHZYSSO-PXNSSMCTSA-N 2 0 347.547 2.759 10 30 EFEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001716998237 1419134571 /nfs/dbraw/zinc/13/45/71/1419134571.db2.gz MZWWQULJONKZRM-RNQOJCNYSA-N 2 0 345.531 2.654 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001717009955 1419145697 /nfs/dbraw/zinc/14/56/97/1419145697.db2.gz MQSMPOYGBDURAM-OKYOBFRVSA-N 2 0 333.520 2.604 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001717042689 1419176410 /nfs/dbraw/zinc/17/64/10/1419176410.db2.gz CHOLTZYVCWJQGL-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001717042302 1419176961 /nfs/dbraw/zinc/17/69/61/1419176961.db2.gz NJIZQENAWXTUHQ-YZGWKJHDSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001717130571 1419228924 /nfs/dbraw/zinc/22/89/24/1419228924.db2.gz YVZLUWSXIOLDBO-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH+]1CCc2c(CNC(=O)C[N@@H+](C)CCC)cccc2C1 ZINC001717144154 1419235881 /nfs/dbraw/zinc/23/58/81/1419235881.db2.gz YDCWZHBBYMNCOO-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001717216481 1419270126 /nfs/dbraw/zinc/27/01/26/1419270126.db2.gz JIRMXMSYIUMMSU-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCn3ccnc3)C2)C1 ZINC001717217540 1419270750 /nfs/dbraw/zinc/27/07/50/1419270750.db2.gz SGZPARBUQKIQQC-MOPGFXCFSA-N 2 0 344.503 2.800 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)C1 ZINC001717217542 1419270871 /nfs/dbraw/zinc/27/08/71/1419270871.db2.gz SGZPARBUQKIQQC-RBUKOAKNSA-N 2 0 344.503 2.800 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)cc2C1 ZINC001717271114 1419300415 /nfs/dbraw/zinc/30/04/15/1419300415.db2.gz XRHKBELNJOESRW-QGZVFWFLSA-N 2 0 341.499 2.926 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@H+]3CC[C@H](C)C3)cc2C1 ZINC001717271005 1419300788 /nfs/dbraw/zinc/30/07/88/1419300788.db2.gz UBBRVYBADGVHOG-KRWDZBQOSA-N 2 0 341.499 2.926 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717297691 1419313252 /nfs/dbraw/zinc/31/32/52/1419313252.db2.gz FKUSAOGRBBJROO-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001717300638 1419314959 /nfs/dbraw/zinc/31/49/59/1419314959.db2.gz NLXXNWGWBQFDPK-LJQANCHMSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001717309183 1419320789 /nfs/dbraw/zinc/32/07/89/1419320789.db2.gz GZPFIDOZJFGHMK-ZWKOTPCHSA-N 2 0 333.520 2.511 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001717309509 1419321357 /nfs/dbraw/zinc/32/13/57/1419321357.db2.gz NWSUIFIDPIMSRV-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001717344865 1419345405 /nfs/dbraw/zinc/34/54/05/1419345405.db2.gz ZVWFLSUHJAQASO-IBGZPJMESA-N 2 0 329.488 2.618 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001717368772 1419362188 /nfs/dbraw/zinc/36/21/88/1419362188.db2.gz FMGDEEBHXWTCBV-MSOLQXFVSA-N 2 0 333.520 2.892 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)CCC=C)CC1 ZINC001717376572 1419368204 /nfs/dbraw/zinc/36/82/04/1419368204.db2.gz UCCICDXJBDEWOD-QUCCMNQESA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717552301 1419441696 /nfs/dbraw/zinc/44/16/96/1419441696.db2.gz FKOAWWWCRJEODR-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001717630292 1419478442 /nfs/dbraw/zinc/47/84/42/1419478442.db2.gz LEVPNCCPBMVUFB-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001717630788 1419479526 /nfs/dbraw/zinc/47/95/26/1419479526.db2.gz DGWPBFMUKVDPKH-BGYRXZFFSA-N 2 0 335.536 2.711 10 30 EFEERP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001717700815 1419514581 /nfs/dbraw/zinc/51/45/81/1419514581.db2.gz HVRCVGKMZUVZTF-NZSAHSFTSA-N 2 0 335.536 2.994 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001717840819 1419570136 /nfs/dbraw/zinc/57/01/36/1419570136.db2.gz LIWBTNKUNFDUQW-HOJAQTOUSA-N 2 0 331.504 2.552 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001717840630 1419570498 /nfs/dbraw/zinc/57/04/98/1419570498.db2.gz LYCGNIJHYLYFLK-PNYFIKQUSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001717845157 1419574410 /nfs/dbraw/zinc/57/44/10/1419574410.db2.gz CUMSRHOKXAMBPU-GUDVDZBRSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001717847820 1419576517 /nfs/dbraw/zinc/57/65/17/1419576517.db2.gz LPQIPNJVRXFBKN-GBESFXJTSA-N 2 0 345.531 2.798 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001717882273 1419600729 /nfs/dbraw/zinc/60/07/29/1419600729.db2.gz BBSPBNVMCKUVHR-MJGOQNOKSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCCC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001718004006 1419652113 /nfs/dbraw/zinc/65/21/13/1419652113.db2.gz ZGWIGUNKCONLGV-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723100916 1424423418 /nfs/dbraw/zinc/42/34/18/1424423418.db2.gz ITSPUUVZVUYTME-KRWDZBQOSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001723300738 1424461678 /nfs/dbraw/zinc/46/16/78/1424461678.db2.gz MDJQKIXATKROPS-PKOBYXMFSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001723300733 1424461772 /nfs/dbraw/zinc/46/17/72/1424461772.db2.gz MDJQKIXATKROPS-HKUYNNGSSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608674 1424532669 /nfs/dbraw/zinc/53/26/69/1424532669.db2.gz RLEYVBVRCSNNBN-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609714 1424535972 /nfs/dbraw/zinc/53/59/72/1424535972.db2.gz WGKJMARVSAJVAF-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001723616686 1424537429 /nfs/dbraw/zinc/53/74/29/1424537429.db2.gz FEPVKIWHAPKDIO-RAFMOHDBSA-N 2 0 345.531 2.796 10 30 EFEERP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001723624571 1424538572 /nfs/dbraw/zinc/53/85/72/1424538572.db2.gz DAMSKROHJVWMPM-YQQQUEKLSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001723647343 1424545748 /nfs/dbraw/zinc/54/57/48/1424545748.db2.gz JJRMGXSGICBRLN-UHFFFAOYSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001723678229 1424553396 /nfs/dbraw/zinc/55/33/96/1424553396.db2.gz DJMQTHBZPMDDBG-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)CC1 ZINC001723699679 1424561903 /nfs/dbraw/zinc/56/19/03/1424561903.db2.gz NLSDWYISJVOAIL-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001723721576 1424567647 /nfs/dbraw/zinc/56/76/47/1424567647.db2.gz NOMCXBODARTBFW-FPOVZHCZSA-N 2 0 341.499 2.790 10 30 EFEERP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001723721578 1424568047 /nfs/dbraw/zinc/56/80/47/1424568047.db2.gz NOMCXBODARTBFW-TZIWHRDSSA-N 2 0 341.499 2.790 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCC(=C)C)CC1 ZINC001724059634 1424641147 /nfs/dbraw/zinc/64/11/47/1424641147.db2.gz DUSRDZVTBZNMKF-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724285620 1424722680 /nfs/dbraw/zinc/72/26/80/1424722680.db2.gz OKGUOPRMTJWCTK-RCCFBDPRSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325621 1424735514 /nfs/dbraw/zinc/73/55/14/1424735514.db2.gz ZTXMSBNUPAAQKD-CTNGQTDRSA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001724328498 1424735971 /nfs/dbraw/zinc/73/59/71/1424735971.db2.gz ICVFBXKIEBOZFB-OAQYLSRUSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724545574 1424790519 /nfs/dbraw/zinc/79/05/19/1424790519.db2.gz BVZROJCBKOYWDH-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001724649183 1424878921 /nfs/dbraw/zinc/87/89/21/1424878921.db2.gz LJYCZKNSCLVLET-GBESFXJTSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001724649191 1424879664 /nfs/dbraw/zinc/87/96/64/1424879664.db2.gz LJYCZKNSCLVLET-IPMKNSEASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653944 1424886070 /nfs/dbraw/zinc/88/60/70/1424886070.db2.gz XADMVNRKYCPSQJ-RBUKOAKNSA-N 2 0 333.520 2.894 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001724654056 1424886823 /nfs/dbraw/zinc/88/68/23/1424886823.db2.gz SDBACVGEEHXAAJ-IPMKNSEASA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654805 1424888783 /nfs/dbraw/zinc/88/87/83/1424888783.db2.gz JVJTUWJLVHVEAU-MSOLQXFVSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001724655821 1424891242 /nfs/dbraw/zinc/89/12/42/1424891242.db2.gz MSJOXJNJIPRZEP-OALUTQOASA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH+]1CCc2c(CNC(=O)C[N@@H+](C)C(C)C)cccc2C1 ZINC001724777791 1425005395 /nfs/dbraw/zinc/00/53/95/1425005395.db2.gz VEPHDXRNXBWHAM-UHFFFAOYSA-N 2 0 343.515 2.967 10 30 EFEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001724856044 1425074107 /nfs/dbraw/zinc/07/41/07/1425074107.db2.gz QIVDHVAAIZNTBT-LJQANCHMSA-N 2 0 341.515 2.945 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724866085 1425081634 /nfs/dbraw/zinc/08/16/34/1425081634.db2.gz ZVPNUTZVXJFEHM-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001724867949 1425083264 /nfs/dbraw/zinc/08/32/64/1425083264.db2.gz NWCHXERSQHFIQG-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001724900811 1425119747 /nfs/dbraw/zinc/11/97/47/1425119747.db2.gz RMGWTYCZVMDBJJ-QUCCMNQESA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001724948242 1425156289 /nfs/dbraw/zinc/15/62/89/1425156289.db2.gz UYHSDRREFDHDRY-PXNSSMCTSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001724997967 1425208953 /nfs/dbraw/zinc/20/89/53/1425208953.db2.gz BLDACGAKVDQZBL-NVXWUHKLSA-N 2 0 332.492 2.976 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055705 1425266400 /nfs/dbraw/zinc/26/64/00/1425266400.db2.gz BZXYXMIWBIBZNY-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001725213030 1425382271 /nfs/dbraw/zinc/38/22/71/1425382271.db2.gz IHMBCNVHUQOWKF-LPHOPBHVSA-N 2 0 341.515 2.848 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725236395 1425401084 /nfs/dbraw/zinc/40/10/84/1425401084.db2.gz JIEWLTRBMLMFIY-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001725344403 1425493330 /nfs/dbraw/zinc/49/33/30/1425493330.db2.gz GQOSEQTZOJRJDW-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001725345546 1425494470 /nfs/dbraw/zinc/49/44/70/1425494470.db2.gz JLEAQGOHMZWMFE-OYRHEFFESA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001725670743 1425768279 /nfs/dbraw/zinc/76/82/79/1425768279.db2.gz ZCQSPPRHGFNZCI-IEBWSBKVSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001725767600 1425834418 /nfs/dbraw/zinc/83/44/18/1425834418.db2.gz LPOFKISDHUYEIR-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001725817906 1425876721 /nfs/dbraw/zinc/87/67/21/1425876721.db2.gz YZHVJSNFZAIEJQ-PKOBYXMFSA-N 2 0 333.520 2.964 10 30 EFEERP Cc1cccc(NC(=[NH2+])NCc2ccccc2OCC[NH+](C)C)c1 ZINC000303900090 724432942 /nfs/dbraw/zinc/43/29/42/724432942.db2.gz WNDZPAGBELFVPB-UHFFFAOYSA-N 2 0 326.444 2.862 10 30 EFEERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000066243168 718160371 /nfs/dbraw/zinc/16/03/71/718160371.db2.gz GVUOSSMEEBLEMJ-APWZRJJASA-N 2 0 344.503 2.502 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000907379545 726931919 /nfs/dbraw/zinc/93/19/19/726931919.db2.gz VFNHSMMYUJWRKQ-IBGZPJMESA-N 2 0 329.488 2.617 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000908936681 727288490 /nfs/dbraw/zinc/28/84/90/727288490.db2.gz OIRGKTUMBKAABL-UHFFFAOYSA-N 2 0 329.488 2.665 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000913098129 727781039 /nfs/dbraw/zinc/78/10/39/727781039.db2.gz YTCUYVZETUKQPF-APWZRJJASA-N 2 0 329.488 2.521 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137709 727862336 /nfs/dbraw/zinc/86/23/36/727862336.db2.gz CVQIZSLVMDYHHT-SFHVURJKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137904 727862643 /nfs/dbraw/zinc/86/26/43/727862643.db2.gz GMMHFHLJUAQTRG-GOSISDBHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137905 727862885 /nfs/dbraw/zinc/86/28/85/727862885.db2.gz GMMHFHLJUAQTRG-SFHVURJKSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745807 728220191 /nfs/dbraw/zinc/22/01/91/728220191.db2.gz VHPQRTDAIIHCLF-ROUUACIJSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001569357792 1085138320 /nfs/dbraw/zinc/13/83/20/1085138320.db2.gz QHTQNIAZZAPTEA-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001569437121 1085214581 /nfs/dbraw/zinc/21/45/81/1085214581.db2.gz PRDGZKALEFWOPF-ICSRJNTNSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001569442076 1085220772 /nfs/dbraw/zinc/22/07/72/1085220772.db2.gz GCHBKYIQEAYWKV-XVLXNVKGSA-N 2 0 333.520 2.632 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001569442629 1085221803 /nfs/dbraw/zinc/22/18/03/1085221803.db2.gz BOERDNJTKUOJGG-YQQQUEKLSA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001569466762 1085260828 /nfs/dbraw/zinc/26/08/28/1085260828.db2.gz DYMJLUUDCZVJJQ-OAQYLSRUSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001569470979 1085268591 /nfs/dbraw/zinc/26/85/91/1085268591.db2.gz OLUGGEMXXKBPLY-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001569525931 1085340764 /nfs/dbraw/zinc/34/07/64/1085340764.db2.gz CURZKMCZQPMSMA-IRXDYDNUSA-N 2 0 345.487 2.727 10 30 EFEERP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001569589386 1085412397 /nfs/dbraw/zinc/41/23/97/1085412397.db2.gz KSJNFIDMNLLLJN-RTBURBONSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001569590788 1085413945 /nfs/dbraw/zinc/41/39/45/1085413945.db2.gz OXLFLLJHUILZMJ-UHFFFAOYSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001569593898 1085416813 /nfs/dbraw/zinc/41/68/13/1085416813.db2.gz OYCOUXNKDOQXBP-ICSRJNTNSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCCC=C)CC1 ZINC001569596187 1085419510 /nfs/dbraw/zinc/41/95/10/1085419510.db2.gz QEZRRQINMMUNET-UHFFFAOYSA-N 2 0 345.531 2.755 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCCCC)CC1 ZINC001569595963 1085419631 /nfs/dbraw/zinc/41/96/31/1085419631.db2.gz IZHBKEYQFQWRBL-OALUTQOASA-N 2 0 347.547 2.976 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001569595575 1085419884 /nfs/dbraw/zinc/41/98/84/1085419884.db2.gz TXRSREGLTZOLRA-UHFFFAOYSA-N 2 0 345.531 2.755 10 30 EFEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001569655848 1085490415 /nfs/dbraw/zinc/49/04/15/1085490415.db2.gz XTDDLMHINQZHPN-FQEVSTJZSA-N 2 0 329.488 2.909 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001569690320 1085520866 /nfs/dbraw/zinc/52/08/66/1085520866.db2.gz KPOYLZQWSYMQMO-OAQYLSRUSA-N 2 0 347.547 2.903 10 30 EFEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001569716408 1085552150 /nfs/dbraw/zinc/55/21/50/1085552150.db2.gz XDVVWEGRPNEXKR-FPOVZHCZSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001569843634 1085666098 /nfs/dbraw/zinc/66/60/98/1085666098.db2.gz SIFOEKLCQULHBH-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001569877396 1085709661 /nfs/dbraw/zinc/70/96/61/1085709661.db2.gz LHVOVVFKLCSEEA-OTWHNJEPSA-N 2 0 335.536 2.709 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001570026834 1085876522 /nfs/dbraw/zinc/87/65/22/1085876522.db2.gz LLILUVJXFJLHCC-UXHICEINSA-N 2 0 341.499 2.938 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001570026833 1085876752 /nfs/dbraw/zinc/87/67/52/1085876752.db2.gz LLILUVJXFJLHCC-PMACEKPBSA-N 2 0 341.499 2.938 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031450 1085883877 /nfs/dbraw/zinc/88/38/77/1085883877.db2.gz PJEASIYADXZDLP-PXNSSMCTSA-N 2 0 341.499 2.850 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001570043407 1085897122 /nfs/dbraw/zinc/89/71/22/1085897122.db2.gz QXHFGZZTPIFWGD-FHWLQOOXSA-N 2 0 335.536 2.949 10 30 EFEERP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001570050451 1085904530 /nfs/dbraw/zinc/90/45/30/1085904530.db2.gz BBHUTBRNBMHESP-GOSISDBHSA-N 2 0 335.536 2.975 10 30 EFEERP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001570054752 1085909024 /nfs/dbraw/zinc/90/90/24/1085909024.db2.gz CRRZAOYNTGXEAN-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001570179734 1086022694 /nfs/dbraw/zinc/02/26/94/1086022694.db2.gz UVHQRLQHMCWLML-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001570206056 1086050807 /nfs/dbraw/zinc/05/08/07/1086050807.db2.gz GWKUCORCQWKNJK-LJQANCHMSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570219805 1086060331 /nfs/dbraw/zinc/06/03/31/1086060331.db2.gz HNPHYHAUAOKDCU-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570219806 1086060473 /nfs/dbraw/zinc/06/04/73/1086060473.db2.gz HNPHYHAUAOKDCU-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001570220921 1086062353 /nfs/dbraw/zinc/06/23/53/1086062353.db2.gz YETZARFGXYBJTH-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001570220450 1086062714 /nfs/dbraw/zinc/06/27/14/1086062714.db2.gz RVVZAKSCMVDOEP-MOPGFXCFSA-N 2 0 347.547 2.548 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220872 1086062757 /nfs/dbraw/zinc/06/27/57/1086062757.db2.gz XWCTWEDVFOOFKM-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001570363486 1086169781 /nfs/dbraw/zinc/16/97/81/1086169781.db2.gz CBBHHUUOGGFAAR-MJIPRMEISA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001570393268 1086193167 /nfs/dbraw/zinc/19/31/67/1086193167.db2.gz FXQIXHWMXVDWNP-DLBZAZTESA-N 2 0 341.515 2.849 10 30 EFEERP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001570501526 1086290253 /nfs/dbraw/zinc/29/02/53/1086290253.db2.gz POHWMTADKLDALW-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001570537178 1086329483 /nfs/dbraw/zinc/32/94/83/1086329483.db2.gz YVSQZKWVEPAASB-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001570544575 1086339998 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PUOHCNHPYMMTRM-MJGOQNOKSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001570840840 1086559618 /nfs/dbraw/zinc/55/96/18/1086559618.db2.gz AIRZRCVOTOOMNN-APWZRJJASA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001570859770 1086574162 /nfs/dbraw/zinc/57/41/62/1086574162.db2.gz FEZWUOLIZSNGNX-VQIMIIECSA-N 2 0 329.488 2.692 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001570966060 1086625743 /nfs/dbraw/zinc/62/57/43/1086625743.db2.gz RTXDRZYLWABNFB-OWZKRDHZSA-N 2 0 341.499 2.622 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001571147773 1086670504 /nfs/dbraw/zinc/67/05/04/1086670504.db2.gz DLJBPMRAUPRDPI-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001571332550 1086730665 /nfs/dbraw/zinc/73/06/65/1086730665.db2.gz JYXQGHDLTWOCIX-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001571462689 1086835981 /nfs/dbraw/zinc/83/59/81/1086835981.db2.gz IGTOAWOWYDTLSV-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001571467034 1086841741 /nfs/dbraw/zinc/84/17/41/1086841741.db2.gz FASURWOJEMLIFN-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001571537403 1086944535 /nfs/dbraw/zinc/94/45/35/1086944535.db2.gz BFUIRWXENZLFFC-SJORKVTESA-N 2 0 333.520 2.537 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001571687150 1087049129 /nfs/dbraw/zinc/04/91/29/1087049129.db2.gz VAGGWJDMUWOPJG-HKUYNNGSSA-N 2 0 333.520 2.962 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001267023037 1092385177 /nfs/dbraw/zinc/38/51/77/1092385177.db2.gz QXQAMMFUDCRGEF-OALUTQOASA-N 2 0 329.488 2.836 10 30 EFEERP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001649435028 1092453661 /nfs/dbraw/zinc/45/36/61/1092453661.db2.gz LPPKFYVRFZKYBO-OALUTQOASA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001649459334 1092491702 /nfs/dbraw/zinc/49/17/02/1092491702.db2.gz MRHQWLFEMIWHED-GOSISDBHSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001649462525 1092498155 /nfs/dbraw/zinc/49/81/55/1092498155.db2.gz KDFHSVPPXYFHED-OALUTQOASA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001649462527 1092498235 /nfs/dbraw/zinc/49/82/35/1092498235.db2.gz KDFHSVPPXYFHED-RBUKOAKNSA-N 2 0 347.547 2.855 10 30 EFEERP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001267107292 1092749749 /nfs/dbraw/zinc/74/97/49/1092749749.db2.gz BTSXFSWGGDENAS-IBGZPJMESA-N 2 0 333.520 2.587 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001267170091 1093046148 /nfs/dbraw/zinc/04/61/48/1093046148.db2.gz DKCVTTSZGZUGPE-QZTJIDSGSA-N 2 0 344.503 2.773 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267200499 1093171526 /nfs/dbraw/zinc/17/15/26/1093171526.db2.gz CROSODZVBBLPNX-IRXDYDNUSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267200344 1093173654 /nfs/dbraw/zinc/17/36/54/1093173654.db2.gz BTQHMVUXQQZIFN-KXBFYZLASA-N 2 0 339.499 2.602 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001267222249 1093251536 /nfs/dbraw/zinc/25/15/36/1093251536.db2.gz JVFHIHWUFPSGQY-QGZVFWFLSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222497 1093254754 /nfs/dbraw/zinc/25/47/54/1093254754.db2.gz NLGVPENFQUUSMK-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001267257379 1093388465 /nfs/dbraw/zinc/38/84/65/1093388465.db2.gz KQTFRCWBHMVEEI-IBGZPJMESA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001267346124 1093634851 /nfs/dbraw/zinc/63/48/51/1093634851.db2.gz LJOOZUJMXZIAEE-WOJBJXKFSA-N 2 0 341.499 2.674 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267370756 1094338845 /nfs/dbraw/zinc/33/88/45/1094338845.db2.gz UASRXHZONFNIMH-LJQANCHMSA-N 2 0 329.488 2.742 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267376578 1094370884 /nfs/dbraw/zinc/37/08/84/1094370884.db2.gz GWOGPOVAZKBSAF-LJQANCHMSA-N 2 0 329.488 2.742 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001267376576 1094370931 /nfs/dbraw/zinc/37/09/31/1094370931.db2.gz GWOGPOVAZKBSAF-IBGZPJMESA-N 2 0 329.488 2.742 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267604622 1094449958 /nfs/dbraw/zinc/44/99/58/1094449958.db2.gz YINIGUBSCCADKD-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481111640 1094606582 /nfs/dbraw/zinc/60/65/82/1094606582.db2.gz IZNYMYBZYBBJSL-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481125614 1094849167 /nfs/dbraw/zinc/84/91/67/1094849167.db2.gz DPMNPASSZVDQFX-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001268046916 1094895712 /nfs/dbraw/zinc/89/57/12/1094895712.db2.gz PAXCIEBSOWTLPH-ROUUACIJSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496878 1094937345 /nfs/dbraw/zinc/93/73/45/1094937345.db2.gz URQUQHOZWFPOIB-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481498202 1094947021 /nfs/dbraw/zinc/94/70/21/1094947021.db2.gz OPTYQYMCVYPXMY-LJQANCHMSA-N 2 0 343.515 2.761 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001481515920 1095056510 /nfs/dbraw/zinc/05/65/10/1095056510.db2.gz HJVIUBQONHROAG-UHFFFAOYSA-N 2 0 326.444 2.923 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001481518438 1095073778 /nfs/dbraw/zinc/07/37/78/1095073778.db2.gz UWCXJBIZAUCQKL-UHFFFAOYSA-N 2 0 343.515 2.761 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001267518885 1095202261 /nfs/dbraw/zinc/20/22/61/1095202261.db2.gz DWBFBWBCZZHRII-UXHICEINSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268087716 1095254883 /nfs/dbraw/zinc/25/48/83/1095254883.db2.gz RJKSPBXEOSZECO-RLLQIKCJSA-N 2 0 343.515 2.735 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267657929 1095353316 /nfs/dbraw/zinc/35/33/16/1095353316.db2.gz IEHRABALZZALQA-PKOBYXMFSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001268118971 1095404663 /nfs/dbraw/zinc/40/46/63/1095404663.db2.gz FSNNVGLXAMRZJK-LJQANCHMSA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001268123911 1095418556 /nfs/dbraw/zinc/41/85/56/1095418556.db2.gz RDMCMQJNCXQBRO-FQEVSTJZSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001268141148 1095490029 /nfs/dbraw/zinc/49/00/29/1095490029.db2.gz KDFDOWULDPPOPB-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)C2)CC1 ZINC001268141478 1095492043 /nfs/dbraw/zinc/49/20/43/1095492043.db2.gz LDKNDOHBTRHFBL-IEBWSBKVSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267707962 1095557064 /nfs/dbraw/zinc/55/70/64/1095557064.db2.gz ILWZWIUCLNWEJJ-GOSISDBHSA-N 2 0 329.488 2.718 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267708934 1095569168 /nfs/dbraw/zinc/56/91/68/1095569168.db2.gz RSTOKYDMCAKBRG-QGZVFWFLSA-N 2 0 341.927 2.785 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001267572114 1095712689 /nfs/dbraw/zinc/71/26/89/1095712689.db2.gz WRCYPSOOEDXIQS-RBUKOAKNSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001267733109 1095749911 /nfs/dbraw/zinc/74/99/11/1095749911.db2.gz CESRUKLACUEGMY-HKUYNNGSSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267588524 1096009559 /nfs/dbraw/zinc/00/95/59/1096009559.db2.gz CLJRBISACUQXRT-LPHOPBHVSA-N 2 0 339.499 2.555 10 30 EFEERP C=CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001268198353 1096078836 /nfs/dbraw/zinc/07/88/36/1096078836.db2.gz XAUGHLUFFBKUFO-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001268199229 1096085430 /nfs/dbraw/zinc/08/54/30/1096085430.db2.gz FTQCKXPCLJNBPB-FQEVSTJZSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001267601578 1096198398 /nfs/dbraw/zinc/19/83/98/1096198398.db2.gz PQAXLOFQNBHCHV-RBUKOAKNSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001268265820 1096212472 /nfs/dbraw/zinc/21/24/72/1096212472.db2.gz BMDDUNRVFUWOOH-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268287527 1096262481 /nfs/dbraw/zinc/26/24/81/1096262481.db2.gz HAZSYKOUNURFKW-UXHICEINSA-N 2 0 347.547 2.949 10 30 EFEERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001481880529 1096850234 /nfs/dbraw/zinc/85/02/34/1096850234.db2.gz GJLMWBMEVCJIBA-KRWDZBQOSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481985975 1097048865 /nfs/dbraw/zinc/04/88/65/1097048865.db2.gz IILNVWLVXZEJTJ-KRWDZBQOSA-N 2 0 341.927 2.689 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481990999 1097056700 /nfs/dbraw/zinc/05/67/00/1097056700.db2.gz IAUSBVOFHIGZTQ-SFHVURJKSA-N 2 0 341.499 2.603 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481991244 1097056851 /nfs/dbraw/zinc/05/68/51/1097056851.db2.gz LRNMIKKAZPVPOJ-WOJBJXKFSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001482029333 1097106711 /nfs/dbraw/zinc/10/67/11/1097106711.db2.gz JNZZMYYHHNLXER-HXUWFJFHSA-N 2 0 341.499 2.700 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001482031983 1097123956 /nfs/dbraw/zinc/12/39/56/1097123956.db2.gz ICZIONPEDANRIM-UHFFFAOYSA-N 2 0 327.472 2.597 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001482032579 1097124870 /nfs/dbraw/zinc/12/48/70/1097124870.db2.gz ZVPHJEPUXPGMGW-LJQANCHMSA-N 2 0 329.488 2.699 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001482033226 1097129160 /nfs/dbraw/zinc/12/91/60/1097129160.db2.gz FXNWFSQAICQUHK-WOJBJXKFSA-N 2 0 341.499 2.985 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001482035001 1097135257 /nfs/dbraw/zinc/13/52/57/1097135257.db2.gz KBRGRXZMYCPJMI-VQTJNVASSA-N 2 0 341.499 2.536 10 30 EFEERP C#CCC[NH2+]Cc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC001482035949 1097136165 /nfs/dbraw/zinc/13/61/65/1097136165.db2.gz QMABEYRAMOIMQE-UHFFFAOYSA-N 2 0 349.478 2.791 10 30 EFEERP C=CCCCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001482072031 1097226959 /nfs/dbraw/zinc/22/69/59/1097226959.db2.gz RHOVHWGHWJLOAN-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCCn1ccnc1)CC2 ZINC001482071569 1097232567 /nfs/dbraw/zinc/23/25/67/1097232567.db2.gz VPHFLTCFPHKSPD-UHFFFAOYSA-N 2 0 330.476 2.554 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001269251076 1097985544 /nfs/dbraw/zinc/98/55/44/1097985544.db2.gz LFLUTDGQLGCQFO-ROUUACIJSA-N 2 0 346.519 2.949 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001269346154 1098073080 /nfs/dbraw/zinc/07/30/80/1098073080.db2.gz ZRXWGWISFYINKA-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001269425626 1098129460 /nfs/dbraw/zinc/12/94/60/1098129460.db2.gz SEZLQBQIKHLBIQ-SJLPKXTDSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001482232111 1098263427 /nfs/dbraw/zinc/26/34/27/1098263427.db2.gz ALAKISSJOVKXGN-HOTGVXAUSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269632699 1098309420 /nfs/dbraw/zinc/30/94/20/1098309420.db2.gz KLJJCHCPSOYSGB-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001269634044 1098310970 /nfs/dbraw/zinc/31/09/70/1098310970.db2.gz JLFIQEHCKBQDRQ-RBUKOAKNSA-N 2 0 339.499 2.650 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001269633578 1098312106 /nfs/dbraw/zinc/31/21/06/1098312106.db2.gz ZNVXERGIJGKAHT-HKUYNNGSSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001269637122 1098313910 /nfs/dbraw/zinc/31/39/10/1098313910.db2.gz AFTNEFOUMGGHAL-HXUWFJFHSA-N 2 0 329.488 2.812 10 30 EFEERP C=CCCC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001269677263 1098351993 /nfs/dbraw/zinc/35/19/93/1098351993.db2.gz PEHMLVRRIDMVBI-XLIONFOSSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001269693299 1098373745 /nfs/dbraw/zinc/37/37/45/1098373745.db2.gz SMNWKXWFUQBXKR-HXUWFJFHSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001269693707 1098374997 /nfs/dbraw/zinc/37/49/97/1098374997.db2.gz YOIUEBVWJDJKRK-HXUWFJFHSA-N 2 0 345.531 2.896 10 30 EFEERP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001269700385 1098378772 /nfs/dbraw/zinc/37/87/72/1098378772.db2.gz WQHKJAGUYOQFNX-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001269740577 1098412931 /nfs/dbraw/zinc/41/29/31/1098412931.db2.gz GOIWZITUVILJMD-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001269951407 1098542295 /nfs/dbraw/zinc/54/22/95/1098542295.db2.gz JJSZNLXOTVOOCJ-HXUWFJFHSA-N 2 0 341.499 2.531 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001269960030 1098548827 /nfs/dbraw/zinc/54/88/27/1098548827.db2.gz PZANARKHBMKKCZ-ROUUACIJSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267914482 1098605815 /nfs/dbraw/zinc/60/58/15/1098605815.db2.gz HUNJIVVHRNCMEX-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001267937181 1098749548 /nfs/dbraw/zinc/74/95/48/1098749548.db2.gz JKBDDPWCEBHFIJ-MRXNPFEDSA-N 2 0 335.517 2.970 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267947558 1098796504 /nfs/dbraw/zinc/79/65/04/1098796504.db2.gz WNIOZMJCOGWSMB-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CCCCC)CC2)CC1 ZINC001267948677 1098804485 /nfs/dbraw/zinc/80/44/85/1098804485.db2.gz OJYZXUCTKLJQFW-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267957748 1098895263 /nfs/dbraw/zinc/89/52/63/1098895263.db2.gz LFPDUTLFMUASNM-RTBURBONSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCCC)CC1 ZINC001270295554 1098922540 /nfs/dbraw/zinc/92/25/40/1098922540.db2.gz BYOLRLJQJLFVSS-FQEVSTJZSA-N 2 0 347.547 2.977 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001270315048 1098948299 /nfs/dbraw/zinc/94/82/99/1098948299.db2.gz DXIVYZHORZLLCH-FQEVSTJZSA-N 2 0 345.531 2.752 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001270338317 1098979214 /nfs/dbraw/zinc/97/92/14/1098979214.db2.gz BCDAULLGXIGZMG-GOSISDBHSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001270350804 1098993720 /nfs/dbraw/zinc/99/37/20/1098993720.db2.gz ANOBFLGBMAITJB-GOSISDBHSA-N 2 0 333.520 2.586 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001270359086 1099003762 /nfs/dbraw/zinc/00/37/62/1099003762.db2.gz RSSWGJMMXZCNLL-IEBWSBKVSA-N 2 0 333.520 2.608 10 30 EFEERP C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001267974447 1099038232 /nfs/dbraw/zinc/03/82/32/1099038232.db2.gz YZHMKNYQCJEXAI-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)C1CCCC1 ZINC001270412516 1099071431 /nfs/dbraw/zinc/07/14/31/1099071431.db2.gz GCJHSMTWDFGHOH-QGZVFWFLSA-N 2 0 332.492 2.767 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001270439875 1099091783 /nfs/dbraw/zinc/09/17/83/1099091783.db2.gz BZAFEFUXJSCVMM-HKUYNNGSSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](C)CC)C2CCCC2)CC1 ZINC001270459022 1099111974 /nfs/dbraw/zinc/11/19/74/1099111974.db2.gz YJGFEUVJCAJPDL-XLIONFOSSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001270513006 1099163991 /nfs/dbraw/zinc/16/39/91/1099163991.db2.gz MSTOMXKSNAYVBO-PZJWPPBQSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001270513029 1099164338 /nfs/dbraw/zinc/16/43/38/1099164338.db2.gz MYENQXWDALWIAQ-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001615894789 1099166142 /nfs/dbraw/zinc/16/61/42/1099166142.db2.gz MITZBKBYYBTEQU-GBESFXJTSA-N 2 0 333.520 2.818 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001280250935 1099226346 /nfs/dbraw/zinc/22/63/46/1099226346.db2.gz FBMUJSPFTROCEH-SFHVURJKSA-N 2 0 333.520 2.513 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCCCCC1 ZINC001267806053 1099331978 /nfs/dbraw/zinc/33/19/78/1099331978.db2.gz JYPTXVOOJRTTIM-MOPGFXCFSA-N 2 0 333.520 2.539 10 30 EFEERP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267820293 1099428100 /nfs/dbraw/zinc/42/81/00/1099428100.db2.gz PESIICRKEGHGEC-MSOLQXFVSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001481370464 1099501291 /nfs/dbraw/zinc/50/12/91/1099501291.db2.gz FRBYSQWPEQSJRX-MJGOQNOKSA-N 2 0 329.488 2.742 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481370890 1099503693 /nfs/dbraw/zinc/50/36/93/1099503693.db2.gz NTJXEEABGKPWPM-MOPGFXCFSA-N 2 0 329.488 2.882 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001481371711 1099506185 /nfs/dbraw/zinc/50/61/85/1099506185.db2.gz AFOHDTNIVAWHNH-LJQANCHMSA-N 2 0 329.488 2.742 10 30 EFEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737902 1099509361 /nfs/dbraw/zinc/50/93/61/1099509361.db2.gz WBGFBXRMESZWFK-UYAOXDASSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737899 1099509535 /nfs/dbraw/zinc/50/95/35/1099509535.db2.gz WBGFBXRMESZWFK-AZUAARDMSA-N 2 0 333.520 2.798 10 30 EFEERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001482330855 1099627105 /nfs/dbraw/zinc/62/71/05/1099627105.db2.gz NCUADQGQCHZGBU-AZUAARDMSA-N 2 0 343.515 2.595 10 30 EFEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481402238 1099632184 /nfs/dbraw/zinc/63/21/84/1099632184.db2.gz UHJHIUBXTCRDBN-KRWDZBQOSA-N 2 0 326.444 2.755 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001481411967 1099675293 /nfs/dbraw/zinc/67/52/93/1099675293.db2.gz NFCQYDVPRKRXTC-FQEVSTJZSA-N 2 0 345.531 2.611 10 30 EFEERP CCCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001270830490 1099679234 /nfs/dbraw/zinc/67/92/34/1099679234.db2.gz RKUBYRVDBMOMFB-LJQANCHMSA-N 2 0 335.536 2.881 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001279136668 1099704082 /nfs/dbraw/zinc/70/40/82/1099704082.db2.gz BKTFNRVENDPEIE-PKOBYXMFSA-N 2 0 343.515 2.665 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001270846377 1099712554 /nfs/dbraw/zinc/71/25/54/1099712554.db2.gz DYJBZYQHNSFUKR-ICSRJNTNSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]C[C@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@H]1C ZINC001267872013 1099776551 /nfs/dbraw/zinc/77/65/51/1099776551.db2.gz LASUGFOUOCPOAJ-UYAOXDASSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001267887743 1099859353 /nfs/dbraw/zinc/85/93/53/1099859353.db2.gz QALOKHIHROWSAY-OAHLLOKOSA-N 2 0 326.444 2.971 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001482369287 1099873897 /nfs/dbraw/zinc/87/38/97/1099873897.db2.gz 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ZINC001482503663 1102426214 /nfs/dbraw/zinc/42/62/14/1102426214.db2.gz BGMCYVJSXCXPKL-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001482508498 1102454215 /nfs/dbraw/zinc/45/42/15/1102454215.db2.gz ZMKFUYFAWXXSFC-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001271736162 1102540329 /nfs/dbraw/zinc/54/03/29/1102540329.db2.gz DVNJZJARAQRLJU-REPLKXPHSA-N 2 0 345.531 2.940 10 30 EFEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001271750555 1102592247 /nfs/dbraw/zinc/59/22/47/1102592247.db2.gz SFTBOZALEJIRAP-RDGPPVDQSA-N 2 0 333.520 2.652 10 30 EFEERP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001271751222 1102593972 /nfs/dbraw/zinc/59/39/72/1102593972.db2.gz YLLAWHBBDZNZON-REPLKXPHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001266913609 1102679794 /nfs/dbraw/zinc/67/97/94/1102679794.db2.gz MAIANDGEIXRYOH-UHFFFAOYSA-N 2 0 343.515 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001670512820 1102768017 /nfs/dbraw/zinc/76/80/17/1102768017.db2.gz QOHBFFWRAGCREY-RTBURBONSA-N 2 0 333.520 2.844 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001271819767 1102797919 /nfs/dbraw/zinc/79/79/19/1102797919.db2.gz UDIZQQNQWRPEGL-WOJBJXKFSA-N 2 0 341.499 2.808 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001670523404 1102799613 /nfs/dbraw/zinc/79/96/13/1102799613.db2.gz XGMLRYQVIZOXLE-LPHOPBHVSA-N 2 0 339.499 2.650 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001271853851 1102916427 /nfs/dbraw/zinc/91/64/27/1102916427.db2.gz NZZGETMABQHZHD-HSALFYBXSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001271853852 1102917223 /nfs/dbraw/zinc/91/72/23/1102917223.db2.gz NZZGETMABQHZHD-ZCNNSNEGSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001660780914 1102972764 /nfs/dbraw/zinc/97/27/64/1102972764.db2.gz ZMNJQLCUOSCUHA-QGZVFWFLSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001660780912 1102973162 /nfs/dbraw/zinc/97/31/62/1102973162.db2.gz ZMNJQLCUOSCUHA-KRWDZBQOSA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001661086815 1103123148 /nfs/dbraw/zinc/12/31/48/1103123148.db2.gz LHCRKENHBYPPSP-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001661213599 1103179577 /nfs/dbraw/zinc/17/95/77/1103179577.db2.gz VEKNKLXKXIKVJM-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001661221656 1103186260 /nfs/dbraw/zinc/18/62/60/1103186260.db2.gz ZNYJQUGHKYBBLH-GOSISDBHSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001661221657 1103187404 /nfs/dbraw/zinc/18/74/04/1103187404.db2.gz ZNYJQUGHKYBBLH-SFHVURJKSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001661235258 1103194758 /nfs/dbraw/zinc/19/47/58/1103194758.db2.gz GMEGJMDUTTYADA-LJQANCHMSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001661339322 1103236420 /nfs/dbraw/zinc/23/64/20/1103236420.db2.gz ZPYUIWZRSDSOGO-PKOBYXMFSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001661339321 1103236748 /nfs/dbraw/zinc/23/67/48/1103236748.db2.gz ZPYUIWZRSDSOGO-HKUYNNGSSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001661752508 1103408481 /nfs/dbraw/zinc/40/84/81/1103408481.db2.gz KSIHGJCVRKPNHQ-IBGZPJMESA-N 2 0 347.547 2.596 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCCCC)C2)CC1 ZINC001661841842 1103457491 /nfs/dbraw/zinc/45/74/91/1103457491.db2.gz GPARGIHQZUFMHR-IBGZPJMESA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661841437 1103457546 /nfs/dbraw/zinc/45/75/46/1103457546.db2.gz AJVJTCXSLHYTND-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001661842423 1103459283 /nfs/dbraw/zinc/45/92/83/1103459283.db2.gz OLGFKQADJNHZHK-UEKDZROGSA-N 2 0 345.531 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CCCCCC2)CC1 ZINC001483421460 1103674543 /nfs/dbraw/zinc/67/45/43/1103674543.db2.gz QAUNEVMOYBNQOW-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001482571367 1103693774 /nfs/dbraw/zinc/69/37/74/1103693774.db2.gz LNVGXPDKTMXXIO-SJORKVTESA-N 2 0 343.943 2.980 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCCCC)C2)CC1 ZINC001662797000 1103821612 /nfs/dbraw/zinc/82/16/12/1103821612.db2.gz KIZUNCHMMSTYGC-PMACEKPBSA-N 2 0 347.547 2.929 10 30 EFEERP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001662844003 1103851263 /nfs/dbraw/zinc/85/12/63/1103851263.db2.gz AFXINMOVISPUHF-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001662844004 1103853006 /nfs/dbraw/zinc/85/30/06/1103853006.db2.gz AFXINMOVISPUHF-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C[C@H](CCNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001662966291 1103912244 /nfs/dbraw/zinc/91/22/44/1103912244.db2.gz SZMXTCXSNPROGW-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001663013905 1103922145 /nfs/dbraw/zinc/92/21/45/1103922145.db2.gz HTJXODBAUPOSLJ-GOSISDBHSA-N 2 0 347.547 2.786 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001663067835 1103958194 /nfs/dbraw/zinc/95/81/94/1103958194.db2.gz YKBVZUNFXKYZQX-KRWDZBQOSA-N 2 0 347.528 2.807 10 30 EFEERP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001272034313 1104079253 /nfs/dbraw/zinc/07/92/53/1104079253.db2.gz NTBWPMDXGGLDHL-OALUTQOASA-N 2 0 333.520 2.892 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001483614981 1104079710 /nfs/dbraw/zinc/07/97/10/1104079710.db2.gz JTCCVXUJFLCNQQ-RDJZCZTQSA-N 2 0 347.528 2.663 10 30 EFEERP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001272044763 1104278951 /nfs/dbraw/zinc/27/89/51/1104278951.db2.gz SDRNBSQMSVBMPG-RTBURBONSA-N 2 0 333.520 2.587 10 30 EFEERP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001272044759 1104279400 /nfs/dbraw/zinc/27/94/00/1104279400.db2.gz SDRNBSQMSVBMPG-OALUTQOASA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001664185718 1104309230 /nfs/dbraw/zinc/30/92/30/1104309230.db2.gz ABQMEZVCKCTICZ-QAPCUYQASA-N 2 0 327.488 2.602 10 30 EFEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccccc1 ZINC001664598468 1104467786 /nfs/dbraw/zinc/46/77/86/1104467786.db2.gz LGNXQNDUCZLSRT-CTNGQTDRSA-N 2 0 341.499 2.886 10 30 EFEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664679045 1104498904 /nfs/dbraw/zinc/49/89/04/1104498904.db2.gz SMRYLYQWRYGTDE-VQIMIIECSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001664750208 1104535607 /nfs/dbraw/zinc/53/56/07/1104535607.db2.gz HYFWNDJYMFLNRA-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664817226 1104562635 /nfs/dbraw/zinc/56/26/35/1104562635.db2.gz CYGXADNHBIINDA-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001664830569 1104568295 /nfs/dbraw/zinc/56/82/95/1104568295.db2.gz VWWNMKHSNKYLCQ-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001664873766 1104587185 /nfs/dbraw/zinc/58/71/85/1104587185.db2.gz KTLGIDWEXBFLMG-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001664876495 1104590522 /nfs/dbraw/zinc/59/05/22/1104590522.db2.gz YEWBAJQRXIKAQY-YLJYHZDGSA-N 2 0 347.547 2.853 10 30 EFEERP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001665844389 1104793062 /nfs/dbraw/zinc/79/30/62/1104793062.db2.gz JANKTNMKKFZKSD-CRAIPNDOSA-N 2 0 327.488 2.650 10 30 EFEERP C#CC[NH2+]C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC[C@H]1C ZINC001666058352 1104843913 /nfs/dbraw/zinc/84/39/13/1104843913.db2.gz YMQIZTMXBCJAIO-FOIQADDNSA-N 2 0 338.455 2.544 10 30 EFEERP C#CC[NH2+]C[C@@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@@H]1C ZINC001666067021 1104847994 /nfs/dbraw/zinc/84/79/94/1104847994.db2.gz BFMJCZQYAQFEMW-UWJYYQICSA-N 2 0 341.499 2.650 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001666249751 1104911558 /nfs/dbraw/zinc/91/15/58/1104911558.db2.gz UDHNNCIWCSKLFH-MOPGFXCFSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001666256727 1104913186 /nfs/dbraw/zinc/91/31/86/1104913186.db2.gz XAHZSUMCRHREAD-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC001666389979 1104938347 /nfs/dbraw/zinc/93/83/47/1104938347.db2.gz STCLDDFGWOFEKR-GOSISDBHSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001666796214 1104998278 /nfs/dbraw/zinc/99/82/78/1104998278.db2.gz PGLZZYSAPLYFHU-MSOLQXFVSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001666828919 1105003717 /nfs/dbraw/zinc/00/37/17/1105003717.db2.gz CWCWTTYZRFMYPF-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001666834440 1105004337 /nfs/dbraw/zinc/00/43/37/1105004337.db2.gz IFKNPMHVPOQJFT-MOPGFXCFSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001666834441 1105005084 /nfs/dbraw/zinc/00/50/84/1105005084.db2.gz IFKNPMHVPOQJFT-OALUTQOASA-N 2 0 345.531 2.894 10 30 EFEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001667100842 1105051643 /nfs/dbraw/zinc/05/16/43/1105051643.db2.gz HRLQQAHJYFDTSJ-AZUAARDMSA-N 2 0 347.547 2.927 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001667140638 1105061121 /nfs/dbraw/zinc/06/11/21/1105061121.db2.gz XHIBOMCZWURNPK-GOSISDBHSA-N 2 0 333.520 2.846 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001667145170 1105062611 /nfs/dbraw/zinc/06/26/11/1105062611.db2.gz YVYCLFCUDKJPDS-ICSRJNTNSA-N 2 0 347.547 2.929 10 30 EFEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667393063 1105137763 /nfs/dbraw/zinc/13/77/63/1105137763.db2.gz HKLKYDNETSXTNE-APWZRJJASA-N 2 0 333.520 2.511 10 30 EFEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667393064 1105137856 /nfs/dbraw/zinc/13/78/56/1105137856.db2.gz HKLKYDNETSXTNE-LPHOPBHVSA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CC=C(C)C)CC1 ZINC001667400897 1105140700 /nfs/dbraw/zinc/14/07/00/1105140700.db2.gz PHQFJKDEIQFQAQ-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC2CCC(C)CC2)CC1 ZINC001668652590 1105341628 /nfs/dbraw/zinc/34/16/28/1105341628.db2.gz RBRGPOPHBOXFQU-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC2=CCCCC2)CC1 ZINC001272179199 1105522595 /nfs/dbraw/zinc/52/25/95/1105522595.db2.gz ZVAQEVHIFGJIBH-UHFFFAOYSA-N 2 0 345.531 2.612 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669974189 1105560802 /nfs/dbraw/zinc/56/08/02/1105560802.db2.gz RHBGKEVJRZWOAG-OALUTQOASA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001670250023 1105604662 /nfs/dbraw/zinc/60/46/62/1105604662.db2.gz RAIJJHPCGMWUHH-LPHOPBHVSA-N 2 0 341.515 2.992 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671491581 1105644893 /nfs/dbraw/zinc/64/48/93/1105644893.db2.gz DRFMKSZPXLSIPE-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001671507505 1105648104 /nfs/dbraw/zinc/64/81/04/1105648104.db2.gz CNFYLSYGLXVRDX-UHFFFAOYSA-N 2 0 333.520 2.587 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001671512113 1105648598 /nfs/dbraw/zinc/64/85/98/1105648598.db2.gz APJGZFBONBDZRT-SFTDATJTSA-N 2 0 349.478 2.704 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001671598529 1105666899 /nfs/dbraw/zinc/66/68/99/1105666899.db2.gz MURZCQXHDCUWJW-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001671775762 1105700776 /nfs/dbraw/zinc/70/07/76/1105700776.db2.gz WVTOHHSCMAGWJJ-AZUAARDMSA-N 2 0 335.536 2.903 10 30 EFEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001671916149 1105729944 /nfs/dbraw/zinc/72/99/44/1105729944.db2.gz FRRPQDVMHFDYCR-CTNGQTDRSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001671916078 1105730342 /nfs/dbraw/zinc/73/03/42/1105730342.db2.gz DYSXMNAXHKXXPW-PMACEKPBSA-N 2 0 333.520 2.657 10 30 EFEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001671917285 1105731028 /nfs/dbraw/zinc/73/10/28/1105731028.db2.gz ZFZAVQLIMDIECQ-NRFANRHFSA-N 2 0 341.499 2.603 10 30 EFEERP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001672171449 1105765442 /nfs/dbraw/zinc/76/54/42/1105765442.db2.gz PKOMFFIFSBSXOG-IBGZPJMESA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001672183797 1105768064 /nfs/dbraw/zinc/76/80/64/1105768064.db2.gz QYZXBMCOTGKFBJ-AZUAARDMSA-N 2 0 343.515 2.914 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001672183798 1105768268 /nfs/dbraw/zinc/76/82/68/1105768268.db2.gz QYZXBMCOTGKFBJ-ICSRJNTNSA-N 2 0 343.515 2.914 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001672215601 1105777469 /nfs/dbraw/zinc/77/74/69/1105777469.db2.gz LVGYIZXWJXSVDN-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001672356441 1105811258 /nfs/dbraw/zinc/81/12/58/1105811258.db2.gz VBLMTPAZPHJQES-REPLKXPHSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001672356138 1105811556 /nfs/dbraw/zinc/81/15/56/1105811556.db2.gz OHCZPZJKFUNGRO-HAGHYFMRSA-N 2 0 345.531 2.633 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001672369448 1105814638 /nfs/dbraw/zinc/81/46/38/1105814638.db2.gz VKWGDGDVXLSTJP-IYARVYRRSA-N 2 0 333.520 2.561 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001672538599 1105865458 /nfs/dbraw/zinc/86/54/58/1105865458.db2.gz SZYDVQNUJSGFRH-RBUKOAKNSA-N 2 0 333.520 2.750 10 30 EFEERP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001672539070 1105866698 /nfs/dbraw/zinc/86/66/98/1105866698.db2.gz WHRRFMCPIBCZHQ-RTBURBONSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001673213867 1105985619 /nfs/dbraw/zinc/98/56/19/1105985619.db2.gz BNBPHJMDXJNCBY-MOPGFXCFSA-N 2 0 341.499 2.536 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001673496139 1106033631 /nfs/dbraw/zinc/03/36/31/1106033631.db2.gz HMPBSMNBXHFNCE-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001673769417 1106085044 /nfs/dbraw/zinc/08/50/44/1106085044.db2.gz JGEZYUXSELNAAM-IRXDYDNUSA-N 2 0 339.483 2.515 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001674029085 1106126941 /nfs/dbraw/zinc/12/69/41/1106126941.db2.gz PFWUMHPOJYUAAY-WMZOPIPTSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001674033026 1106128083 /nfs/dbraw/zinc/12/80/83/1106128083.db2.gz DTTMOXSMCRZEBX-OALUTQOASA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001674343295 1106173604 /nfs/dbraw/zinc/17/36/04/1106173604.db2.gz QTNKUMRBCPRLKC-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001674354241 1106177248 /nfs/dbraw/zinc/17/72/48/1106177248.db2.gz ZICUUPNFQJIQDX-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001674429807 1106187662 /nfs/dbraw/zinc/18/76/62/1106187662.db2.gz XCBVPWHFXTZSQK-VAMGGRTRSA-N 2 0 341.499 2.809 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001674479893 1106201153 /nfs/dbraw/zinc/20/11/53/1106201153.db2.gz ACWBBHCWGQVMOO-HXUWFJFHSA-N 2 0 343.515 2.903 10 30 EFEERP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001674510619 1106211505 /nfs/dbraw/zinc/21/15/05/1106211505.db2.gz SLVZHTAFANVEMY-IBGZPJMESA-N 2 0 347.547 2.855 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001674780541 1106255551 /nfs/dbraw/zinc/25/55/51/1106255551.db2.gz NEESYWLMUQOFLX-HZPDHXFCSA-N 2 0 349.906 2.515 10 30 EFEERP CC#CC[NH2+]C1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001674812754 1106261779 /nfs/dbraw/zinc/26/17/79/1106261779.db2.gz WGSVAXIPTNFJFU-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001674832311 1106263884 /nfs/dbraw/zinc/26/38/84/1106263884.db2.gz PAKRYHFOGQQNCW-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001675481414 1106370663 /nfs/dbraw/zinc/37/06/63/1106370663.db2.gz YXIQRSCJHUBBIU-QGZVFWFLSA-N 2 0 335.536 2.879 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001675636964 1106401860 /nfs/dbraw/zinc/40/18/60/1106401860.db2.gz YBPGUHFKUOYGGO-KSZLIROESA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001675692414 1106411120 /nfs/dbraw/zinc/41/11/20/1106411120.db2.gz FSPLUBDGUCKEJQ-RLLQIKCJSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675793029 1106423650 /nfs/dbraw/zinc/42/36/50/1106423650.db2.gz VZDMUVGNWILHOF-GPMSIDNRSA-N 2 0 339.499 2.650 10 30 EFEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001675899943 1106442061 /nfs/dbraw/zinc/44/20/61/1106442061.db2.gz YTWNLGBZDLNBIL-ROUUACIJSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001675986106 1106461447 /nfs/dbraw/zinc/46/14/47/1106461447.db2.gz MTGIEGLJPNMPTM-CVEARBPZSA-N 2 0 329.916 2.878 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001675986108 1106461475 /nfs/dbraw/zinc/46/14/75/1106461475.db2.gz MTGIEGLJPNMPTM-HZPDHXFCSA-N 2 0 329.916 2.878 10 30 EFEERP C#CCC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001676143688 1106490804 /nfs/dbraw/zinc/49/08/04/1106490804.db2.gz CXQJEEUDOKKZJK-VQTJNVASSA-N 2 0 341.499 2.721 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001676837693 1106599071 /nfs/dbraw/zinc/59/90/71/1106599071.db2.gz LSCDEQWHJRRKTD-FGTMMUONSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001676837696 1106599191 /nfs/dbraw/zinc/59/91/91/1106599191.db2.gz LSCDEQWHJRRKTD-RCCFBDPRSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001676965023 1106637445 /nfs/dbraw/zinc/63/74/45/1106637445.db2.gz JJPIYHSPQHHONE-IEBWSBKVSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C ZINC001677043689 1106655877 /nfs/dbraw/zinc/65/58/77/1106655877.db2.gz TVOQGWXKDXGWBW-SFHVURJKSA-N 2 0 345.487 2.585 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001677307264 1106695414 /nfs/dbraw/zinc/69/54/14/1106695414.db2.gz ZKSZFZPOJAYFHX-QZTJIDSGSA-N 2 0 335.536 2.641 10 30 EFEERP C=CCC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001677467904 1106722940 /nfs/dbraw/zinc/72/29/40/1106722940.db2.gz URKPPSCAFWRSJA-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001272565864 1108673754 /nfs/dbraw/zinc/67/37/54/1108673754.db2.gz PIFCSBNZROWBCU-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001483806941 1112475023 /nfs/dbraw/zinc/47/50/23/1112475023.db2.gz SPODLCLEIKGDKF-IHWFROFDSA-N 2 0 345.531 2.778 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001483816518 1112485297 /nfs/dbraw/zinc/48/52/97/1112485297.db2.gz DIUOTUGSKMSQFB-WOJBJXKFSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483833615 1112494363 /nfs/dbraw/zinc/49/43/63/1112494363.db2.gz MHDQLDWLZKMTQR-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001483844910 1112503024 /nfs/dbraw/zinc/50/30/24/1112503024.db2.gz CUCKHDMADOKYHB-FQEVSTJZSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)N(C)C ZINC001483959295 1112589605 /nfs/dbraw/zinc/58/96/05/1112589605.db2.gz PXZPQXCQHFUOMH-OALUTQOASA-N 2 0 329.488 2.836 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](CCCC)CC1 ZINC001483983532 1112628584 /nfs/dbraw/zinc/62/85/84/1112628584.db2.gz FCWPOOUCSBGYEP-AZUAARDMSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC/C=C\CC)CC1 ZINC001483987010 1112632166 /nfs/dbraw/zinc/63/21/66/1112632166.db2.gz AWUDPQLYRJWMGD-VJIACCKLSA-N 2 0 333.520 2.609 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCC1 ZINC001484003361 1112654032 /nfs/dbraw/zinc/65/40/32/1112654032.db2.gz SZBICHWXXIEHFN-SFHVURJKSA-N 2 0 326.444 2.707 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001484021111 1112673738 /nfs/dbraw/zinc/67/37/38/1112673738.db2.gz YCTXROCCQXDNPZ-QUCCMNQESA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001484021107 1112673763 /nfs/dbraw/zinc/67/37/63/1112673763.db2.gz YCTXROCCQXDNPZ-AZUAARDMSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484198222 1112918350 /nfs/dbraw/zinc/91/83/50/1112918350.db2.gz QKHIEPMNJQCARW-MRXNPFEDSA-N 2 0 343.462 2.512 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001484552046 1113004867 /nfs/dbraw/zinc/00/48/67/1113004867.db2.gz UVEACRHQGOGWPD-QGZVFWFLSA-N 2 0 329.488 2.766 10 30 EFEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001484553447 1113005625 /nfs/dbraw/zinc/00/56/25/1113005625.db2.gz FHFUERCEFVTYSO-FQEVSTJZSA-N 2 0 341.499 2.632 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001484581090 1113034331 /nfs/dbraw/zinc/03/43/31/1113034331.db2.gz DAEYRUZUBPHEJW-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001484813086 1113138723 /nfs/dbraw/zinc/13/87/23/1113138723.db2.gz MNANTYMOXASFPL-UHFFFAOYSA-N 2 0 333.520 2.942 10 30 EFEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001484813514 1113139254 /nfs/dbraw/zinc/13/92/54/1113139254.db2.gz QUTZRDXDSBWQHI-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484820765 1117754986 /nfs/dbraw/zinc/75/49/86/1117754986.db2.gz FIMLDLGGGVUUPY-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001484917463 1117817340 /nfs/dbraw/zinc/81/73/40/1117817340.db2.gz HKIUJBJQTKQDDO-GOSISDBHSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001484924172 1117840207 /nfs/dbraw/zinc/84/02/07/1117840207.db2.gz KEBAYRWWJVUBAU-INIZCTEOSA-N 2 0 341.927 2.974 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001484939886 1117855866 /nfs/dbraw/zinc/85/58/66/1117855866.db2.gz GFOWGQNMYXZHSH-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001485029193 1117954311 /nfs/dbraw/zinc/95/43/11/1117954311.db2.gz KHWFGTITDHXNLD-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001485043935 1117962896 /nfs/dbraw/zinc/96/28/96/1117962896.db2.gz IJSSVHZEYSLZKY-WOJBJXKFSA-N 2 0 341.499 2.666 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001485066953 1117989578 /nfs/dbraw/zinc/98/95/78/1117989578.db2.gz FFGGMADUIIAHPM-PMACEKPBSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001485085299 1118024482 /nfs/dbraw/zinc/02/44/82/1118024482.db2.gz ZQVZJVLJUXTQHX-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001485085768 1118025397 /nfs/dbraw/zinc/02/53/97/1118025397.db2.gz WKMXUMHWCOXBAU-PMACEKPBSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230729 1118156368 /nfs/dbraw/zinc/15/63/68/1118156368.db2.gz XIZYVDKLNDLNGZ-QZTJIDSGSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001485253243 1118168781 /nfs/dbraw/zinc/16/87/81/1118168781.db2.gz DUNGWIMKXCKVDL-JKSUJKDBSA-N 2 0 341.927 2.830 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C)CC1 ZINC001485387829 1118327797 /nfs/dbraw/zinc/32/77/97/1118327797.db2.gz IXTNFEGEWYAYRF-QGZVFWFLSA-N 2 0 335.536 2.594 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001485653962 1118501113 /nfs/dbraw/zinc/50/11/13/1118501113.db2.gz OXEGSJIMNKUGIY-RCCFBDPRSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001485664679 1118513105 /nfs/dbraw/zinc/51/31/05/1118513105.db2.gz ZOKFVFKTLWKLFO-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001485758090 1118562419 /nfs/dbraw/zinc/56/24/19/1118562419.db2.gz ADAOUVADLFNUCM-IBGZPJMESA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800533 1118633948 /nfs/dbraw/zinc/63/39/48/1118633948.db2.gz BZVSKDHTPKZNES-MOPGFXCFSA-N 2 0 345.531 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237445 1118695713 /nfs/dbraw/zinc/69/57/13/1118695713.db2.gz NMKGULZRIKQHSZ-IEBWSBKVSA-N 2 0 347.547 2.594 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)CC)CC2(C)C)CC1 ZINC000941237446 1118695813 /nfs/dbraw/zinc/69/58/13/1118695813.db2.gz NMKGULZRIKQHSZ-MJGOQNOKSA-N 2 0 347.547 2.594 10 30 EFEERP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N(C)Cc1csc(C)n1 ZINC000261831835 240326060 /nfs/dbraw/zinc/32/60/60/240326060.db2.gz VMNNAVUNSIDAKL-KGLIPLIRSA-N 2 0 337.537 2.722 10 30 EFEERP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000262015783 240338528 /nfs/dbraw/zinc/33/85/28/240338528.db2.gz XRKDAMBYCSPRSR-DLBZAZTESA-N 2 0 344.503 2.794 10 30 EFEERP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262009059 240339881 /nfs/dbraw/zinc/33/98/81/240339881.db2.gz WDWPJKJCWXPHON-IUODEOHRSA-N 2 0 349.548 2.723 10 30 EFEERP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NCC[NH+]1CCCCC1 ZINC000329005270 241284885 /nfs/dbraw/zinc/28/48/85/241284885.db2.gz MNPOJRZCHVMZJQ-XHSDSOJGSA-N 2 0 338.496 2.504 10 30 EFEERP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674640 244285119 /nfs/dbraw/zinc/28/51/19/244285119.db2.gz DYJKJIHSHGHQEF-CYBMUJFWSA-N 2 0 341.908 2.587 10 30 EFEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cn2)CC1 ZINC000344104168 145369676 /nfs/dbraw/zinc/36/96/76/145369676.db2.gz IHKVONHZOBLDGK-QGZVFWFLSA-N 2 0 349.482 2.946 10 30 EFEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(C#N)c3)cn2)CC1 ZINC000344124977 145373759 /nfs/dbraw/zinc/37/37/59/145373759.db2.gz OSLULMBYKHBXQZ-QGZVFWFLSA-N 2 0 349.482 2.946 10 30 EFEERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(CC#N)CC2)CC1 ZINC000430019497 277113244 /nfs/dbraw/zinc/11/32/44/277113244.db2.gz FRHIYAJCIJJBAG-UHFFFAOYSA-N 2 0 332.879 2.875 10 30 EFEERP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093444 277797179 /nfs/dbraw/zinc/79/71/79/277797179.db2.gz HMAQWSUUYXENAT-BEKAIBRUSA-N 2 0 328.456 2.813 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000562959990 318719452 /nfs/dbraw/zinc/71/94/52/318719452.db2.gz DKOXSWLSTBGTIM-OPQOLIRYSA-N 2 0 328.460 2.893 10 30 EFEERP C=CCCC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059375 472791102 /nfs/dbraw/zinc/79/11/02/472791102.db2.gz WIRAUPRMJGVFRQ-HKUYNNGSSA-N 2 0 329.488 2.664 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107848187 472987444 /nfs/dbraw/zinc/98/74/44/472987444.db2.gz PHHBGYVWQKFXJY-LJQANCHMSA-N 2 0 348.535 2.687 10 30 EFEERP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123313560 473126014 /nfs/dbraw/zinc/12/60/14/473126014.db2.gz UBXYLLYROVYFKU-MRXNPFEDSA-N 2 0 325.460 2.808 10 30 EFEERP C(#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777445 480042951 /nfs/dbraw/zinc/04/29/51/480042951.db2.gz FGDYWEFRVOAXSM-BDXSIMOUSA-N 2 0 336.570 2.930 10 30 EFEERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246069 474097954 /nfs/dbraw/zinc/09/79/54/474097954.db2.gz UEAYLVMWUDOZOI-LRDDRELGSA-N 2 0 348.516 2.837 10 30 EFEERP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000271072900 474397094 /nfs/dbraw/zinc/39/70/94/474397094.db2.gz MQJVSPIQDLIPBY-PELRDEGISA-N 2 0 340.515 2.616 10 30 EFEERP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cncc(F)c1)c1cncc(F)c1 ZINC000341908029 475402130 /nfs/dbraw/zinc/40/21/30/475402130.db2.gz IUFBUJLRBXEKAS-KBPBESRZSA-N 2 0 330.382 2.760 10 30 EFEERP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000352811725 475645597 /nfs/dbraw/zinc/64/55/97/475645597.db2.gz VWUPXPKHXKLDDA-LJQANCHMSA-N 2 0 327.472 2.549 10 30 EFEERP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000358556663 475768612 /nfs/dbraw/zinc/76/86/12/475768612.db2.gz NBNHZVSVXYWSIG-DNVCBOLYSA-N 2 0 332.467 2.620 10 30 EFEERP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000358556665 475768830 /nfs/dbraw/zinc/76/88/30/475768830.db2.gz NBNHZVSVXYWSIG-HNAYVOBHSA-N 2 0 332.467 2.620 10 30 EFEERP C=CCOc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415045471 476907514 /nfs/dbraw/zinc/90/75/14/476907514.db2.gz BSTJVRINFGATEN-UHFFFAOYSA-N 2 0 329.488 2.557 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415121918 476907812 /nfs/dbraw/zinc/90/78/12/476907812.db2.gz HTMKMYJUGZWOTC-QUCCMNQESA-N 2 0 330.472 2.970 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415128556 476908789 /nfs/dbraw/zinc/90/87/89/476908789.db2.gz SHQBAPZCEUYEFI-AZUAARDMSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000415126811 476909981 /nfs/dbraw/zinc/90/99/81/476909981.db2.gz MKAWTKCZDCKAFQ-WOJBJXKFSA-N 2 0 330.472 2.970 10 30 EFEERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000423503164 477051684 /nfs/dbraw/zinc/05/16/84/477051684.db2.gz FLIUDLMQGMSLFN-NNGSBXSVSA-N 2 0 330.451 2.564 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247939 477879692 /nfs/dbraw/zinc/87/96/92/477879692.db2.gz DXYRQXOFQMZZJI-IBGZPJMESA-N 2 0 330.472 2.842 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000516861384 477998020 /nfs/dbraw/zinc/99/80/20/477998020.db2.gz ASNDGUCLNLPBIS-AGERRDQYSA-N 2 0 328.460 2.750 10 30 EFEERP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594437062 478386570 /nfs/dbraw/zinc/38/65/70/478386570.db2.gz HWGCDTMGPJODPJ-RDJZCZTQSA-N 2 0 330.476 2.643 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000594438010 478386661 /nfs/dbraw/zinc/38/66/61/478386661.db2.gz QUJVQWKXTXXUPX-SFHVURJKSA-N 2 0 328.460 2.675 10 30 EFEERP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1cccs1 ZINC000594437713 478386755 /nfs/dbraw/zinc/38/67/55/478386755.db2.gz DPULPPQVHIZGCI-HLLBOEOZSA-N 2 0 348.516 2.658 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000594436881 478386952 /nfs/dbraw/zinc/38/69/52/478386952.db2.gz GLTJMYATICVARV-KRWDZBQOSA-N 2 0 346.500 2.585 10 30 EFEERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439212 478388693 /nfs/dbraw/zinc/38/86/93/478388693.db2.gz UEGPIILUIDEIJD-APWZRJJASA-N 2 0 342.487 2.739 10 30 EFEERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439086 478388865 /nfs/dbraw/zinc/38/88/65/478388865.db2.gz SGNYBJUYBSHFSN-FGTMMUONSA-N 2 0 334.508 2.511 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000594441096 478390351 /nfs/dbraw/zinc/39/03/51/478390351.db2.gz MNUCOJYJDGAFDV-LJQANCHMSA-N 2 0 342.487 2.700 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000594441142 478390703 /nfs/dbraw/zinc/39/07/03/478390703.db2.gz NQYQMIJABRYAQP-LJQANCHMSA-N 2 0 342.487 2.700 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000594441937 478391347 /nfs/dbraw/zinc/39/13/47/478391347.db2.gz YWNDYAQFPXPPCH-RBUKOAKNSA-N 2 0 342.487 2.741 10 30 EFEERP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000594498667 478412612 /nfs/dbraw/zinc/41/26/12/478412612.db2.gz SNYADQDDTUFQPA-VQTJNVASSA-N 2 0 341.499 2.955 10 30 EFEERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000594499948 478414068 /nfs/dbraw/zinc/41/40/68/478414068.db2.gz FUEQBTNHGRFHOB-LJQANCHMSA-N 2 0 340.515 2.746 10 30 EFEERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594500284 478414855 /nfs/dbraw/zinc/41/48/55/478414855.db2.gz MBONZIHQLJXGPP-KRWDZBQOSA-N 2 0 328.504 2.603 10 30 EFEERP C[C@H]1CN(CC#Cc2ccccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490987779 478420356 /nfs/dbraw/zinc/42/03/56/478420356.db2.gz MWCIYUMXICAVLM-PXNSSMCTSA-N 2 0 345.918 2.649 10 30 EFEERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594518083 478423151 /nfs/dbraw/zinc/42/31/51/478423151.db2.gz CAHIRWORQNDXHS-UWUNEBHHSA-N 2 0 337.471 2.894 10 30 EFEERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000594996747 478621893 /nfs/dbraw/zinc/62/18/93/478621893.db2.gz YZHYMMVRVIHGHQ-GOSISDBHSA-N 2 0 340.496 2.526 10 30 EFEERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1 ZINC000595067645 478649339 /nfs/dbraw/zinc/64/93/39/478649339.db2.gz HQNSROQLRZARFQ-IIBYNOLFSA-N 2 0 335.451 2.976 10 30 EFEERP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000595066868 478649846 /nfs/dbraw/zinc/64/98/46/478649846.db2.gz FXCHJHUOGIHWGG-UNMCSNQZSA-N 2 0 347.462 2.902 10 30 EFEERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069883 478650882 /nfs/dbraw/zinc/65/08/82/478650882.db2.gz LWKJMWLAYUOZDB-IIBYNOLFSA-N 2 0 335.451 2.976 10 30 EFEERP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000565045343 478896104 /nfs/dbraw/zinc/89/61/04/478896104.db2.gz YNRKTRSWFKKJKU-GUYCJALGSA-N 2 0 325.372 2.746 10 30 EFEERP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000565045344 478897356 /nfs/dbraw/zinc/89/73/56/478897356.db2.gz YNRKTRSWFKKJKU-SUMWQHHRSA-N 2 0 325.372 2.746 10 30 EFEERP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599365528 479270188 /nfs/dbraw/zinc/27/01/88/479270188.db2.gz FATKXACTFPMNOW-UHOSZYNNSA-N 2 0 327.472 2.541 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599372388 479274231 /nfs/dbraw/zinc/27/42/31/479274231.db2.gz IZTCOSBIWMFIES-NZSAHSFTSA-N 2 0 327.472 2.541 10 30 EFEERP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611236364 479318843 /nfs/dbraw/zinc/31/88/43/479318843.db2.gz FESONPXHTBNMJJ-UHFFFAOYSA-N 2 0 330.476 2.524 10 30 EFEERP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874442 481506563 /nfs/dbraw/zinc/50/65/63/481506563.db2.gz GXHGSWHEOATZOU-JVSBHGNQSA-N 2 0 336.520 2.864 10 30 EFEERP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000662089728 481542845 /nfs/dbraw/zinc/54/28/45/481542845.db2.gz DILLOMFFKOHSIX-OTWHNJEPSA-N 2 0 327.472 2.589 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662662151 481921303 /nfs/dbraw/zinc/92/13/03/481921303.db2.gz AQJKQBWOKOFOEU-ICSRJNTNSA-N 2 0 329.488 2.666 10 30 EFEERP C=CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000662668850 481924575 /nfs/dbraw/zinc/92/45/75/481924575.db2.gz KSLWQVPYDFUSAS-HXUWFJFHSA-N 2 0 327.472 2.597 10 30 EFEERP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000651743568 481928964 /nfs/dbraw/zinc/92/89/64/481928964.db2.gz ZUGMGBPKQNRTIC-RLLQIKCJSA-N 2 0 343.515 2.610 10 30 EFEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000651752486 481933354 /nfs/dbraw/zinc/93/33/54/481933354.db2.gz IHQLQNZWTQYJKS-APWZRJJASA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662700382 481940835 /nfs/dbraw/zinc/94/08/35/481940835.db2.gz IATMKJNFSWMUAZ-CTNGQTDRSA-N 2 0 341.499 2.946 10 30 EFEERP C=CC[C@]1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662730613 481952413 /nfs/dbraw/zinc/95/24/13/481952413.db2.gz LADFKYIAUIVEKF-LJQANCHMSA-N 2 0 331.460 2.654 10 30 EFEERP C=CC[C@@]1(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729147 481952513 /nfs/dbraw/zinc/95/25/13/481952513.db2.gz KRSZZZLWELPHOH-FPOVZHCZSA-N 2 0 341.499 2.665 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000662746322 481958535 /nfs/dbraw/zinc/95/85/35/481958535.db2.gz SCDLVKFTELMHTI-HHXXYDBFSA-N 2 0 347.528 2.946 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662753837 481960006 /nfs/dbraw/zinc/96/00/06/481960006.db2.gz YDLIMXRBZOEUOA-FUHWJXTLSA-N 2 0 335.879 2.757 10 30 EFEERP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171649928 526542786 /nfs/dbraw/zinc/54/27/86/526542786.db2.gz DZNAOTFNFZZXRY-ZWKOTPCHSA-N 2 0 344.503 2.937 10 30 EFEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262531486 535548900 /nfs/dbraw/zinc/54/89/00/535548900.db2.gz NUTUNYUSVXMYMV-JMSVASOKSA-N 2 0 338.858 2.724 10 30 EFEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261983641 535549592 /nfs/dbraw/zinc/54/95/92/535549592.db2.gz JCJDDRHRJRZKGG-SNVBAGLBSA-N 2 0 335.304 2.944 10 30 EFEERP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247255442 536301932 /nfs/dbraw/zinc/30/19/32/536301932.db2.gz XJDNJSXKFBUICA-AZUAARDMSA-N 2 0 326.488 2.953 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691784644 1248664806 /nfs/dbraw/zinc/66/48/06/1248664806.db2.gz JSJVNSYHFOSNTK-RBUKOAKNSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691417533 1248761140 /nfs/dbraw/zinc/76/11/40/1248761140.db2.gz ZWGLBFDIHZLMBX-LJQANCHMSA-N 2 0 329.488 2.861 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691429096 1248881818 /nfs/dbraw/zinc/88/18/18/1248881818.db2.gz UYZMNIGYQGHDSI-QRQLOZEOSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791895 1249682261 /nfs/dbraw/zinc/68/22/61/1249682261.db2.gz JKMFLAIQJJOPAR-RTBURBONSA-N 2 0 329.488 2.742 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691057959 1248320106 /nfs/dbraw/zinc/32/01/06/1248320106.db2.gz FPPHMUZYIFGIMH-APWZRJJASA-N 2 0 339.499 2.698 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001691275002 1248585805 /nfs/dbraw/zinc/58/58/05/1248585805.db2.gz JHBRKZIEFSMJIO-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691276867 1248589546 /nfs/dbraw/zinc/58/95/46/1248589546.db2.gz GSAFELYREOZZRU-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000922333594 1265597476 /nfs/dbraw/zinc/59/74/76/1265597476.db2.gz SJIKJUVSNSFEHP-UHFFFAOYSA-N 2 0 326.469 2.661 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001691547836 1251761861 /nfs/dbraw/zinc/76/18/61/1251761861.db2.gz PRPUFTHTJRJGHS-QYZOEREBSA-N 2 0 333.520 2.607 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001691567023 1251778487 /nfs/dbraw/zinc/77/84/87/1251778487.db2.gz SODYNLPUBFFFBK-CEXWTWQISA-N 2 0 335.536 2.831 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001484397044 1252520163 /nfs/dbraw/zinc/52/01/63/1252520163.db2.gz YFEOCUKTLYEKPB-IYARVYRRSA-N 2 0 341.499 2.507 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001484399751 1252537777 /nfs/dbraw/zinc/53/77/77/1252537777.db2.gz VCGWAHBEXRRXOY-FQEVSTJZSA-N 2 0 341.499 2.501 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C\CC)CC2)CC1 ZINC001484727854 1252818967 /nfs/dbraw/zinc/81/89/67/1252818967.db2.gz HDFJXSGNGDZRBV-PRPIBZDOSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001484770239 1252937449 /nfs/dbraw/zinc/93/74/49/1252937449.db2.gz BBRYAMIDKNDSRM-PMACEKPBSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001484770338 1252937884 /nfs/dbraw/zinc/93/78/84/1252937884.db2.gz CKVJQMCRXVYDIQ-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001272755836 1257411534 /nfs/dbraw/zinc/41/15/34/1257411534.db2.gz KYHNREMUYLSRTI-LNLFQRSKSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001272763011 1257633510 /nfs/dbraw/zinc/63/35/10/1257633510.db2.gz KQHNVFOPNQFRTA-KESTWPANSA-N 2 0 343.515 2.855 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273027304 1266188314 /nfs/dbraw/zinc/18/83/14/1266188314.db2.gz RWKOYQXXWOQUPO-JQHSSLGASA-N 2 0 349.906 2.569 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670922562 1258673537 /nfs/dbraw/zinc/67/35/37/1258673537.db2.gz DGTNADZIEUSJSR-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001670933243 1258754066 /nfs/dbraw/zinc/75/40/66/1258754066.db2.gz RELXMGVTKCTUFX-JLYLLQBASA-N 2 0 333.520 2.939 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485921973 1262501704 /nfs/dbraw/zinc/50/17/04/1262501704.db2.gz FYKWQYMMKPCKKG-CRAIPNDOSA-N 2 0 327.488 2.602 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001486162498 1262723056 /nfs/dbraw/zinc/72/30/56/1262723056.db2.gz VXJZBLRGARYXQC-FGTMMUONSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001486167891 1262729002 /nfs/dbraw/zinc/72/90/02/1262729002.db2.gz UMXYLSSRFXWJNB-CEXWTWQISA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001486167893 1262729156 /nfs/dbraw/zinc/72/91/56/1262729156.db2.gz UMXYLSSRFXWJNB-GBESFXJTSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001486236233 1262832801 /nfs/dbraw/zinc/83/28/01/1262832801.db2.gz ONKFKBYZGVKBSM-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001486248970 1262853469 /nfs/dbraw/zinc/85/34/69/1262853469.db2.gz BYKHZTSSHYBXOX-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[N@@H+](C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001486373151 1262972786 /nfs/dbraw/zinc/97/27/86/1262972786.db2.gz PWAAPZISODZNDP-UHFFFAOYSA-N 2 0 335.536 2.691 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C(C)(C)C ZINC001486412816 1263037911 /nfs/dbraw/zinc/03/79/11/1263037911.db2.gz ZHMPENKQTDKNKI-SFHVURJKSA-N 2 0 331.504 2.711 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)(C)C ZINC001486422542 1263072697 /nfs/dbraw/zinc/07/26/97/1263072697.db2.gz BFZWZJDNAPCRLJ-GJZGRUSLSA-N 2 0 329.916 2.734 10 30 EFEERP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001486451016 1263144910 /nfs/dbraw/zinc/14/49/10/1263144910.db2.gz SLLGLIAXIHDYOF-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001486476604 1263203406 /nfs/dbraw/zinc/20/34/06/1263203406.db2.gz GJQFWGKPZHEGHP-RJYAGPCLSA-N 2 0 339.499 2.744 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCC2=CCCCC2)CC1 ZINC001273205390 1263220049 /nfs/dbraw/zinc/22/00/49/1263220049.db2.gz ZVAXCNNDXLFOPQ-GOSISDBHSA-N 2 0 345.531 2.707 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000921941029 1263622635 /nfs/dbraw/zinc/62/26/35/1263622635.db2.gz BWOFMLAQPRDVHZ-UHFFFAOYSA-N 2 0 338.455 2.800 10 30 EFEERP N#Cc1ccc(Br)c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000922138313 1264490751 /nfs/dbraw/zinc/49/07/51/1264490751.db2.gz JEPCOCWPCHGFIU-GFCCVEGCSA-N 2 0 331.217 2.691 10 30 EFEERP Cn1nc2c(c1C[NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CCC2 ZINC000922221407 1265020555 /nfs/dbraw/zinc/02/05/55/1265020555.db2.gz YXTOHBDDDRKYPQ-UHFFFAOYSA-N 2 0 349.482 2.535 10 30 EFEERP N#Cc1cccc(C[NH+]2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)c1 ZINC000581803650 1271778004 /nfs/dbraw/zinc/77/80/04/1271778004.db2.gz QBNVHUINMJFCPA-LJQANCHMSA-N 2 0 325.456 2.635 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001671075641 1279087400 /nfs/dbraw/zinc/08/74/00/1279087400.db2.gz VZKPOHKCYMGBGZ-QUCCMNQESA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1)C(C)C ZINC001144203869 1279259855 /nfs/dbraw/zinc/25/98/55/1279259855.db2.gz FNUQYPYKISOUAU-RBUKOAKNSA-N 2 0 335.536 2.922 10 30 EFEERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006205 1279973375 /nfs/dbraw/zinc/97/33/75/1279973375.db2.gz HIIHERGHCIFTPG-HXUWFJFHSA-N 2 0 347.422 2.613 10 30 EFEERP C=CCOc1cccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC001177210191 1288312614 /nfs/dbraw/zinc/31/26/14/1288312614.db2.gz ZKLSLUGEYIMMRO-HXUWFJFHSA-N 2 0 331.504 2.613 10 30 EFEERP C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496290 1312770879 /nfs/dbraw/zinc/77/08/79/1312770879.db2.gz IMNOKBULJKICAM-HUUCEWRRSA-N 2 0 333.501 2.820 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000876774815 1291019598 /nfs/dbraw/zinc/01/95/98/1291019598.db2.gz IAIYFGHUBFGHIM-DOTOQJQBSA-N 2 0 335.879 2.579 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876885737 1291057886 /nfs/dbraw/zinc/05/78/86/1291057886.db2.gz ZJIODPRUSKGSRU-NVXWUHKLSA-N 2 0 335.879 2.579 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000876941329 1291080372 /nfs/dbraw/zinc/08/03/72/1291080372.db2.gz KHAWZURYLJXUSG-RDJZCZTQSA-N 2 0 341.927 2.959 10 30 EFEERP C=CC[C@@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337103 1291632562 /nfs/dbraw/zinc/63/25/62/1291632562.db2.gz BVOZUGHJNQJJHB-SFHVURJKSA-N 2 0 331.460 2.738 10 30 EFEERP C=CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883167019 1293488126 /nfs/dbraw/zinc/48/81/26/1293488126.db2.gz NOMLCXMWKFKQFX-PZJWPPBQSA-N 2 0 343.515 2.552 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001274841307 1296188242 /nfs/dbraw/zinc/18/82/42/1296188242.db2.gz SJVLUUUHIFSPAV-KRWDZBQOSA-N 2 0 335.536 2.642 10 30 EFEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001273847754 1296288978 /nfs/dbraw/zinc/28/89/78/1296288978.db2.gz CSPLAJGLZBPFIB-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001490599631 1299022646 /nfs/dbraw/zinc/02/26/46/1299022646.db2.gz RYRJWNPGBUIQEN-HOTGVXAUSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001490602074 1299031967 /nfs/dbraw/zinc/03/19/67/1299031967.db2.gz UGBAWTHKSZMKRD-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001490793940 1299264848 /nfs/dbraw/zinc/26/48/48/1299264848.db2.gz RLQRTCSLBRUQEC-GBESFXJTSA-N 2 0 345.531 2.892 10 30 EFEERP CC1CC[NH+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852857905 1299915820 /nfs/dbraw/zinc/91/58/20/1299915820.db2.gz JLJJSFOZOWVNEH-UHFFFAOYSA-N 2 0 339.483 2.860 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001278177050 1313745905 /nfs/dbraw/zinc/74/59/05/1313745905.db2.gz HLGDBVHIQSXWQF-SREVYHEPSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001278200686 1313780978 /nfs/dbraw/zinc/78/09/78/1313780978.db2.gz QRAGMAAOWCXNMK-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001278249382 1313839051 /nfs/dbraw/zinc/83/90/51/1313839051.db2.gz CQHDBJMIONHWQF-SFHVURJKSA-N 2 0 333.520 2.846 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001278274952 1313863033 /nfs/dbraw/zinc/86/30/33/1313863033.db2.gz UDCSSVDGGSZITH-MAUKXSAKSA-N 2 0 326.444 2.802 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@H](C)C1 ZINC000866617438 1303712752 /nfs/dbraw/zinc/71/27/52/1303712752.db2.gz JMFJGDQRCGTSSI-HBGVWJBISA-N 2 0 341.499 2.752 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCCCCC)CC2(C)C)CC1 ZINC001276622685 1314109530 /nfs/dbraw/zinc/10/95/30/1314109530.db2.gz AXTIRHLKNGRIFO-IBGZPJMESA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001276624618 1314117473 /nfs/dbraw/zinc/11/74/73/1314117473.db2.gz KYOKDQJONVPHEY-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000900018883 1307605244 /nfs/dbraw/zinc/60/52/44/1307605244.db2.gz PEGFCCICKPGPGN-UHFFFAOYSA-N 2 0 329.488 2.797 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000900182870 1307751556 /nfs/dbraw/zinc/75/15/56/1307751556.db2.gz ORBRIRCKZJSFIC-UHFFFAOYSA-N 2 0 329.488 2.537 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000900246928 1307818352 /nfs/dbraw/zinc/81/83/52/1307818352.db2.gz TUVLYMXLEXIBQN-UHFFFAOYSA-N 2 0 329.488 2.584 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000900827514 1308734213 /nfs/dbraw/zinc/73/42/13/1308734213.db2.gz QQLWOBZKBFTERH-DOTOQJQBSA-N 2 0 335.517 2.755 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000900898053 1308858554 /nfs/dbraw/zinc/85/85/54/1308858554.db2.gz XLWQZKDZAGGUDN-GOSISDBHSA-N 2 0 329.488 2.617 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000900957797 1309036322 /nfs/dbraw/zinc/03/63/22/1309036322.db2.gz BHLDRCCIPMDKQJ-HKUYNNGSSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000900972903 1309081976 /nfs/dbraw/zinc/08/19/76/1309081976.db2.gz CUKUWYAFPCKAMW-PKOBYXMFSA-N 2 0 329.488 2.664 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000901191966 1309766842 /nfs/dbraw/zinc/76/68/42/1309766842.db2.gz CBNXXZZXHONVJG-QUCCMNQESA-N 2 0 343.515 2.911 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000901191964 1309767290 /nfs/dbraw/zinc/76/72/90/1309767290.db2.gz CBNXXZZXHONVJG-AZUAARDMSA-N 2 0 343.515 2.911 10 30 EFEERP CC#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@@H]2C1 ZINC001276839001 1311185003 /nfs/dbraw/zinc/18/50/03/1311185003.db2.gz FHQROGDVKCBMPI-ZCNNSNEGSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001277275281 1311906017 /nfs/dbraw/zinc/90/60/17/1311906017.db2.gz PKHGFIAXCOVNBW-LJQANCHMSA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001277283662 1311923005 /nfs/dbraw/zinc/92/30/05/1311923005.db2.gz GTRRPUUFAGYKOU-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001277283663 1311923390 /nfs/dbraw/zinc/92/33/90/1311923390.db2.gz GTRRPUUFAGYKOU-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001277286392 1311924623 /nfs/dbraw/zinc/92/46/23/1311924623.db2.gz YYVDGLWQEZXXSC-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001277286030 1311931540 /nfs/dbraw/zinc/93/15/40/1311931540.db2.gz UBKJNTQWPLCYLK-HXUWFJFHSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@]1(C)CCCCO1 ZINC000902745046 1312071180 /nfs/dbraw/zinc/07/11/80/1312071180.db2.gz KHKLPKINZAXTMW-PMACEKPBSA-N 2 0 337.552 2.898 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)[C@@]1(C)CCCCO1 ZINC000902746602 1312072465 /nfs/dbraw/zinc/07/24/65/1312072465.db2.gz KRHFFVLMCJECPB-HSALFYBXSA-N 2 0 337.552 2.896 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001277388275 1312098056 /nfs/dbraw/zinc/09/80/56/1312098056.db2.gz JUCHOILNQFONJJ-UHFFFAOYSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@]1(C)CCCCO1 ZINC000902794649 1312113269 /nfs/dbraw/zinc/11/32/69/1312113269.db2.gz XPLVZRZJPLXKKS-PMACEKPBSA-N 2 0 337.552 2.898 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001277441126 1312175643 /nfs/dbraw/zinc/17/56/43/1312175643.db2.gz LHOAQAVWKWPMRR-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001277473899 1312400092 /nfs/dbraw/zinc/40/00/92/1312400092.db2.gz LYPSXKAVHDKYPY-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001278487157 1314789712 /nfs/dbraw/zinc/78/97/12/1314789712.db2.gz MBQWTSOTWKYYOT-FGTMMUONSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001278488873 1314802331 /nfs/dbraw/zinc/80/23/31/1314802331.db2.gz YSEXNPYEQLOOEP-CEXWTWQISA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCC)[C@H](CC)C2)CC1 ZINC001276773162 1315155200 /nfs/dbraw/zinc/15/52/00/1315155200.db2.gz RRQIKXDVFIPKJQ-QUCCMNQESA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001278644464 1315413317 /nfs/dbraw/zinc/41/33/17/1315413317.db2.gz FPFSXZSALRKEJW-KZNAEPCWSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)CC1(C)C ZINC001278668655 1315456338 /nfs/dbraw/zinc/45/63/38/1315456338.db2.gz ZPMARUDLBOBEEP-FUHWJXTLSA-N 2 0 344.503 2.547 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001278676492 1315485234 /nfs/dbraw/zinc/48/52/34/1315485234.db2.gz HUUOVYLYBMKNEM-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC001278677811 1315491843 /nfs/dbraw/zinc/49/18/43/1315491843.db2.gz SKLIWDFNRPZHPA-IBGZPJMESA-N 2 0 347.547 2.901 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001278962638 1315989182 /nfs/dbraw/zinc/98/91/82/1315989182.db2.gz SCEYTTIGCYERPC-FUHWJXTLSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@H](C)CC(C)C)CC1 ZINC001263821009 1316566549 /nfs/dbraw/zinc/56/65/49/1316566549.db2.gz KXZKCFIQOYKKFR-QUCCMNQESA-N 2 0 347.547 2.547 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001263864566 1316570325 /nfs/dbraw/zinc/57/03/25/1316570325.db2.gz YSYDBPDTRAJUGM-LNLFQRSKSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001263957298 1316575372 /nfs/dbraw/zinc/57/53/72/1316575372.db2.gz BRRWUWRXKSTPHB-GOEBONIOSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001263957297 1316575389 /nfs/dbraw/zinc/57/53/89/1316575389.db2.gz BRRWUWRXKSTPHB-GDBMZVCRSA-N 2 0 329.916 2.688 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001264187021 1316597848 /nfs/dbraw/zinc/59/78/48/1316597848.db2.gz BRBPIIDESLPKHB-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001264187570 1316598608 /nfs/dbraw/zinc/59/86/08/1316598608.db2.gz ZSJHMEFZXMUMAE-FQEVSTJZSA-N 2 0 345.531 2.611 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196718 1316600135 /nfs/dbraw/zinc/60/01/35/1316600135.db2.gz JUMNZXXRXFMAKI-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196716 1316600608 /nfs/dbraw/zinc/60/06/08/1316600608.db2.gz JUMNZXXRXFMAKI-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001265094740 1316719418 /nfs/dbraw/zinc/71/94/18/1316719418.db2.gz JCLBDSYSPCDLTJ-UYAOXDASSA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001265230815 1316761284 /nfs/dbraw/zinc/76/12/84/1316761284.db2.gz MJYOPOCVZIAUOU-ICSRJNTNSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001265329379 1316783634 /nfs/dbraw/zinc/78/36/34/1316783634.db2.gz FEZBXZGYODKBSP-KRWDZBQOSA-N 2 0 333.520 2.796 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265338843 1316785439 /nfs/dbraw/zinc/78/54/39/1316785439.db2.gz NDLBIQPXZVVRTM-SFHVURJKSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265390500 1316795559 /nfs/dbraw/zinc/79/55/59/1316795559.db2.gz GRZLTXPWSFREMJ-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001265390743 1316795849 /nfs/dbraw/zinc/79/58/49/1316795849.db2.gz MEHINFGLRHWBOV-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001265390523 1316796091 /nfs/dbraw/zinc/79/60/91/1316796091.db2.gz GYGWQZZXSWDDPR-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265407165 1316800818 /nfs/dbraw/zinc/80/08/18/1316800818.db2.gz SBJWGQXFAQHJSZ-QXCZDIPSSA-N 2 0 333.520 2.747 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001265622101 1316837213 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UERCRXJUIBEVOA-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001317336231 1327866463 /nfs/dbraw/zinc/86/64/63/1327866463.db2.gz HDNDLLHQWVBIPH-IBGZPJMESA-N 2 0 343.515 2.809 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001317369521 1327911018 /nfs/dbraw/zinc/91/10/18/1327911018.db2.gz YTCNFEAOFFCXRY-FQEVSTJZSA-N 2 0 343.515 2.884 10 30 EFEERP CC[N@H+](C)CCC(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317410623 1327961016 /nfs/dbraw/zinc/96/10/16/1327961016.db2.gz KGRSEABICQTMHG-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCCC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001317553559 1328138424 /nfs/dbraw/zinc/13/84/24/1328138424.db2.gz NFXWBZSEDSDFHZ-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001317729539 1328340201 /nfs/dbraw/zinc/34/02/01/1328340201.db2.gz VJDWYCRMFADRNW-OAQYLSRUSA-N 2 0 349.478 2.832 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848636 1328415726 /nfs/dbraw/zinc/41/57/26/1328415726.db2.gz OMSGTEONOGITTA-QUCCMNQESA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317875190 1328432969 /nfs/dbraw/zinc/43/29/69/1328432969.db2.gz CHWJEUYFPSLHCD-QGZVFWFLSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243882 1329440582 /nfs/dbraw/zinc/44/05/82/1329440582.db2.gz JEHNOCPFRAPBHV-QAPCUYQASA-N 2 0 327.488 2.602 10 30 EFEERP C=CCO[C@H]1CC[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001322278197 1329443100 /nfs/dbraw/zinc/44/31/00/1329443100.db2.gz VQVSQZXMPRXPRM-VQTJNVASSA-N 2 0 330.472 2.554 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001322844126 1329493709 /nfs/dbraw/zinc/49/37/09/1329493709.db2.gz NRWAPPRAOZIYIT-SFHVURJKSA-N 2 0 341.499 2.531 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001323480986 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C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001325525794 1329694282 /nfs/dbraw/zinc/69/42/82/1329694282.db2.gz KAMOSJOYSCIYBU-GOEBONIOSA-N 2 0 335.517 2.684 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001325525805 1329694359 /nfs/dbraw/zinc/69/43/59/1329694359.db2.gz KAMOSJOYSCIYBU-ZBFHGGJFSA-N 2 0 335.517 2.684 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001325579841 1329698476 /nfs/dbraw/zinc/69/84/76/1329698476.db2.gz BUDSRSYLXOJLCC-PXNSSMCTSA-N 2 0 347.547 2.759 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001325664503 1329705000 /nfs/dbraw/zinc/70/50/00/1329705000.db2.gz CAHLJYYYLPXTRU-IYARVYRRSA-N 2 0 335.536 2.807 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001325665172 1329705017 /nfs/dbraw/zinc/70/50/17/1329705017.db2.gz IVAPCXPROAEQRS-VAMGGRTRSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001325679026 1329705844 /nfs/dbraw/zinc/70/58/44/1329705844.db2.gz GTLQFXKOWXXEOC-VJANTYMQSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001325679547 1329706267 /nfs/dbraw/zinc/70/62/67/1329706267.db2.gz LMTVMSQGBIWKPF-IYARVYRRSA-N 2 0 333.520 2.561 10 30 EFEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001325701681 1329707546 /nfs/dbraw/zinc/70/75/46/1329707546.db2.gz OKSYNFFYDISUPF-IBGZPJMESA-N 2 0 341.499 2.503 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001325707598 1329707789 /nfs/dbraw/zinc/70/77/89/1329707789.db2.gz CZIBJKVKAZEAIL-UHFFFAOYSA-N 2 0 329.488 2.523 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001325761303 1329711190 /nfs/dbraw/zinc/71/11/90/1329711190.db2.gz ISTPRSAZWWDOIG-OKYOBFRVSA-N 2 0 335.536 2.852 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001326478530 1329759356 /nfs/dbraw/zinc/75/93/56/1329759356.db2.gz CFOZCEDGPKKMDS-INIZCTEOSA-N 2 0 329.488 2.871 10 30 EFEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001327212973 1330443225 /nfs/dbraw/zinc/44/32/25/1330443225.db2.gz MTLGVFKAFSWSCJ-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327307399 1330456536 /nfs/dbraw/zinc/45/65/36/1330456536.db2.gz CEHRSJDNOCXAGB-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001327456180 1330481599 /nfs/dbraw/zinc/48/15/99/1330481599.db2.gz XZGCRXDPZBHEST-LJQANCHMSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001328577421 1330604489 /nfs/dbraw/zinc/60/44/89/1330604489.db2.gz GAKLQMGPESDOBH-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001328695155 1330617276 /nfs/dbraw/zinc/61/72/76/1330617276.db2.gz ZOAJMYYLMVRJIS-UYAOXDASSA-N 2 0 329.488 2.666 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329203472 1330680515 /nfs/dbraw/zinc/68/05/15/1330680515.db2.gz SXPKKQXDVCADOV-HZPDHXFCSA-N 2 0 349.906 2.515 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001330364454 1330762843 /nfs/dbraw/zinc/76/28/43/1330762843.db2.gz NBVNUDSGPSGGLD-MKXGPGLRSA-N 2 0 333.520 2.511 10 30 EFEERP C[C@@H](CCC[NH2+]CC#Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001330912237 1330769664 /nfs/dbraw/zinc/76/96/64/1330769664.db2.gz XBRHEOULJICJIA-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001331038487 1330786451 /nfs/dbraw/zinc/78/64/51/1330786451.db2.gz HHJMNBWLNSMHOO-SQNIBIBYSA-N 2 0 335.536 2.994 10 30 EFEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001332027973 1330906696 /nfs/dbraw/zinc/90/66/96/1330906696.db2.gz NIUPQUADFZSMIQ-QFBILLFUSA-N 2 0 329.488 2.559 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001332089821 1330916485 /nfs/dbraw/zinc/91/64/85/1330916485.db2.gz KSKQESZMWAJFAE-XFKSJGNHSA-N 2 0 333.520 2.796 10 30 EFEERP CC#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001332101297 1330920322 /nfs/dbraw/zinc/92/03/22/1330920322.db2.gz SXPJDTUNRWGNOK-CTNGQTDRSA-N 2 0 345.531 2.778 10 30 EFEERP C=C(C)C[NH2+][C@@H](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC001332221385 1330944144 /nfs/dbraw/zinc/94/41/44/1330944144.db2.gz MSHCZJHDNYMVHP-FQEVSTJZSA-N 2 0 343.515 2.612 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C(C)(C)C ZINC001332876699 1331034555 /nfs/dbraw/zinc/03/45/55/1331034555.db2.gz SONFUEJRMZUIHS-GOSISDBHSA-N 2 0 329.488 2.506 10 30 EFEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001332973101 1331056879 /nfs/dbraw/zinc/05/68/79/1331056879.db2.gz VWKGVHVEEDWQTF-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001333363166 1331125097 /nfs/dbraw/zinc/12/50/97/1331125097.db2.gz AAJYFHIKYYUCSS-RTBURBONSA-N 2 0 331.504 2.718 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001333456365 1331148056 /nfs/dbraw/zinc/14/80/56/1331148056.db2.gz CCRPEJMXIWWXOV-IEBWSBKVSA-N 2 0 333.520 2.964 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001333456363 1331148097 /nfs/dbraw/zinc/14/80/97/1331148097.db2.gz CCRPEJMXIWWXOV-HKUYNNGSSA-N 2 0 333.520 2.964 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001333471559 1331151036 /nfs/dbraw/zinc/15/10/36/1331151036.db2.gz NZZIBWUEQXKJNU-SFHVURJKSA-N 2 0 333.451 2.592 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c(F)c1 ZINC001333479699 1331152737 /nfs/dbraw/zinc/15/27/37/1331152737.db2.gz NDWAUILQAINXLM-IBGZPJMESA-N 2 0 347.478 2.980 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)C(C)C ZINC001340810062 1332208630 /nfs/dbraw/zinc/20/86/30/1332208630.db2.gz ULIHMOUSCBWOPF-GOSISDBHSA-N 2 0 333.520 2.581 10 30 EFEERP C#CC[NH+]1CCC(N(CCC)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001479996267 1333017249 /nfs/dbraw/zinc/01/72/49/1333017249.db2.gz BTHQHEOQKBKRJH-UHFFFAOYSA-N 2 0 333.520 2.589 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001366877672 1338151976 /nfs/dbraw/zinc/15/19/76/1338151976.db2.gz YYMZCTVCLQPKGR-IAGOWNOFSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001368417116 1339350836 /nfs/dbraw/zinc/35/08/36/1339350836.db2.gz WDNBBASKIRNHIJ-RHSMWYFYSA-N 2 0 335.879 2.658 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001375588037 1342906703 /nfs/dbraw/zinc/90/67/03/1342906703.db2.gz RTHLMDVQRKECFF-VNQPRFMTSA-N 2 0 347.906 2.636 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001377612000 1344220545 /nfs/dbraw/zinc/22/05/45/1344220545.db2.gz FPZCKIDWJRUWQV-IRXDYDNUSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)CN1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001380793001 1347882979 /nfs/dbraw/zinc/88/29/79/1347882979.db2.gz OIYFPNYLWRQVRL-YESZJQIVSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001388839191 1353078810 /nfs/dbraw/zinc/07/88/10/1353078810.db2.gz NWSPTUPIOGGIGA-JKSUJKDBSA-N 2 0 343.943 2.932 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001390148929 1353862853 /nfs/dbraw/zinc/86/28/53/1353862853.db2.gz GUKMWMBRQKVFHK-IRXDYDNUSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001391254508 1354976752 /nfs/dbraw/zinc/97/67/52/1354976752.db2.gz CGLVCJHVADUWDK-RYQLBKOJSA-N 2 0 349.906 2.916 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001392166102 1355820004 /nfs/dbraw/zinc/82/00/04/1355820004.db2.gz NDQLABDOYHNVMJ-OIISXLGYSA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001393086723 1356580483 /nfs/dbraw/zinc/58/04/83/1356580483.db2.gz HBZYIPKQPQMWKU-GOSISDBHSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001394410686 1357787031 /nfs/dbraw/zinc/78/70/31/1357787031.db2.gz WRNBBJNCXSVUCQ-QGZVFWFLSA-N 2 0 343.943 2.980 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001437207351 1387469745 /nfs/dbraw/zinc/46/97/45/1387469745.db2.gz QYNFITTWFJRCGO-GOEBONIOSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001400969513 1362308233 /nfs/dbraw/zinc/30/82/33/1362308233.db2.gz AWOBQNCOQJZOQA-JKSUJKDBSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001401249849 1362589715 /nfs/dbraw/zinc/58/97/15/1362589715.db2.gz BZCHGVSLJZCSLB-DOTOQJQBSA-N 2 0 337.895 2.868 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001401304796 1362650849 /nfs/dbraw/zinc/65/08/49/1362650849.db2.gz QYUDERWFYQWOIQ-WBVHZDCISA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCC1 ZINC001402107984 1363414965 /nfs/dbraw/zinc/41/49/65/1363414965.db2.gz RDSOTUZBAHYHKW-SJORKVTESA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001402250279 1363569656 /nfs/dbraw/zinc/56/96/56/1363569656.db2.gz LXXUKMWYCDLQJT-CVEARBPZSA-N 2 0 339.911 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001402769257 1364018456 /nfs/dbraw/zinc/01/84/56/1364018456.db2.gz LNWMZDWZWJCWJR-HZPDHXFCSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001402926505 1364141533 /nfs/dbraw/zinc/14/15/33/1364141533.db2.gz GEHBWISJWXHGPW-QGZVFWFLSA-N 2 0 341.927 2.641 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001403240960 1364453193 /nfs/dbraw/zinc/45/31/93/1364453193.db2.gz BUQIQABBSNTELZ-SJLPKXTDSA-N 2 0 349.906 2.870 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001408001346 1369514418 /nfs/dbraw/zinc/51/44/18/1369514418.db2.gz OOWYEGLOSOVIAN-KRWDZBQOSA-N 2 0 339.911 2.586 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001408099076 1369606261 /nfs/dbraw/zinc/60/62/61/1369606261.db2.gz SYUNJJUEHGGSSF-JKSUJKDBSA-N 2 0 339.911 2.727 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001408099073 1369606491 /nfs/dbraw/zinc/60/64/91/1369606491.db2.gz SYUNJJUEHGGSSF-HZPDHXFCSA-N 2 0 339.911 2.727 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001408105549 1369611587 /nfs/dbraw/zinc/61/15/87/1369611587.db2.gz GPYDNMXUUOFCRQ-HNNXBMFYSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001502126449 1404020047 /nfs/dbraw/zinc/02/00/47/1404020047.db2.gz YKAYPWIJIPCGCV-CVEARBPZSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001418186699 1373750752 /nfs/dbraw/zinc/75/07/52/1373750752.db2.gz IPGMAKJWZNSYSM-GPANFISMSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001419626020 1375574532 /nfs/dbraw/zinc/57/45/32/1375574532.db2.gz RPHBMYSRQSCBDH-CVEARBPZSA-N 2 0 327.900 2.536 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001438296978 1388490378 /nfs/dbraw/zinc/49/03/78/1388490378.db2.gz BMPVSRSTIFOHOA-HOTGVXAUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001420928638 1377893183 /nfs/dbraw/zinc/89/31/83/1377893183.db2.gz HPZAIKXHYOIEFA-IAGOWNOFSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001421010402 1378016953 /nfs/dbraw/zinc/01/69/53/1378016953.db2.gz ZFEMYTOVIMHGNE-DLBZAZTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001422119518 1379639486 /nfs/dbraw/zinc/63/94/86/1379639486.db2.gz KRIMAXREWFJDAB-JKSUJKDBSA-N 2 0 329.916 2.591 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001422353309 1379962439 /nfs/dbraw/zinc/96/24/39/1379962439.db2.gz MLFHMNXYTUFBGX-NEPJUHHUSA-N 2 0 329.897 2.659 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001424728638 1383300816 /nfs/dbraw/zinc/30/08/16/1383300816.db2.gz GGKSQBQAPJHIPP-UHFFFAOYSA-N 2 0 349.906 2.641 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001425145228 1383522417 /nfs/dbraw/zinc/52/24/17/1383522417.db2.gz ZMVXHUHJPKIGGU-OAGGEKHMSA-N 2 0 329.916 2.542 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001426134135 1384016946 /nfs/dbraw/zinc/01/69/46/1384016946.db2.gz INWQFNNJSMQURB-JKSUJKDBSA-N 2 0 343.943 2.980 10 30 EFEERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC001426160899 1384036509 /nfs/dbraw/zinc/03/65/09/1384036509.db2.gz DRVMKRJDLXXFPN-SFHVURJKSA-N 2 0 344.503 2.519 10 30 EFEERP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001506870272 1406387575 /nfs/dbraw/zinc/38/75/75/1406387575.db2.gz JTFIBRISCYKXDO-OYRHEFFESA-N 2 0 347.547 2.999 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001441109571 1391102957 /nfs/dbraw/zinc/10/29/57/1391102957.db2.gz RAMCNGHPFWUISN-UHFFFAOYSA-N 2 0 341.927 2.880 10 30 EFEERP C=CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001506979193 1406540895 /nfs/dbraw/zinc/54/08/95/1406540895.db2.gz BXYZBUDUSVFBGO-QRQLOZEOSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001506979237 1406540641 /nfs/dbraw/zinc/54/06/41/1406540641.db2.gz CTQWDIQUPYWTLZ-OALUTQOASA-N 2 0 329.488 2.884 10 30 EFEERP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001473877881 1397342907 /nfs/dbraw/zinc/34/29/07/1397342907.db2.gz YHSKVKAUPTXVDD-QGZVFWFLSA-N 2 0 327.472 2.932 10 30 EFEERP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001507336947 1406904809 /nfs/dbraw/zinc/90/48/09/1406904809.db2.gz BFTSWNDVLVVEHA-JKSUJKDBSA-N 2 0 333.476 2.890 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001479301232 1397672686 /nfs/dbraw/zinc/67/26/86/1397672686.db2.gz YSYDBPDTRAJUGM-SCTDSRPQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001479501656 1397739139 /nfs/dbraw/zinc/73/91/39/1397739139.db2.gz LWYYZHCEWHUMMU-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001479504708 1397739588 /nfs/dbraw/zinc/73/95/88/1397739588.db2.gz UGMCEBMLKSEJLT-IBGZPJMESA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001479645476 1397759202 /nfs/dbraw/zinc/75/92/02/1397759202.db2.gz QCZJLKDYNYLUSH-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC2CCCCCC2)CC1 ZINC001479817111 1397912633 /nfs/dbraw/zinc/91/26/33/1397912633.db2.gz ZSPREBSUUJLNFG-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001479893050 1398006052 /nfs/dbraw/zinc/00/60/52/1398006052.db2.gz HAMBNBWARQSONK-SFHVURJKSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001479993714 1398078968 /nfs/dbraw/zinc/07/89/68/1398078968.db2.gz RHOASFPJMWAREU-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086414 1398123077 /nfs/dbraw/zinc/12/30/77/1398123077.db2.gz XVRIGEYVBDAJNI-QFBILLFUSA-N 2 0 339.499 2.555 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001480367529 1398181530 /nfs/dbraw/zinc/18/15/30/1398181530.db2.gz KXFNNXDYIVENJY-HZPDHXFCSA-N 2 0 327.900 2.584 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480660866 1398268992 /nfs/dbraw/zinc/26/89/92/1398268992.db2.gz JLEVCUWIZWFOQJ-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480662061 1398269585 /nfs/dbraw/zinc/26/95/85/1398269585.db2.gz RXXBKRPNIKMGER-FHWLQOOXSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001507364559 1406957527 /nfs/dbraw/zinc/95/75/27/1406957527.db2.gz PFZNFZZOMBXLKK-CEXWTWQISA-N 2 0 335.536 2.901 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001493205208 1398530895 /nfs/dbraw/zinc/53/08/95/1398530895.db2.gz CXHOPLYIPCBFEN-MJGOQNOKSA-N 2 0 335.536 2.737 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001493205206 1398531399 /nfs/dbraw/zinc/53/13/99/1398531399.db2.gz CXHOPLYIPCBFEN-IEBWSBKVSA-N 2 0 335.536 2.737 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001493832686 1398910779 /nfs/dbraw/zinc/91/07/79/1398910779.db2.gz SCMWGAPQPSMTTI-QGZVFWFLSA-N 2 0 347.547 2.879 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C(C)C ZINC001493865671 1398935770 /nfs/dbraw/zinc/93/57/70/1398935770.db2.gz VOVXNTQQZOJMRJ-UHFFFAOYSA-N 2 0 335.536 2.879 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC)[C@H]2C)CC1 ZINC001507388831 1407001014 /nfs/dbraw/zinc/00/10/14/1407001014.db2.gz VDGHMCVPSXRXPD-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426792 1407041224 /nfs/dbraw/zinc/04/12/24/1407041224.db2.gz HDXXVQUGIVXGCN-QFBILLFUSA-N 2 0 329.488 2.812 10 30 EFEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001495381444 1399928175 /nfs/dbraw/zinc/92/81/75/1399928175.db2.gz XAMJPGOEMYXCRG-AZUAARDMSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001495438443 1399980424 /nfs/dbraw/zinc/98/04/24/1399980424.db2.gz XJCJPZFXKWOKNZ-IBGZPJMESA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001495458702 1399997929 /nfs/dbraw/zinc/99/79/29/1399997929.db2.gz VKRYYHJTIFKLJA-IYARVYRRSA-N 2 0 333.520 2.846 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001495498640 1400032616 /nfs/dbraw/zinc/03/26/16/1400032616.db2.gz WIHFMSOSPHBNRH-OALUTQOASA-N 2 0 329.488 2.699 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001495540443 1400070696 /nfs/dbraw/zinc/07/06/96/1400070696.db2.gz KXPITHKVIBLQGX-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP C#CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC001495934671 1400364194 /nfs/dbraw/zinc/36/41/94/1400364194.db2.gz IYLGIXCGJAGWNS-UHFFFAOYSA-N 2 0 333.520 2.683 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496173117 1400517858 /nfs/dbraw/zinc/51/78/58/1400517858.db2.gz YIEXPISRGGQVSO-JQHSSLGASA-N 2 0 349.906 2.521 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCCC2CCCC2)CC1 ZINC001496239921 1400564567 /nfs/dbraw/zinc/56/45/67/1400564567.db2.gz VEMXIGZZCDVRRP-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001496275562 1400592420 /nfs/dbraw/zinc/59/24/20/1400592420.db2.gz OBPLLIUSBMQNTG-MRXNPFEDSA-N 2 0 341.927 2.735 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001496313504 1400629701 /nfs/dbraw/zinc/62/97/01/1400629701.db2.gz XGBPUDLHRHHJEU-OALUTQOASA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001496315694 1400631984 /nfs/dbraw/zinc/63/19/84/1400631984.db2.gz WHPSYPPXUKSQQA-OALUTQOASA-N 2 0 333.520 2.559 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001496326902 1400642332 /nfs/dbraw/zinc/64/23/32/1400642332.db2.gz PVKSCNRZUIMGEU-SFHVURJKSA-N 2 0 333.520 2.703 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484677 1400762563 /nfs/dbraw/zinc/76/25/63/1400762563.db2.gz CZPXGWHJVYQZRW-GDBMZVCRSA-N 2 0 329.916 2.688 10 30 EFEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001496504391 1400778970 /nfs/dbraw/zinc/77/89/70/1400778970.db2.gz DNTISIKXXKFYQZ-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001496504972 1400780417 /nfs/dbraw/zinc/78/04/17/1400780417.db2.gz ZBRHUMHXNODDMM-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[N@@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001496506862 1400783025 /nfs/dbraw/zinc/78/30/25/1400783025.db2.gz XDSSHRJBDGZVMQ-UHFFFAOYSA-N 2 0 347.547 2.692 10 30 EFEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001496508165 1400783670 /nfs/dbraw/zinc/78/36/70/1400783670.db2.gz HGZHXYKTNPSSDP-UHFFFAOYSA-N 2 0 335.536 2.548 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001496512374 1400787054 /nfs/dbraw/zinc/78/70/54/1400787054.db2.gz FUNZZYOMCQACLK-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@@H+](C)CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001507834767 1407177344 /nfs/dbraw/zinc/17/73/44/1407177344.db2.gz ZPELJUPXLIRJRE-GOSISDBHSA-N 2 0 327.488 2.554 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001507963820 1407225601 /nfs/dbraw/zinc/22/56/01/1407225601.db2.gz RERASAQNMYSRPF-KRWDZBQOSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001498506573 1402151966 /nfs/dbraw/zinc/15/19/66/1402151966.db2.gz ZFWGMEFWPBQSKC-WOJBJXKFSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001499228171 1402529480 /nfs/dbraw/zinc/52/94/80/1402529480.db2.gz DYGNIYZYGOOKLE-KRWDZBQOSA-N 2 0 333.520 2.846 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001499491939 1402640570 /nfs/dbraw/zinc/64/05/70/1402640570.db2.gz HYURYQREQMRLLP-YQQQUEKLSA-N 2 0 345.531 2.940 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001499492700 1402640928 /nfs/dbraw/zinc/64/09/28/1402640928.db2.gz IXAHQYYYZNPREL-YQQQUEKLSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001499496124 1402642894 /nfs/dbraw/zinc/64/28/94/1402642894.db2.gz QKKKDPVGHDMWDU-QBUWPKIASA-N 2 0 333.520 2.939 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001499515163 1402652236 /nfs/dbraw/zinc/65/22/36/1402652236.db2.gz QFQJLBFVNGMQDQ-OTWHNJEPSA-N 2 0 335.536 2.974 10 30 EFEERP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001499573185 1402692534 /nfs/dbraw/zinc/69/25/34/1402692534.db2.gz BADTXINQBSPDPR-FQEVSTJZSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499601906 1402710862 /nfs/dbraw/zinc/71/08/62/1402710862.db2.gz FVSADFZAIYPUQO-MJGOQNOKSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001499610640 1402715955 /nfs/dbraw/zinc/71/59/55/1402715955.db2.gz QZFHHVSJWASFLR-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001499620203 1402724316 /nfs/dbraw/zinc/72/43/16/1402724316.db2.gz SZNIRRATNYBLAA-CTNGQTDRSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001499919695 1402855017 /nfs/dbraw/zinc/85/50/17/1402855017.db2.gz WNEIFJAXZNCNRO-OALUTQOASA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001500030043 1402905751 /nfs/dbraw/zinc/90/57/51/1402905751.db2.gz WRNGJLOQAGLCEU-HXUWFJFHSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC[NH+](CC(=C)C)CC1 ZINC001500047591 1402911966 /nfs/dbraw/zinc/91/19/66/1402911966.db2.gz UQAFWFSXOGVJNK-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC[NH+](CC(C)C)CC1 ZINC001500047198 1402912283 /nfs/dbraw/zinc/91/22/83/1402912283.db2.gz KUXCNXZYCSBBKY-IBGZPJMESA-N 2 0 335.536 2.689 10 30 EFEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCCC)CC1 ZINC001500057541 1402916594 /nfs/dbraw/zinc/91/65/94/1402916594.db2.gz IWSRDARPQMHADA-HDICACEKSA-N 2 0 333.520 2.586 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001500122625 1402946199 /nfs/dbraw/zinc/94/61/99/1402946199.db2.gz HXIFQKDHZMLQFH-FUHWJXTLSA-N 2 0 333.520 2.702 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCCC)C2)CC1 ZINC001500552788 1403217406 /nfs/dbraw/zinc/21/74/06/1403217406.db2.gz LTRIZXNKHGZOLP-OAQYLSRUSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)Cc3[nH]cnc3C)CC2)CC1 ZINC001508161745 1407322959 /nfs/dbraw/zinc/32/29/59/1407322959.db2.gz HBWUXPYNGNZIQB-HNNXBMFYSA-N 2 0 344.503 2.976 10 30 EFEERP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501015956 1403405912 /nfs/dbraw/zinc/40/59/12/1403405912.db2.gz PYVVIOLISPGKTN-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1CC ZINC001501018643 1403406901 /nfs/dbraw/zinc/40/69/01/1403406901.db2.gz FHCADWAAHIMHAQ-MOPGFXCFSA-N 2 0 329.488 2.666 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001501021218 1403409275 /nfs/dbraw/zinc/40/92/75/1403409275.db2.gz CFMILMLFAMGSDG-LJQANCHMSA-N 2 0 341.499 2.668 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001501055208 1403423149 /nfs/dbraw/zinc/42/31/49/1403423149.db2.gz ZNEVVKYAJJCJGJ-GOEBONIOSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001508210609 1407348724 /nfs/dbraw/zinc/34/87/24/1407348724.db2.gz DKAUVXSIZAZBIB-LNLFQRSKSA-N 2 0 333.520 2.820 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001508211928 1407349016 /nfs/dbraw/zinc/34/90/16/1407349016.db2.gz CWNNTOUXILPTNC-QGZVFWFLSA-N 2 0 333.520 2.964 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001501676776 1403706077 /nfs/dbraw/zinc/70/60/77/1403706077.db2.gz PGDKWZQYSKRRLI-YLJYHZDGSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001501746802 1403762886 /nfs/dbraw/zinc/76/28/86/1403762886.db2.gz RQYSTQKNENAZEY-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)c(F)c1 ZINC001508241137 1407372397 /nfs/dbraw/zinc/37/23/97/1407372397.db2.gz FIRFMIICRGJZBL-UHFFFAOYSA-N 2 0 333.451 2.594 10 30 EFEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)CC[N@@H+](C)CCC)cc2C1 ZINC001502652833 1404286142 /nfs/dbraw/zinc/28/61/42/1404286142.db2.gz HLHJCKLZJMGDLX-UHFFFAOYSA-N 2 0 329.488 2.926 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502747985 1404323590 /nfs/dbraw/zinc/32/35/90/1404323590.db2.gz LUTRDBUGYGKPTR-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001502829456 1404380083 /nfs/dbraw/zinc/38/00/83/1404380083.db2.gz VJGKNQBJDMEVTR-SFHVURJKSA-N 2 0 347.547 2.879 10 30 EFEERP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001503763671 1404507712 /nfs/dbraw/zinc/50/77/12/1404507712.db2.gz FKJSDJHTKZBPOZ-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001503764985 1404508319 /nfs/dbraw/zinc/50/83/19/1404508319.db2.gz ZFFHCDBUIRDTAZ-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001505446987 1404642375 /nfs/dbraw/zinc/64/23/75/1404642375.db2.gz WUWZMCIFXQSBNY-VQIMIIECSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001505465855 1404692714 /nfs/dbraw/zinc/69/27/14/1404692714.db2.gz NLBFZZASIFKTOE-LJQANCHMSA-N 2 0 329.488 2.861 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001725628874 1425727457 /nfs/dbraw/zinc/72/74/57/1425727457.db2.gz LUGMAJZMRTTWOI-CEXWTWQISA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001505833549 1405123380 /nfs/dbraw/zinc/12/33/80/1405123380.db2.gz KXVKGMYGJHXDRD-IBGZPJMESA-N 2 0 341.515 2.849 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001506179562 1405510018 /nfs/dbraw/zinc/51/00/18/1405510018.db2.gz RIVLUYATACFVPN-MOPGFXCFSA-N 2 0 335.536 2.757 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001506523239 1405904838 /nfs/dbraw/zinc/90/48/38/1405904838.db2.gz UAVZHLTWSDGLIS-UHFFFAOYSA-N 2 0 345.531 2.540 10 30 EFEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001506533183 1405918994 /nfs/dbraw/zinc/91/89/94/1405918994.db2.gz PAFMBHPCFFCNLU-QZTJIDSGSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCCCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001506740124 1406229143 /nfs/dbraw/zinc/22/91/43/1406229143.db2.gz QKDLKQLBYJOJRJ-KURKYZTESA-N 2 0 335.536 2.900 10 30 EFEERP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001560155675 1415264480 /nfs/dbraw/zinc/26/44/80/1415264480.db2.gz RMKOLYFWPAGJCT-QGZVFWFLSA-N 2 0 336.439 2.933 10 30 EFEERP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001560155674 1415264773 /nfs/dbraw/zinc/26/47/73/1415264773.db2.gz RMKOLYFWPAGJCT-KRWDZBQOSA-N 2 0 336.439 2.933 10 30 EFEERP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001565882861 1415442827 /nfs/dbraw/zinc/44/28/27/1415442827.db2.gz OWAXZQWCAPAWOO-HSALFYBXSA-N 2 0 341.499 2.631 10 30 EFEERP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001565894614 1415445328 /nfs/dbraw/zinc/44/53/28/1415445328.db2.gz MBAQFBHBXBXQIV-GBESFXJTSA-N 2 0 345.531 2.539 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001565943310 1415461445 /nfs/dbraw/zinc/46/14/45/1415461445.db2.gz OZYNLWXPNAQQDR-GOEBONIOSA-N 2 0 329.916 2.686 10 30 EFEERP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001565943991 1415461718 /nfs/dbraw/zinc/46/17/18/1415461718.db2.gz XZGYCVRKYTZMJX-UXHICEINSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1ncc[nH]1 ZINC001565994738 1415475146 /nfs/dbraw/zinc/47/51/46/1415475146.db2.gz JWRHWNZGXBVUAO-FHLIZLRMSA-N 2 0 330.476 2.524 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001566121273 1415520076 /nfs/dbraw/zinc/52/00/76/1415520076.db2.gz APPWNJQCKZGTEI-SFHVURJKSA-N 2 0 338.455 2.593 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566535642 1415623267 /nfs/dbraw/zinc/62/32/67/1415623267.db2.gz SSIZUDUGZXAMBG-CVEARBPZSA-N 2 0 329.916 2.830 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566719470 1415745591 /nfs/dbraw/zinc/74/55/91/1415745591.db2.gz LJNZPRLKOSZOEO-RTBURBONSA-N 2 0 333.520 2.844 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001566741629 1415755084 /nfs/dbraw/zinc/75/50/84/1415755084.db2.gz GYBGGILRJBHRBY-SFHVURJKSA-N 2 0 343.515 2.761 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC001566746555 1415759507 /nfs/dbraw/zinc/75/95/07/1415759507.db2.gz KWSQGRKUWCMIOS-MSOLQXFVSA-N 2 0 346.519 2.878 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001566799555 1415778525 /nfs/dbraw/zinc/77/85/25/1415778525.db2.gz GFILECDIUOLPQB-IYARVYRRSA-N 2 0 329.488 2.607 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566895332 1415828383 /nfs/dbraw/zinc/82/83/83/1415828383.db2.gz GTYGCOPIPBPIII-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566962973 1415876682 /nfs/dbraw/zinc/87/66/82/1415876682.db2.gz OHCOVGDHSKSAHS-ZWKOTPCHSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567124587 1415942338 /nfs/dbraw/zinc/94/23/38/1415942338.db2.gz JZPDDBZNLDWXNB-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC/C=C/CCC)C2)CC1 ZINC001567154758 1415956395 /nfs/dbraw/zinc/95/63/95/1415956395.db2.gz INNZEFDQOKSVCI-GHOSXJJBSA-N 2 0 345.531 2.516 10 30 EFEERP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567169750 1415967264 /nfs/dbraw/zinc/96/72/64/1415967264.db2.gz RKCAUMRNZZUBKZ-MSOLQXFVSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCC[NH2+]CCc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001567183331 1415976596 /nfs/dbraw/zinc/97/65/96/1415976596.db2.gz XWEFVTFGZBOHMZ-UHFFFAOYSA-N 2 0 341.499 2.639 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001567256328 1416028698 /nfs/dbraw/zinc/02/86/98/1416028698.db2.gz FRPFVXZEJGRTAN-IBGZPJMESA-N 2 0 347.547 2.883 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001567263708 1416041038 /nfs/dbraw/zinc/04/10/38/1416041038.db2.gz ZUNIKYWQEYAWKN-RTBURBONSA-N 2 0 333.520 2.633 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567267394 1416046343 /nfs/dbraw/zinc/04/63/43/1416046343.db2.gz XBLHZJIPKOKNFE-HXUWFJFHSA-N 2 0 341.499 2.746 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567416440 1416126723 /nfs/dbraw/zinc/12/67/23/1416126723.db2.gz ZPKOHCIKYGKMMC-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001567633193 1416218507 /nfs/dbraw/zinc/21/85/07/1416218507.db2.gz HBIOGIDDVYTIMH-QGZVFWFLSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001567634283 1416219209 /nfs/dbraw/zinc/21/92/09/1416219209.db2.gz LXZOXGMBSPMPOA-KRWDZBQOSA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001567633943 1416219236 /nfs/dbraw/zinc/21/92/36/1416219236.db2.gz PYXQZOBCYLFCEQ-MRXNPFEDSA-N 2 0 333.520 2.511 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001567663374 1416236576 /nfs/dbraw/zinc/23/65/76/1416236576.db2.gz HZSDKLRETFDNRX-FQEVSTJZSA-N 2 0 337.467 2.995 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001567665776 1416237527 /nfs/dbraw/zinc/23/75/27/1416237527.db2.gz LNKWCVCBSLYMAV-IBGZPJMESA-N 2 0 329.488 2.886 10 30 EFEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001567713159 1416258529 /nfs/dbraw/zinc/25/85/29/1416258529.db2.gz XTYKVLLIGLCGRW-MJGOQNOKSA-N 2 0 329.488 2.694 10 30 EFEERP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567741285 1416266889 /nfs/dbraw/zinc/26/68/89/1416266889.db2.gz DXQQQTLKKUTNTG-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001568025051 1416364629 /nfs/dbraw/zinc/36/46/29/1416364629.db2.gz PJTLAOASMBVPKN-IBGZPJMESA-N 2 0 335.536 2.949 10 30 EFEERP C=CC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@@H]1C ZINC001568044050 1416374364 /nfs/dbraw/zinc/37/43/64/1416374364.db2.gz SHDGHXKCHVDZIG-PXNSSMCTSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001568060443 1416385467 /nfs/dbraw/zinc/38/54/67/1416385467.db2.gz MFQGZURLQMXSQT-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001568061774 1416386705 /nfs/dbraw/zinc/38/67/05/1416386705.db2.gz PANODYVGDMMZKD-SFHVURJKSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001568127063 1416420169 /nfs/dbraw/zinc/42/01/69/1416420169.db2.gz ZJORUIOGJQYEQO-OALUTQOASA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001568127062 1416420203 /nfs/dbraw/zinc/42/02/03/1416420203.db2.gz ZJORUIOGJQYEQO-MOPGFXCFSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001568126704 1416420268 /nfs/dbraw/zinc/42/02/68/1416420268.db2.gz NHIYBVQNKSDFQD-UHFFFAOYSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001568131924 1416421868 /nfs/dbraw/zinc/42/18/68/1416421868.db2.gz AUNBBISYRYUTSJ-LJQANCHMSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001568252832 1416456538 /nfs/dbraw/zinc/45/65/38/1416456538.db2.gz REDXXKHKMFZRAN-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001568358032 1416490504 /nfs/dbraw/zinc/49/05/04/1416490504.db2.gz AYQLESIDWFQKTE-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001690009426 1417129967 /nfs/dbraw/zinc/12/99/67/1417129967.db2.gz VXQDMCYEWXBZMA-MOPGFXCFSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001690356618 1417195501 /nfs/dbraw/zinc/19/55/01/1417195501.db2.gz PHMSNZSCMDOPKL-GGXPGOJBSA-N 2 0 339.499 2.790 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001690436390 1417214616 /nfs/dbraw/zinc/21/46/16/1417214616.db2.gz MNDUMTNQRYXJIE-MRXNPFEDSA-N 2 0 333.476 2.749 10 30 EFEERP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001690640696 1417223624 /nfs/dbraw/zinc/22/36/24/1417223624.db2.gz YSIKIAIAXOYABP-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001692017138 1417253565 /nfs/dbraw/zinc/25/35/65/1417253565.db2.gz UMDGYJLDESNOJP-UHFFFAOYSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692117737 1417254272 /nfs/dbraw/zinc/25/42/72/1417254272.db2.gz ASXGJMYOIXRFEM-RTBURBONSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001692335920 1417279578 /nfs/dbraw/zinc/27/95/78/1417279578.db2.gz BDODQDDDRPPMGH-WOJBJXKFSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001698700580 1417312665 /nfs/dbraw/zinc/31/26/65/1417312665.db2.gz VKGHWUITXNDEEG-LJQANCHMSA-N 2 0 343.515 2.809 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001698719444 1417320347 /nfs/dbraw/zinc/32/03/47/1417320347.db2.gz DZBPLXJUNZQBBC-UHFFFAOYSA-N 2 0 329.488 2.700 10 30 EFEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001698951872 1417355380 /nfs/dbraw/zinc/35/53/80/1417355380.db2.gz MDZLKNVWQNDQLC-FQEVSTJZSA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699033506 1417378060 /nfs/dbraw/zinc/37/80/60/1417378060.db2.gz ZYJOTNOMKARURL-OALUTQOASA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001699672992 1417446404 /nfs/dbraw/zinc/44/64/04/1417446404.db2.gz IETCJOMIFDXTGQ-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCCCCC ZINC001699682621 1417449424 /nfs/dbraw/zinc/44/94/24/1417449424.db2.gz PTZUHFUUCKXDIZ-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001699792914 1417470433 /nfs/dbraw/zinc/47/04/33/1417470433.db2.gz QVQABKOHARTRAL-LJQANCHMSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001699852159 1417479124 /nfs/dbraw/zinc/47/91/24/1417479124.db2.gz TWPXSOJMJNEPJN-HXUWFJFHSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699868125 1417486455 /nfs/dbraw/zinc/48/64/55/1417486455.db2.gz IULDZEVZSKMTHU-OAQYLSRUSA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1CC ZINC001699931707 1417511593 /nfs/dbraw/zinc/51/15/93/1417511593.db2.gz FEVRVDUAPFCNHP-LJQANCHMSA-N 2 0 341.499 2.504 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001699944104 1417517323 /nfs/dbraw/zinc/51/73/23/1417517323.db2.gz KNSAYEUCEMJESP-ICSRJNTNSA-N 2 0 343.515 2.564 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709780 1417625563 /nfs/dbraw/zinc/62/55/63/1417625563.db2.gz VTMKNFCVWODEPW-ZWKOTPCHSA-N 2 0 349.906 2.918 10 30 EFEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713132576 1418334950 /nfs/dbraw/zinc/33/49/50/1418334950.db2.gz BJKKRQMHMAKVMV-QUCCMNQESA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713278472 1418447772 /nfs/dbraw/zinc/44/77/72/1418447772.db2.gz SHNVBPSLLVMQAF-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001713287245 1418455499 /nfs/dbraw/zinc/45/54/99/1418455499.db2.gz VILDGLPMFFPROE-VIQWUECVSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001713396247 1418506078 /nfs/dbraw/zinc/50/60/78/1418506078.db2.gz AOCOFWALBNOKNK-FQEVSTJZSA-N 2 0 343.515 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCCC(C)(C)C)CC1 ZINC001713497428 1418552050 /nfs/dbraw/zinc/55/20/50/1418552050.db2.gz MONNZEMZQSEZRF-UHFFFAOYSA-N 2 0 335.536 2.596 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001714138785 1418584255 /nfs/dbraw/zinc/58/42/55/1418584255.db2.gz VNBBOLRXUXCVGU-PMACEKPBSA-N 2 0 341.499 2.673 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001714319525 1418600021 /nfs/dbraw/zinc/60/00/21/1418600021.db2.gz IYPAPWHSFYRIHB-FQEVSTJZSA-N 2 0 341.499 2.700 10 30 EFEERP CC#CC[NH+]1CCC(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001714327480 1418601773 /nfs/dbraw/zinc/60/17/73/1418601773.db2.gz YYSBGUOYTKIGEG-UHFFFAOYSA-N 2 0 347.528 2.665 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001715417561 1418674469 /nfs/dbraw/zinc/67/44/69/1418674469.db2.gz NCDHJCZGCQOGSJ-FXAWDEMLSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001715543909 1418678035 /nfs/dbraw/zinc/67/80/35/1418678035.db2.gz BNUMGDGFQSMAGH-OALUTQOASA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001716175642 1418714577 /nfs/dbraw/zinc/71/45/77/1418714577.db2.gz UPKACPIRXOKLDL-RLLQIKCJSA-N 2 0 343.515 2.782 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001716715259 1418970480 /nfs/dbraw/zinc/97/04/80/1418970480.db2.gz QSIYEBNTQUBKDJ-GOSISDBHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001716724211 1418975471 /nfs/dbraw/zinc/97/54/71/1418975471.db2.gz CPNBLSXRQJDFSA-QUCCMNQESA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH+]1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001716728748 1418978778 /nfs/dbraw/zinc/97/87/78/1418978778.db2.gz YWILAKCKSCQOOL-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001716731881 1418982256 /nfs/dbraw/zinc/98/22/56/1418982256.db2.gz QCZBWMNFMBZREE-MJGOQNOKSA-N 2 0 339.499 2.557 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716777751 1419003942 /nfs/dbraw/zinc/00/39/42/1419003942.db2.gz VMFWTLSPAYQOAF-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716806789 1419021187 /nfs/dbraw/zinc/02/11/87/1419021187.db2.gz JLUFMDUPQFUCHM-UHFFFAOYSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001716811699 1419024606 /nfs/dbraw/zinc/02/46/06/1419024606.db2.gz JHDOWIDIHRIACF-UHFFFAOYSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCCC)CC1 ZINC001716811883 1419025560 /nfs/dbraw/zinc/02/55/60/1419025560.db2.gz QFKSFCXCLFEPQI-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001716822371 1419031962 /nfs/dbraw/zinc/03/19/62/1419031962.db2.gz KTNJUAHXDPIOSP-OALUTQOASA-N 2 0 333.520 2.537 10 30 EFEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001716885611 1419074766 /nfs/dbraw/zinc/07/47/66/1419074766.db2.gz XWWIGEAJNTWWGX-LJQANCHMSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001716889562 1419077120 /nfs/dbraw/zinc/07/71/20/1419077120.db2.gz ORLBBTVHZAUYBB-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716900707 1419086729 /nfs/dbraw/zinc/08/67/29/1419086729.db2.gz SHWMGBDFMVAEJU-NRFANRHFSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901122 1419087151 /nfs/dbraw/zinc/08/71/51/1419087151.db2.gz BIJNFLQDPQUAOS-PKOBYXMFSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001716901897 1419087598 /nfs/dbraw/zinc/08/75/98/1419087598.db2.gz RRPWEKMIFIKWSR-PMACEKPBSA-N 2 0 333.520 2.657 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717002447 1419137937 /nfs/dbraw/zinc/13/79/37/1419137937.db2.gz ULABHOOFQYEZLM-UAFMIMERSA-N 2 0 345.531 2.539 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001717003338 1419138939 /nfs/dbraw/zinc/13/89/39/1419138939.db2.gz VWVJBHLSPWWRKE-GUDVDZBRSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001717006339 1419142145 /nfs/dbraw/zinc/14/21/45/1419142145.db2.gz LBZGSKXLZQFFKQ-HDICACEKSA-N 2 0 329.488 2.664 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001717034114 1419165681 /nfs/dbraw/zinc/16/56/81/1419165681.db2.gz ZLMUTLOMXBLQAX-GBESFXJTSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717106277 1419212008 /nfs/dbraw/zinc/21/20/08/1419212008.db2.gz MFRWGQXHJMDWRT-UYAOXDASSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[N@@H+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717115924 1419219774 /nfs/dbraw/zinc/21/97/74/1419219774.db2.gz GWUGFFHHWNTXMJ-UHFFFAOYSA-N 2 0 341.499 2.797 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001717128754 1419227885 /nfs/dbraw/zinc/22/78/85/1419227885.db2.gz LSEDIDJBRFYFHS-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001717130320 1419228676 /nfs/dbraw/zinc/22/86/76/1419228676.db2.gz PYIHZYBKRPYQLW-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001717199694 1419261649 /nfs/dbraw/zinc/26/16/49/1419261649.db2.gz RJPKHSPCAJYIHI-HXUWFJFHSA-N 2 0 343.515 2.708 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001717216482 1419270096 /nfs/dbraw/zinc/27/00/96/1419270096.db2.gz JIRMXMSYIUMMSU-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001717217731 1419270856 /nfs/dbraw/zinc/27/08/56/1419270856.db2.gz UQXXBYLPKNMEQB-UXHICEINSA-N 2 0 347.547 2.692 10 30 EFEERP CC#CC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001717217733 1419271075 /nfs/dbraw/zinc/27/10/75/1419271075.db2.gz UQXXBYLPKNMEQB-WOJBJXKFSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001717245015 1419287093 /nfs/dbraw/zinc/28/70/93/1419287093.db2.gz LUCRRJOSUGJMIN-FQEVSTJZSA-N 2 0 343.515 2.838 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001717285152 1419307958 /nfs/dbraw/zinc/30/79/58/1419307958.db2.gz ZUKLCZMELRXKQU-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001717302992 1419316227 /nfs/dbraw/zinc/31/62/27/1419316227.db2.gz YNAIXQJEFULUTL-UHFFFAOYSA-N 2 0 329.488 2.909 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001717309181 1419320670 /nfs/dbraw/zinc/32/06/70/1419320670.db2.gz GZPFIDOZJFGHMK-QZTJIDSGSA-N 2 0 333.520 2.511 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717357631 1419352441 /nfs/dbraw/zinc/35/24/41/1419352441.db2.gz YNLOIWQKCWBAIV-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001717361190 1419354447 /nfs/dbraw/zinc/35/44/47/1419354447.db2.gz HQWOKLNFTPQIFX-OZOXKJRCSA-N 2 0 341.499 2.666 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001717361455 1419355034 /nfs/dbraw/zinc/35/50/34/1419355034.db2.gz SMJBEFIKPBVGAQ-TZIWHRDSSA-N 2 0 341.499 2.666 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001717371743 1419364977 /nfs/dbraw/zinc/36/49/77/1419364977.db2.gz VQINVLNLZCQLNE-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@@H](C)CCC=C)CC1 ZINC001717376570 1419368083 /nfs/dbraw/zinc/36/80/83/1419368083.db2.gz UCCICDXJBDEWOD-AZUAARDMSA-N 2 0 345.531 2.609 10 30 EFEERP C=CCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001717584182 1419456173 /nfs/dbraw/zinc/45/61/73/1419456173.db2.gz SAZCWOZUIAGDGN-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001717628698 1419477297 /nfs/dbraw/zinc/47/72/97/1419477297.db2.gz DFTYKSANRRYYJM-INIZCTEOSA-N 2 0 330.476 2.621 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001717630530 1419478515 /nfs/dbraw/zinc/47/85/15/1419478515.db2.gz UNJQCEGTXBUQJG-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717684400 1419504719 /nfs/dbraw/zinc/50/47/19/1419504719.db2.gz LXEBHTALTFUELA-YJBOKZPZSA-N 2 0 327.488 2.650 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001717700722 1419514894 /nfs/dbraw/zinc/51/48/94/1419514894.db2.gz DPQKCRDZKTXXAP-QGZVFWFLSA-N 2 0 327.488 2.555 10 30 EFEERP C=CC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717705973 1419518941 /nfs/dbraw/zinc/51/89/41/1419518941.db2.gz YUXFNHFRBJXHOQ-IBGZPJMESA-N 2 0 329.488 2.788 10 30 EFEERP C=CC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717705974 1419518963 /nfs/dbraw/zinc/51/89/63/1419518963.db2.gz YUXFNHFRBJXHOQ-LJQANCHMSA-N 2 0 329.488 2.788 10 30 EFEERP C=CC[NH2+]CCC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001717717169 1419523901 /nfs/dbraw/zinc/52/39/01/1419523901.db2.gz QYTAOHFCNVKVKR-VQTJNVASSA-N 2 0 341.499 2.742 10 30 EFEERP C=CC[NH2+]CCC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001717717168 1419523926 /nfs/dbraw/zinc/52/39/26/1419523926.db2.gz QYTAOHFCNVKVKR-UXHICEINSA-N 2 0 341.499 2.742 10 30 EFEERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001717740979 1419532036 /nfs/dbraw/zinc/53/20/36/1419532036.db2.gz JQNNSWJYLDFWQA-AZUAARDMSA-N 2 0 343.515 2.595 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001717821887 1419557588 /nfs/dbraw/zinc/55/75/88/1419557588.db2.gz KTXQOUKNEYRNFV-XLIONFOSSA-N 2 0 343.515 2.950 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001717848129 1419576579 /nfs/dbraw/zinc/57/65/79/1419576579.db2.gz WQJBGOITOUGZAC-GUDVDZBRSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001717882274 1419600692 /nfs/dbraw/zinc/60/06/92/1419600692.db2.gz BBSPBNVMCKUVHR-PKOBYXMFSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001717897921 1419608286 /nfs/dbraw/zinc/60/82/86/1419608286.db2.gz XPVBSWAURFEOKE-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001717964549 1419631879 /nfs/dbraw/zinc/63/18/79/1419631879.db2.gz YIJYHLBODQLITJ-QGZVFWFLSA-N 2 0 335.536 2.642 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001723204045 1424451513 /nfs/dbraw/zinc/45/15/13/1424451513.db2.gz NQRRKQCAXYXZJK-INIZCTEOSA-N 2 0 329.916 2.688 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001723551293 1424522005 /nfs/dbraw/zinc/52/20/05/1424522005.db2.gz BYMLPUXRDIGRKJ-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605594 1424530780 /nfs/dbraw/zinc/53/07/80/1424530780.db2.gz AFVCEKNABRTJKI-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608672 1424532626 /nfs/dbraw/zinc/53/26/26/1424532626.db2.gz RLEYVBVRCSNNBN-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001723608894 1424533662 /nfs/dbraw/zinc/53/36/62/1424533662.db2.gz SQRRVWUMZXSBRD-OALUTQOASA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723609712 1424535421 /nfs/dbraw/zinc/53/54/21/1424535421.db2.gz WGKJMARVSAJVAF-OALUTQOASA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001723610584 1424536877 /nfs/dbraw/zinc/53/68/77/1424536877.db2.gz ZWWIRBYPYPBTRE-RTBURBONSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001723646809 1424545102 /nfs/dbraw/zinc/54/51/02/1424545102.db2.gz BGNXXYOVMWJCKI-VQTJNVASSA-N 2 0 347.547 2.996 10 30 EFEERP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001723721577 1424568288 /nfs/dbraw/zinc/56/82/88/1424568288.db2.gz NOMCXBODARTBFW-PZJWPPBQSA-N 2 0 341.499 2.790 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727272 1424571367 /nfs/dbraw/zinc/57/13/67/1424571367.db2.gz QPMHOSZICFGBFZ-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724046177 1424633479 /nfs/dbraw/zinc/63/34/79/1424633479.db2.gz CKKSPVZQTPHGEM-HXUWFJFHSA-N 2 0 345.531 2.752 10 30 EFEERP C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](CCC)CC1 ZINC001724054288 1424638505 /nfs/dbraw/zinc/63/85/05/1424638505.db2.gz YQVQPPRKPBNJJT-UHFFFAOYSA-N 2 0 347.547 2.977 10 30 EFEERP C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCC)CC1 ZINC001724060131 1424640396 /nfs/dbraw/zinc/64/03/96/1424640396.db2.gz PHWFYYIJHIVASD-SFHVURJKSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCC(=C)C)CC1 ZINC001724065306 1424644585 /nfs/dbraw/zinc/64/45/85/1424644585.db2.gz SDNNBMINWVCUQN-UHFFFAOYSA-N 2 0 345.531 2.755 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC001724102858 1424659553 /nfs/dbraw/zinc/65/95/53/1424659553.db2.gz MLAHFVRFTJCEKZ-IBGZPJMESA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001724126391 1424668686 /nfs/dbraw/zinc/66/86/86/1424668686.db2.gz SGSPQEDITNWABU-NRFANRHFSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001724332690 1424738479 /nfs/dbraw/zinc/73/84/79/1424738479.db2.gz JJCPKHFZRJWHCS-NRFANRHFSA-N 2 0 343.515 2.565 10 30 EFEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001724376434 1424750829 /nfs/dbraw/zinc/75/08/29/1424750829.db2.gz QXTODULVSIBCGZ-JKSUJKDBSA-N 2 0 343.462 2.510 10 30 EFEERP C=C(C)C[NH+]1C2CCC1CC(CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001724600333 1424815834 /nfs/dbraw/zinc/81/58/34/1424815834.db2.gz OAJNSVOUBYZNAF-REPLKXPHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001724613034 1424833027 /nfs/dbraw/zinc/83/30/27/1424833027.db2.gz WYCFTWSMMRTERG-PKOBYXMFSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724614458 1424835266 /nfs/dbraw/zinc/83/52/66/1424835266.db2.gz QMPCITFNQUURLR-FHWLQOOXSA-N 2 0 347.547 2.949 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001724619306 1424844380 /nfs/dbraw/zinc/84/43/80/1424844380.db2.gz DJHJGEXAFOBJHG-HXUWFJFHSA-N 2 0 341.499 2.523 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001724649188 1424879981 /nfs/dbraw/zinc/87/99/81/1424879981.db2.gz LJYCZKNSCLVLET-GUDVDZBRSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001724653941 1424886164 /nfs/dbraw/zinc/88/61/64/1424886164.db2.gz XADMVNRKYCPSQJ-OALUTQOASA-N 2 0 333.520 2.894 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654808 1424887962 /nfs/dbraw/zinc/88/79/62/1424887962.db2.gz JVJTUWJLVHVEAU-QZTJIDSGSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001724655822 1424891942 /nfs/dbraw/zinc/89/19/42/1424891942.db2.gz MSJOXJNJIPRZEP-RBUKOAKNSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659497 1424900501 /nfs/dbraw/zinc/90/05/01/1424900501.db2.gz VNSORSZHMJGIGK-PMACEKPBSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001724660197 1424901137 /nfs/dbraw/zinc/90/11/37/1424901137.db2.gz YSVJAJOAHRMZIS-SLFFLAALSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001724660357 1424901181 /nfs/dbraw/zinc/90/11/81/1424901181.db2.gz XKCZSWKGNBHHPO-CEXWTWQISA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001724738552 1424964505 /nfs/dbraw/zinc/96/45/05/1424964505.db2.gz NDPKLGWYHVNTMN-LJQANCHMSA-N 2 0 331.504 2.897 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724753719 1424983404 /nfs/dbraw/zinc/98/34/04/1424983404.db2.gz CVZAMZWMBPQRCB-MKXGPGLRSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001724902808 1425122198 /nfs/dbraw/zinc/12/21/98/1425122198.db2.gz YVYHGBCRTJBEEP-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001724902805 1425122591 /nfs/dbraw/zinc/12/25/91/1425122591.db2.gz YVYHGBCRTJBEEP-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001724948993 1425157177 /nfs/dbraw/zinc/15/71/77/1425157177.db2.gz QUWPBEAONLCTSJ-QFBILLFUSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001724959204 1425166740 /nfs/dbraw/zinc/16/67/40/1425166740.db2.gz PDLCCMPHYSCMFO-UHFFFAOYSA-N 2 0 343.515 2.951 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001724970464 1425180764 /nfs/dbraw/zinc/18/07/64/1425180764.db2.gz LAOJRSKQIRJUHT-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C[C@@H]1C ZINC001724997965 1425208339 /nfs/dbraw/zinc/20/83/39/1425208339.db2.gz BLDACGAKVDQZBL-DOTOQJQBSA-N 2 0 332.492 2.976 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000084 1425212781 /nfs/dbraw/zinc/21/27/81/1425212781.db2.gz FZNAXQLTPMOBNX-QUCCMNQESA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001725025633 1425236210 /nfs/dbraw/zinc/23/62/10/1425236210.db2.gz HZQOGSOXJZSKNR-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001725026360 1425236738 /nfs/dbraw/zinc/23/67/38/1425236738.db2.gz RETYUYAOKPTVHX-NRFANRHFSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001725027034 1425238419 /nfs/dbraw/zinc/23/84/19/1425238419.db2.gz OCSFHQBBJMPWEP-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001725031920 1425241828 /nfs/dbraw/zinc/24/18/28/1425241828.db2.gz FFQASDRWKOLIDA-VAMGGRTRSA-N 2 0 341.499 2.809 10 30 EFEERP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001725050620 1425261576 /nfs/dbraw/zinc/26/15/76/1425261576.db2.gz BKPBULAHGMYCQR-WOJBJXKFSA-N 2 0 341.499 2.626 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725058996 1425270679 /nfs/dbraw/zinc/27/06/79/1425270679.db2.gz NEAZZRVBCOHGAZ-MOPGFXCFSA-N 2 0 347.547 2.855 10 30 EFEERP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001725213033 1425382159 /nfs/dbraw/zinc/38/21/59/1425382159.db2.gz IHMBCNVHUQOWKF-QFBILLFUSA-N 2 0 341.515 2.848 10 30 EFEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001725270979 1425427802 /nfs/dbraw/zinc/42/78/02/1425427802.db2.gz XPHUUYAIAZTUGZ-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001725338201 1425484382 /nfs/dbraw/zinc/48/43/82/1425484382.db2.gz ZWUPVIQOESYJFV-OTWHNJEPSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001725345192 1425493447 /nfs/dbraw/zinc/49/34/47/1425493447.db2.gz IDMHIYYTAQLENO-OYRHEFFESA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725417461 1425561359 /nfs/dbraw/zinc/56/13/59/1425561359.db2.gz PELMCXUSLOZVNW-YOEHRIQHSA-N 2 0 347.906 2.826 10 30 EFEERP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001725442727 1425584705 /nfs/dbraw/zinc/58/47/05/1425584705.db2.gz LYBNQNDTDLZMJD-UYAOXDASSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001725585032 1425670223 /nfs/dbraw/zinc/67/02/23/1425670223.db2.gz NPAVYIVCSRXWMH-QFBILLFUSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001725784190 1425849743 /nfs/dbraw/zinc/84/97/43/1425849743.db2.gz XHDIVCBOOIPBBB-GJZGRUSLSA-N 2 0 349.441 2.663 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001725788308 1425852992 /nfs/dbraw/zinc/85/29/92/1425852992.db2.gz XMVFSFFSTQVHNO-UHFFFAOYSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001731295422 1426372720 /nfs/dbraw/zinc/37/27/20/1426372720.db2.gz NWYXOWORUFQMHQ-KXBFYZLASA-N 2 0 338.455 2.639 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001731295416 1426372744 /nfs/dbraw/zinc/37/27/44/1426372744.db2.gz NWYXOWORUFQMHQ-BEFAXECRSA-N 2 0 338.455 2.639 10 30 EFEERP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000262010604 722711128 /nfs/dbraw/zinc/71/11/28/722711128.db2.gz WMMFUPDNQXWVEY-DNVCBOLYSA-N 2 0 344.503 2.501 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896208374 723192174 /nfs/dbraw/zinc/19/21/74/723192174.db2.gz FSUNUWDOJNZWNU-PMACEKPBSA-N 2 0 341.499 2.836 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000908457366 727194030 /nfs/dbraw/zinc/19/40/30/727194030.db2.gz MVIOQGJPNKZKMY-QGZVFWFLSA-N 2 0 335.517 2.635 10 30 EFEERP COc1ccc(CCNC(NC[C@@H]2CCC[N@@H+]2C)=[NH+]C(C)(C)C)cc1 ZINC000912509499 727719582 /nfs/dbraw/zinc/71/95/82/727719582.db2.gz IQKFMIHJLVSZCZ-KRWDZBQOSA-N 2 0 346.519 2.666 10 30 EFEERP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940971718 728344528 /nfs/dbraw/zinc/34/45/28/728344528.db2.gz ARJYTGHRDJKTSW-MOPGFXCFSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979391 728347526 /nfs/dbraw/zinc/34/75/26/728347526.db2.gz IGHPUBGWLUEXQK-JYJNAYRXSA-N 2 0 341.927 2.686 10 30 EFEERP CC[NH+]=C(NC[C@@H]1CCO[C@H]1c1ccccc1)NCC(C)(C)[NH+](C)C ZINC000170650683 728461573 /nfs/dbraw/zinc/46/15/73/728461573.db2.gz AZGMSLONOUCYSM-ROUUACIJSA-N 2 0 346.519 2.660 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001569431735 1085200368 /nfs/dbraw/zinc/20/03/68/1085200368.db2.gz BLBKOOFKWHENFE-UHFFFAOYSA-N 2 0 345.531 2.540 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001569451532 1085236270 /nfs/dbraw/zinc/23/62/70/1085236270.db2.gz AXMBMNOJFFDFJH-FQEVSTJZSA-N 2 0 347.547 2.996 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001569452257 1085238661 /nfs/dbraw/zinc/23/86/61/1085238661.db2.gz SAROZSQIAOTSML-WMZOPIPTSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001569479567 1085287484 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CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001569998842 1085841623 /nfs/dbraw/zinc/84/16/23/1085841623.db2.gz VEMQTJYKJUDVSL-AZUAARDMSA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031449 1085883151 /nfs/dbraw/zinc/88/31/51/1085883151.db2.gz PJEASIYADXZDLP-FXAWDEMLSA-N 2 0 341.499 2.850 10 30 EFEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001570032786 1085885256 /nfs/dbraw/zinc/88/52/56/1085885256.db2.gz CSQRXTUTTOPHNN-MRXNPFEDSA-N 2 0 327.472 2.625 10 30 EFEERP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001570032785 1085886024 /nfs/dbraw/zinc/88/60/24/1085886024.db2.gz CSQRXTUTTOPHNN-INIZCTEOSA-N 2 0 327.472 2.625 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001570039601 1085895021 /nfs/dbraw/zinc/89/50/21/1085895021.db2.gz SMFVPCIHKQQFJQ-IYARVYRRSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001570219634 1086060099 /nfs/dbraw/zinc/06/00/99/1086060099.db2.gz FEMFAQJFQOCLBH-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220874 1086062285 /nfs/dbraw/zinc/06/22/85/1086062285.db2.gz XWCTWEDVFOOFKM-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001570266928 1086099120 /nfs/dbraw/zinc/09/91/20/1086099120.db2.gz FCWYLYVBYQXWAP-LJQANCHMSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001570269567 1086104485 /nfs/dbraw/zinc/10/44/85/1086104485.db2.gz XWJCIDWMZWYLFK-FQEVSTJZSA-N 2 0 343.515 2.838 10 30 EFEERP C=CCCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001570269002 1086105069 /nfs/dbraw/zinc/10/50/69/1086105069.db2.gz MMTAXTVTKQBHOZ-WOJBJXKFSA-N 2 0 341.499 2.590 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001570357466 1086165746 /nfs/dbraw/zinc/16/57/46/1086165746.db2.gz YARLOGWRBNHIGY-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001570380900 1086183567 /nfs/dbraw/zinc/18/35/67/1086183567.db2.gz OKEAYTQPRKMEPL-LJQANCHMSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001570476437 1086265965 /nfs/dbraw/zinc/26/59/65/1086265965.db2.gz CGMGXSUKDFITDX-VQTJNVASSA-N 2 0 341.499 2.762 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001570504880 1086293983 /nfs/dbraw/zinc/29/39/83/1086293983.db2.gz YJWDQULASPOAOF-FQEVSTJZSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001570544568 1086340662 /nfs/dbraw/zinc/34/06/62/1086340662.db2.gz YVQNZUONIJYCAH-LJQANCHMSA-N 2 0 333.520 2.607 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641509 1086430101 /nfs/dbraw/zinc/43/01/01/1086430101.db2.gz MTNTWQKYPFJCHV-CVEARBPZSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001570653293 1086437394 /nfs/dbraw/zinc/43/73/94/1086437394.db2.gz PKACBCCWOQPPPO-ROUUACIJSA-N 2 0 347.547 2.785 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001570777009 1086512480 /nfs/dbraw/zinc/51/24/80/1086512480.db2.gz GQKHZDAONUQPCQ-OALUTQOASA-N 2 0 335.536 2.593 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001570777010 1086512858 /nfs/dbraw/zinc/51/28/58/1086512858.db2.gz GQKHZDAONUQPCQ-RBUKOAKNSA-N 2 0 335.536 2.593 10 30 EFEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001570777874 1086513620 /nfs/dbraw/zinc/51/36/20/1086513620.db2.gz XUFROARSBHOYAM-IBGZPJMESA-N 2 0 340.471 2.742 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001570777875 1086514259 /nfs/dbraw/zinc/51/42/59/1086514259.db2.gz XUFROARSBHOYAM-LJQANCHMSA-N 2 0 340.471 2.742 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001570905405 1086605478 /nfs/dbraw/zinc/60/54/78/1086605478.db2.gz SIIKXFDQVHCPEX-SJLPKXTDSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001571022486 1086645635 /nfs/dbraw/zinc/64/56/35/1086645635.db2.gz MZLBASGUAYIIHC-OTWHNJEPSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001571038364 1086651274 /nfs/dbraw/zinc/65/12/74/1086651274.db2.gz FMOQDHAMNVZSNW-GOSISDBHSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001571036132 1086651697 /nfs/dbraw/zinc/65/16/97/1086651697.db2.gz SCVDFRYQOQHBJK-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571067997 1086658891 /nfs/dbraw/zinc/65/88/91/1086658891.db2.gz CMNJCXZQFFAYMV-BWPNAZKDSA-N 2 0 335.536 2.852 10 30 EFEERP C[C@H](CCC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CC[NH+](C)C ZINC001571305309 1086706765 /nfs/dbraw/zinc/70/67/65/1086706765.db2.gz YJRICWFZOTYFQM-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571337546 1086737316 /nfs/dbraw/zinc/73/73/16/1086737316.db2.gz MACWAKBDLGERPS-LJQANCHMSA-N 2 0 329.488 2.523 10 30 EFEERP CC#CC[NH2+]CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001571347345 1086745377 /nfs/dbraw/zinc/74/53/77/1086745377.db2.gz RGVCZGXRECYWGG-ICSRJNTNSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001571508768 1086914783 /nfs/dbraw/zinc/91/47/83/1086914783.db2.gz JMITZNMWZLEGKS-FGTMMUONSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001571571818 1086971678 /nfs/dbraw/zinc/97/16/78/1086971678.db2.gz IAXNHVYCBDEPLK-CABCVRRESA-N 2 0 349.441 2.519 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001571629798 1087000077 /nfs/dbraw/zinc/00/00/77/1087000077.db2.gz SBBCQTLFNGGLKU-SFHVURJKSA-N 2 0 335.536 2.785 10 30 EFEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001571649090 1087018963 /nfs/dbraw/zinc/01/89/63/1087018963.db2.gz RGAZGNHXLKCMHC-SFHVURJKSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001571700613 1087072487 /nfs/dbraw/zinc/07/24/87/1087072487.db2.gz JEFBEZWYJXGKCS-LJQANCHMSA-N 2 0 333.520 2.821 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001584625342 1092222652 /nfs/dbraw/zinc/22/26/52/1092222652.db2.gz PZFJSOFEWJMWIW-HXUWFJFHSA-N 2 0 343.515 2.863 10 30 EFEERP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001649435027 1092454253 /nfs/dbraw/zinc/45/42/53/1092454253.db2.gz LPPKFYVRFZKYBO-MOPGFXCFSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267048116 1092459538 /nfs/dbraw/zinc/45/95/38/1092459538.db2.gz SBQAEMFWSBQNQK-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001649461655 1092496733 /nfs/dbraw/zinc/49/67/33/1092496733.db2.gz GAKUSUINRQZLFS-UXHICEINSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001649470325 1092512024 /nfs/dbraw/zinc/51/20/24/1092512024.db2.gz ITXNCVDPMFUULG-KRWDZBQOSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001279585500 1092908147 /nfs/dbraw/zinc/90/81/47/1092908147.db2.gz CELODGVADQRTGC-OALUTQOASA-N 2 0 333.520 2.894 10 30 EFEERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267151890 1092929968 /nfs/dbraw/zinc/92/99/68/1092929968.db2.gz FKTSFNLVJOWQCF-MAUKXSAKSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267163871 1093010600 /nfs/dbraw/zinc/01/06/00/1093010600.db2.gz BJJPNPYDQVQLJB-DLBZAZTESA-N 2 0 341.927 2.973 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267200342 1093173675 /nfs/dbraw/zinc/17/36/75/1093173675.db2.gz BTQHMVUXQQZIFN-DNVCBOLYSA-N 2 0 339.499 2.602 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001267200341 1093174041 /nfs/dbraw/zinc/17/40/41/1093174041.db2.gz BTQHMVUXQQZIFN-BEFAXECRSA-N 2 0 339.499 2.602 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250160 1093366923 /nfs/dbraw/zinc/36/69/23/1093366923.db2.gz HKOYKOZWJMQWND-LPHOPBHVSA-N 2 0 341.515 2.992 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001267346846 1093633745 /nfs/dbraw/zinc/63/37/45/1093633745.db2.gz XHHRQMGODGCSEV-UXHICEINSA-N 2 0 341.499 2.674 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001267370755 1094338929 /nfs/dbraw/zinc/33/89/29/1094338929.db2.gz UASRXHZONFNIMH-IBGZPJMESA-N 2 0 329.488 2.742 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001267378328 1094387490 /nfs/dbraw/zinc/38/74/90/1094387490.db2.gz ZXMPZVJRVPYGAQ-NRFANRHFSA-N 2 0 349.478 2.832 10 30 EFEERP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001267604126 1094413510 /nfs/dbraw/zinc/41/35/10/1094413510.db2.gz KAIPVUIFEWVVIA-HDICACEKSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001597834899 1094629723 /nfs/dbraw/zinc/62/97/23/1094629723.db2.gz GAPBOCIVUVPUIL-UHFFFAOYSA-N 2 0 329.488 2.797 10 30 EFEERP C=C(C[NH+](C)C)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC001598152577 1094660245 /nfs/dbraw/zinc/66/02/45/1094660245.db2.gz OOTUWIRMIWZUMP-UHFFFAOYSA-N 2 0 333.501 2.600 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001268041300 1094682890 /nfs/dbraw/zinc/68/28/90/1094682890.db2.gz RNXFCVDOEGVLQA-UHFFFAOYSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccnc2C(C)C)C1 ZINC001267481396 1094851999 /nfs/dbraw/zinc/85/19/99/1094851999.db2.gz IHXXKUFBFVYWRL-QGZVFWFLSA-N 2 0 332.492 2.896 10 30 EFEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2ccnc2C(C)C)C1 ZINC001267481394 1094853820 /nfs/dbraw/zinc/85/38/20/1094853820.db2.gz IHXXKUFBFVYWRL-KRWDZBQOSA-N 2 0 332.492 2.896 10 30 EFEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267487138 1094908323 /nfs/dbraw/zinc/90/83/23/1094908323.db2.gz ATEHUXXPGXKILY-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001267518884 1095199474 /nfs/dbraw/zinc/19/94/74/1095199474.db2.gz DWBFBWBCZZHRII-PMACEKPBSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001267520527 1095219515 /nfs/dbraw/zinc/21/95/15/1095219515.db2.gz QVRPQJWKRMFQSU-MOPGFXCFSA-N 2 0 329.488 2.884 10 30 EFEERP CC#CCN[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267522450 1095243381 /nfs/dbraw/zinc/24/33/81/1095243381.db2.gz GRANKSAMIKSPRU-PMACEKPBSA-N 2 0 341.499 2.720 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCC=C)CC2)CC1 ZINC001279111898 1095364549 /nfs/dbraw/zinc/36/45/49/1095364549.db2.gz RPMVHEFSKWMRDX-GOSISDBHSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267666149 1095383066 /nfs/dbraw/zinc/38/30/66/1095383066.db2.gz QQGFSMWNWRBRAG-SFHVURJKSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001268121891 1095411562 /nfs/dbraw/zinc/41/15/62/1095411562.db2.gz UZMCIZOPPZZEFF-IPMKNSEASA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001267550508 1095471216 /nfs/dbraw/zinc/47/12/16/1095471216.db2.gz YAEYFCCVNOOREV-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001267715543 1095618282 /nfs/dbraw/zinc/61/82/82/1095618282.db2.gz AJXWSFVAUGRPRP-OALUTQOASA-N 2 0 333.520 2.894 10 30 EFEERP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267575147 1095790833 /nfs/dbraw/zinc/79/08/33/1095790833.db2.gz CWCJFXGMETZVIJ-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001268187387 1096053203 /nfs/dbraw/zinc/05/32/03/1096053203.db2.gz DJKWKMOJKKWCQJ-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C[C@@H](C)CC)CC1 ZINC001268199061 1096086014 /nfs/dbraw/zinc/08/60/14/1096086014.db2.gz CQKDBMQGSGVEQL-ICSRJNTNSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001267601576 1096198166 /nfs/dbraw/zinc/19/81/66/1096198166.db2.gz PQAXLOFQNBHCHV-MOPGFXCFSA-N 2 0 333.520 2.750 10 30 EFEERP C#CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001268267656 1096214589 /nfs/dbraw/zinc/21/45/89/1096214589.db2.gz OKNFEZOHURKZJU-AZUAARDMSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001268273516 1096231152 /nfs/dbraw/zinc/23/11/52/1096231152.db2.gz YQYXTHWVXZIDOQ-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001268393602 1096481019 /nfs/dbraw/zinc/48/10/19/1096481019.db2.gz KNBLTLZKAIJJOG-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740385 1096481305 /nfs/dbraw/zinc/48/13/05/1096481305.db2.gz BGQMYNJBUMMGKL-LPHOPBHVSA-N 2 0 339.499 2.698 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938539 1096968849 /nfs/dbraw/zinc/96/88/49/1096968849.db2.gz BXWNQTFFPARSAD-CRAIPNDOSA-N 2 0 341.927 2.735 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976334 1097033994 /nfs/dbraw/zinc/03/39/94/1097033994.db2.gz HNSLMXNTWLJORW-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481990841 1097056121 /nfs/dbraw/zinc/05/61/21/1097056121.db2.gz FLIOBMLYFHPCGD-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481991240 1097056955 /nfs/dbraw/zinc/05/69/55/1097056955.db2.gz LRNMIKKAZPVPOJ-UXHICEINSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001482031303 1097120236 /nfs/dbraw/zinc/12/02/36/1097120236.db2.gz ISENFFGTLPYKPO-UHFFFAOYSA-N 2 0 341.499 2.845 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001482033224 1097128981 /nfs/dbraw/zinc/12/89/81/1097128981.db2.gz FXNWFSQAICQUHK-UXHICEINSA-N 2 0 341.499 2.985 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]CCCC)cc2)CC1 ZINC001482035925 1097135887 /nfs/dbraw/zinc/13/58/87/1097135887.db2.gz PWFKJQCQMLPMHF-UHFFFAOYSA-N 2 0 341.499 2.538 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001482050065 1097177166 /nfs/dbraw/zinc/17/71/66/1097177166.db2.gz QISOQUWSIRJHER-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482051762 1097184228 /nfs/dbraw/zinc/18/42/28/1097184228.db2.gz NNQQTKCIRVDECY-LJQANCHMSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269039011 1097802920 /nfs/dbraw/zinc/80/29/20/1097802920.db2.gz OHTZAMASTCPXSN-HOCLYGCPSA-N 2 0 326.444 2.802 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1CC ZINC001269174432 1097918625 /nfs/dbraw/zinc/91/86/25/1097918625.db2.gz MKBQIBXISBFSDX-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001269346153 1098073542 /nfs/dbraw/zinc/07/35/42/1098073542.db2.gz ZRXWGWISFYINKA-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCCC1 ZINC001482225944 1098197650 /nfs/dbraw/zinc/19/76/50/1098197650.db2.gz OHAKEDNRKBVKQP-UHFFFAOYSA-N 2 0 329.488 2.609 10 30 EFEERP C=CCC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001269585273 1098268089 /nfs/dbraw/zinc/26/80/89/1098268089.db2.gz VFNXASREWNZIFC-UHFFFAOYSA-N 2 0 329.488 2.957 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001269700458 1098378717 /nfs/dbraw/zinc/37/87/17/1098378717.db2.gz YESUHHGDKCSAGZ-AZUAARDMSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001482244507 1098458914 /nfs/dbraw/zinc/45/89/14/1098458914.db2.gz XVVABWIVARZDJP-IEBWSBKVSA-N 2 0 345.531 2.607 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001269877237 1098495004 /nfs/dbraw/zinc/49/50/04/1098495004.db2.gz GEYBUWOCEBTUGJ-OALUTQOASA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001267916070 1098630252 /nfs/dbraw/zinc/63/02/52/1098630252.db2.gz OEHGVMHPZOWZCI-OALUTQOASA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001267917415 1098636985 /nfs/dbraw/zinc/63/69/85/1098636985.db2.gz FWEDFYUFSGZWMJ-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001270065504 1098653564 /nfs/dbraw/zinc/65/35/64/1098653564.db2.gz OJIJPWNQVTZHOU-UHFFFAOYSA-N 2 0 341.499 2.679 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001267920961 1098664757 /nfs/dbraw/zinc/66/47/57/1098664757.db2.gz GWRNLPWYQHLSOX-UHFFFAOYSA-N 2 0 329.488 2.523 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001267928044 1098715481 /nfs/dbraw/zinc/71/54/81/1098715481.db2.gz XASVQWPFUHQUEW-IYARVYRRSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001267764113 1098918715 /nfs/dbraw/zinc/91/87/15/1098918715.db2.gz QJMLIHUKYYBISD-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001267971746 1099013596 /nfs/dbraw/zinc/01/35/96/1099013596.db2.gz DYNKNUMYBREVBH-MRXNPFEDSA-N 2 0 333.476 2.892 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C1CCCC1 ZINC001270412510 1099072631 /nfs/dbraw/zinc/07/26/31/1099072631.db2.gz GCJHSMTWDFGHOH-KRWDZBQOSA-N 2 0 332.492 2.767 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](C)CC)C2CCCC2)CC1 ZINC001270459019 1099112498 /nfs/dbraw/zinc/11/24/98/1099112498.db2.gz YJGFEUVJCAJPDL-FXAWDEMLSA-N 2 0 347.547 2.642 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001615894790 1099165913 /nfs/dbraw/zinc/16/59/13/1099165913.db2.gz MITZBKBYYBTEQU-GUDVDZBRSA-N 2 0 333.520 2.818 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001268016060 1099187711 /nfs/dbraw/zinc/18/77/11/1099187711.db2.gz YDINZSSPPTUJPI-GOSISDBHSA-N 2 0 345.531 2.564 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001617532504 1099244396 /nfs/dbraw/zinc/24/43/96/1099244396.db2.gz MYTVADOQFVOBMY-QGZVFWFLSA-N 2 0 329.488 2.884 10 30 EFEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481335099 1099350724 /nfs/dbraw/zinc/35/07/24/1099350724.db2.gz 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QJJSTIHQGRBQAJ-FQEVSTJZSA-N 2 0 343.515 2.832 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2nccn2C)C[C@@H]1CC ZINC001670581138 1101358273 /nfs/dbraw/zinc/35/82/73/1101358273.db2.gz DQGAWGHCJIIPFQ-IRXDYDNUSA-N 2 0 332.492 2.536 10 30 EFEERP C=CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001266607218 1101404253 /nfs/dbraw/zinc/40/42/53/1101404253.db2.gz RHIRMWXQCSZCEF-IBGZPJMESA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001271348575 1101414643 /nfs/dbraw/zinc/41/46/43/1101414643.db2.gz XWGJIZUEXVSTEN-GOSISDBHSA-N 2 0 335.536 2.642 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCCC1 ZINC001271348577 1101415388 /nfs/dbraw/zinc/41/53/88/1101415388.db2.gz XWGJIZUEXVSTEN-SFHVURJKSA-N 2 0 335.536 2.642 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001271354881 1101429161 /nfs/dbraw/zinc/42/91/61/1101429161.db2.gz UFBUYYOQFKKBCC-UXHICEINSA-N 2 0 347.547 2.785 10 30 EFEERP 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ZINC001266755231 1102116107 /nfs/dbraw/zinc/11/61/07/1102116107.db2.gz NPPUAEORSKEIFA-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001279146730 1102140185 /nfs/dbraw/zinc/14/01/85/1102140185.db2.gz OGXZHRWOHAFKON-IRXDYDNUSA-N 2 0 335.536 2.900 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766958 1102163349 /nfs/dbraw/zinc/16/33/49/1102163349.db2.gz JRHKJVARTWIRHL-SFHVURJKSA-N 2 0 335.536 2.881 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001656670409 1102166411 /nfs/dbraw/zinc/16/64/11/1102166411.db2.gz XEGXNIFZNSQYER-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266471000 1102205637 /nfs/dbraw/zinc/20/56/37/1102205637.db2.gz GFUWASSXKPEPOW-QZTJIDSGSA-N 2 0 344.503 2.773 10 30 EFEERP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001271665628 1102229089 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BJUYCPKZELGUHB-QFBILLFUSA-N 2 0 329.488 2.622 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001271710619 1102277847 /nfs/dbraw/zinc/27/78/47/1102277847.db2.gz BJUYCPKZELGUHB-APWZRJJASA-N 2 0 329.488 2.622 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266805324 1102284267 /nfs/dbraw/zinc/28/42/67/1102284267.db2.gz ZMQSTLGGVGRLJY-UYAOXDASSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001657071000 1102310679 /nfs/dbraw/zinc/31/06/79/1102310679.db2.gz MVAOUYCRETYOHT-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001482495531 1102329327 /nfs/dbraw/zinc/32/93/27/1102329327.db2.gz PJYLKYQDGZFBHU-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001657102406 1102335370 /nfs/dbraw/zinc/33/53/70/1102335370.db2.gz UFVXISBDEYFCRP-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC(CC)CC)C2)CC1 ZINC001266822665 1102352289 /nfs/dbraw/zinc/35/22/89/1102352289.db2.gz CXCJFIZLWBTPIG-IBGZPJMESA-N 2 0 347.547 2.596 10 30 EFEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001482503664 1102427598 /nfs/dbraw/zinc/42/75/98/1102427598.db2.gz BGMCYVJSXCXPKL-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266519981 1102490515 /nfs/dbraw/zinc/49/05/15/1102490515.db2.gz COMKCLVOCOXKGB-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001271750554 1102592390 /nfs/dbraw/zinc/59/23/90/1102592390.db2.gz SFTBOZALEJIRAP-FCGDIQPGSA-N 2 0 333.520 2.652 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266892951 1102612854 /nfs/dbraw/zinc/61/28/54/1102612854.db2.gz UMQNTWZRHXTXHZ-UXHICEINSA-N 2 0 345.531 2.731 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001271766339 1102629112 /nfs/dbraw/zinc/62/91/12/1102629112.db2.gz MWAUTUSEWYIAPV-PKOBYXMFSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001266906018 1102652609 /nfs/dbraw/zinc/65/26/09/1102652609.db2.gz CJGDVABURREPTI-KVIJGQROSA-N 2 0 333.520 2.652 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001271789545 1102684883 /nfs/dbraw/zinc/68/48/83/1102684883.db2.gz KSLXYRPADFNCQB-VJANTYMQSA-N 2 0 335.536 2.805 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001271790666 1102685978 /nfs/dbraw/zinc/68/59/78/1102685978.db2.gz PEKVAJHGVXXJSC-VQTJNVASSA-N 2 0 345.531 2.587 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCC(C)C)CC2)CC1 ZINC001266916942 1102686478 /nfs/dbraw/zinc/68/64/78/1102686478.db2.gz LFCYRUXSKQDJFJ-UHFFFAOYSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001670523406 1102800183 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335.536 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001661556066 1103314301 /nfs/dbraw/zinc/31/43/01/1103314301.db2.gz QHIOEVOVJULQDZ-PMACEKPBSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001661556139 1103317333 /nfs/dbraw/zinc/31/73/33/1103317333.db2.gz QHIOEVOVJULQDZ-VQTJNVASSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001661792957 1103429284 /nfs/dbraw/zinc/42/92/84/1103429284.db2.gz IZOGKIYMEFOJQI-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001661842422 1103459476 /nfs/dbraw/zinc/45/94/76/1103459476.db2.gz OLGFKQADJNHZHK-SFFCAUCYSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661843047 1103459704 /nfs/dbraw/zinc/45/97/04/1103459704.db2.gz YZITXQWLTMBKTB-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001409483903 1103468589 /nfs/dbraw/zinc/46/85/89/1103468589.db2.gz IUXHMAORIJPGAK-JKSUJKDBSA-N 2 0 341.927 2.830 10 30 EFEERP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001661997834 1103555767 /nfs/dbraw/zinc/55/57/67/1103555767.db2.gz VSBZCVXKMRVXRO-RBUKOAKNSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001483442288 1103725754 /nfs/dbraw/zinc/72/57/54/1103725754.db2.gz LPMIHJMMLOLXJR-RTBURBONSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001662790740 1103815185 /nfs/dbraw/zinc/81/51/85/1103815185.db2.gz KPJMBIYANBRGFW-MSOLQXFVSA-N 2 0 333.520 2.846 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001662796566 1103817782 /nfs/dbraw/zinc/81/77/82/1103817782.db2.gz BHBFGQHYOPUPHK-RBUKOAKNSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001662863326 1103873358 /nfs/dbraw/zinc/87/33/58/1103873358.db2.gz UTIJSXQAUOMPBH-PKOBYXMFSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001662867531 1103876178 /nfs/dbraw/zinc/87/61/78/1103876178.db2.gz JXIQCGREKGUUIC-LJQANCHMSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001663014194 1103922866 /nfs/dbraw/zinc/92/28/66/1103922866.db2.gz OUQPMTRQDLEEKE-SFHVURJKSA-N 2 0 347.547 2.786 10 30 EFEERP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663103900 1103980915 /nfs/dbraw/zinc/98/09/15/1103980915.db2.gz DVLFDRRIGOXZEV-VQIMIIECSA-N 2 0 339.499 2.746 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001663123960 1103998950 /nfs/dbraw/zinc/99/89/50/1103998950.db2.gz NDLLOAGRDRVYFL-IBGZPJMESA-N 2 0 333.520 2.637 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663528596 1104135080 /nfs/dbraw/zinc/13/50/80/1104135080.db2.gz RFEMBDDNZBXKRR-APWZRJJASA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001663749778 1104207338 /nfs/dbraw/zinc/20/73/38/1104207338.db2.gz UCIPKILCEVLCBE-IBGZPJMESA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001664561281 1104449320 /nfs/dbraw/zinc/44/93/20/1104449320.db2.gz DVDWKQACHWKQCI-FXAWDEMLSA-N 2 0 341.499 2.532 10 30 EFEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001664673566 1104495455 /nfs/dbraw/zinc/49/54/55/1104495455.db2.gz NATGYHZDTRGEKC-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001664880066 1104590635 /nfs/dbraw/zinc/59/06/35/1104590635.db2.gz BORKDLMVEINABH-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628278 1104688537 /nfs/dbraw/zinc/68/85/37/1104688537.db2.gz LODLQWHTAQKJFY-SFHVURJKSA-N 2 0 327.488 2.555 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001665641511 1104735596 /nfs/dbraw/zinc/73/55/96/1104735596.db2.gz BHGVEDJLVKGINL-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH2+]C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC[C@H]1C ZINC001666058364 1104843586 /nfs/dbraw/zinc/84/35/86/1104843586.db2.gz YMQIZTMXBCJAIO-QRWLVFNGSA-N 2 0 338.455 2.544 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001666124554 1104874523 /nfs/dbraw/zinc/87/45/23/1104874523.db2.gz BKXUBRYVFMGCGX-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001666363945 1104934769 /nfs/dbraw/zinc/93/47/69/1104934769.db2.gz AEVWMLNGNAKMLR-PXNSSMCTSA-N 2 0 347.547 2.901 10 30 EFEERP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001666374496 1104936268 /nfs/dbraw/zinc/93/62/68/1104936268.db2.gz BELMRFUINDVVJR-FQEVSTJZSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001666497911 1104952827 /nfs/dbraw/zinc/95/28/27/1104952827.db2.gz WZFHQCCLTPQLCD-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001666501297 1104953802 /nfs/dbraw/zinc/95/38/02/1104953802.db2.gz UFZXNEYPBOAOHI-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)c2ccccc2CC[NH+](C)C)CCCC1 ZINC001666778260 1104996321 /nfs/dbraw/zinc/99/63/21/1104996321.db2.gz IRSGPUYVFZPQAJ-UHFFFAOYSA-N 2 0 343.515 2.999 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001666834442 1105004398 /nfs/dbraw/zinc/00/43/98/1105004398.db2.gz IFKNPMHVPOQJFT-RBUKOAKNSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001667182855 1105073144 /nfs/dbraw/zinc/07/31/44/1105073144.db2.gz MEFAEXOCJJJUEE-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001667204868 1105079416 /nfs/dbraw/zinc/07/94/16/1105079416.db2.gz UGODIZYPKZNUBW-FXAWDEMLSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001667217995 1105083871 /nfs/dbraw/zinc/08/38/71/1105083871.db2.gz WDHDLQGXLMYUFV-RDJZCZTQSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001667217993 1105084120 /nfs/dbraw/zinc/08/41/20/1105084120.db2.gz WDHDLQGXLMYUFV-DOTOQJQBSA-N 2 0 341.927 2.832 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1Cl ZINC001482885711 1105134789 /nfs/dbraw/zinc/13/47/89/1105134789.db2.gz KDPJLSXVJQSZMQ-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667393066 1105137729 /nfs/dbraw/zinc/13/77/29/1105137729.db2.gz HKLKYDNETSXTNE-VQIMIIECSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001667412984 1105143238 /nfs/dbraw/zinc/14/32/38/1105143238.db2.gz HNTKDTYMVXIDJN-FQEVSTJZSA-N 2 0 347.547 2.855 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669961624 1105556280 /nfs/dbraw/zinc/55/62/80/1105556280.db2.gz LATASDPEZCABKQ-APWZRJJASA-N 2 0 338.455 2.544 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669974188 1105561046 /nfs/dbraw/zinc/56/10/46/1105561046.db2.gz RHBGKEVJRZWOAG-MOPGFXCFSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669974191 1105562094 /nfs/dbraw/zinc/56/20/94/1105562094.db2.gz RHBGKEVJRZWOAG-RTBURBONSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001669979672 1105562575 /nfs/dbraw/zinc/56/25/75/1105562575.db2.gz DQAZVBQLNIKHJK-OALUTQOASA-N 2 0 333.520 2.540 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001671384628 1105632227 /nfs/dbraw/zinc/63/22/27/1105632227.db2.gz NKXPPRSTJJJGPY-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001671419429 1105634693 /nfs/dbraw/zinc/63/46/93/1105634693.db2.gz OWLXPOIOFZFBTR-MSOLQXFVSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001671481652 1105642849 /nfs/dbraw/zinc/64/28/49/1105642849.db2.gz RHLYPOPOKLXYTE-IBGZPJMESA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCCCCC)CC1 ZINC001671491579 1105644705 /nfs/dbraw/zinc/64/47/05/1105644705.db2.gz DRFMKSZPXLSIPE-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](Cc2ccsc2)CC1 ZINC001671504177 1105647194 /nfs/dbraw/zinc/64/71/94/1105647194.db2.gz QRUYLFRIDHCEMN-UHFFFAOYSA-N 2 0 347.528 2.516 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001671598527 1105666948 /nfs/dbraw/zinc/66/69/48/1105666948.db2.gz MURZCQXHDCUWJW-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001671814708 1105708358 /nfs/dbraw/zinc/70/83/58/1105708358.db2.gz CIBZJPBTDISJES-HXUWFJFHSA-N 2 0 345.487 2.587 10 30 EFEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001671859033 1105714757 /nfs/dbraw/zinc/71/47/57/1105714757.db2.gz ZSSJRGNYYWDWJB-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001671891905 1105723356 /nfs/dbraw/zinc/72/33/56/1105723356.db2.gz ILGQGLKQUCOCKO-IBGZPJMESA-N 2 0 333.520 2.657 10 30 EFEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001671916080 1105730003 /nfs/dbraw/zinc/73/00/03/1105730003.db2.gz DYSXMNAXHKXXPW-UXHICEINSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001672338291 1105805689 /nfs/dbraw/zinc/80/56/89/1105805689.db2.gz GNDBZNOQWJFHBK-APWZRJJASA-N 2 0 329.488 2.622 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001672377495 1105817290 /nfs/dbraw/zinc/81/72/90/1105817290.db2.gz WMSYRKOOMKJODN-UFYCRDLUSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001672391790 1105821597 /nfs/dbraw/zinc/82/15/97/1105821597.db2.gz ACYPYUMZVBUKSK-UHFFFAOYSA-N 2 0 329.488 2.665 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001672562947 1105872940 /nfs/dbraw/zinc/87/29/40/1105872940.db2.gz NOHVEBNEZDBQHT-YTQUADARSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672880245 1105927799 /nfs/dbraw/zinc/92/77/99/1105927799.db2.gz RJJNRUBLOPWLMY-GOSISDBHSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001672897180 1105930872 /nfs/dbraw/zinc/93/08/72/1105930872.db2.gz NJPMQFFBZGZGIS-GOSISDBHSA-N 2 0 333.520 2.513 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001672947406 1105947360 /nfs/dbraw/zinc/94/73/60/1105947360.db2.gz HZNQREDKQBHNEW-GOSISDBHSA-N 2 0 341.499 2.853 10 30 EFEERP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001673202189 1105984107 /nfs/dbraw/zinc/98/41/07/1105984107.db2.gz UBJOIKJRSLKBCK-SFHVURJKSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001673650685 1106067687 /nfs/dbraw/zinc/06/76/87/1106067687.db2.gz MJDOEYROZDKZBI-QUCCMNQESA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001674029082 1106126788 /nfs/dbraw/zinc/12/67/88/1106126788.db2.gz PFWUMHPOJYUAAY-AEFFLSMTSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001674354137 1106176325 /nfs/dbraw/zinc/17/63/25/1106176325.db2.gz WPVLNVYEFOCURV-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001674510038 1106211469 /nfs/dbraw/zinc/21/14/69/1106211469.db2.gz ASTARCDTMGXVSD-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775921 1106255263 /nfs/dbraw/zinc/25/52/63/1106255263.db2.gz YXDJJFWVJQJMNI-IRXDYDNUSA-N 2 0 335.536 2.641 10 30 EFEERP C#CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001675130000 1106305633 /nfs/dbraw/zinc/30/56/33/1106305633.db2.gz RGQPYYICCOUACW-SFHVURJKSA-N 2 0 335.536 2.735 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001675354866 1106346082 /nfs/dbraw/zinc/34/60/82/1106346082.db2.gz ZIVNJFCOGKVHEG-IAGOWNOFSA-N 2 0 347.547 2.900 10 30 EFEERP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001675486652 1106371017 /nfs/dbraw/zinc/37/10/17/1106371017.db2.gz MTBWOILRFITDNX-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001675692415 1106411585 /nfs/dbraw/zinc/41/15/85/1106411585.db2.gz FSPLUBDGUCKEJQ-YSIASYRMSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001675958870 1106454921 /nfs/dbraw/zinc/45/49/21/1106454921.db2.gz NGNTVVZBEOEMLD-IEBWSBKVSA-N 2 0 333.520 2.681 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001676845911 1106602707 /nfs/dbraw/zinc/60/27/07/1106602707.db2.gz NKLHBFWFCYRCBN-IXDOHACOSA-N 2 0 341.927 2.688 10 30 EFEERP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001677018285 1106649139 /nfs/dbraw/zinc/64/91/39/1106649139.db2.gz AAGNCTOXABPDPW-RTBURBONSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCC[N@@H+](C)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001677211615 1106676932 /nfs/dbraw/zinc/67/69/32/1106676932.db2.gz SFPJYXYXSUZREQ-IBGZPJMESA-N 2 0 341.515 2.944 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001677307263 1106695451 /nfs/dbraw/zinc/69/54/51/1106695451.db2.gz ZKSZFZPOJAYFHX-MSOLQXFVSA-N 2 0 335.536 2.641 10 30 EFEERP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001272216024 1107909448 /nfs/dbraw/zinc/90/94/48/1107909448.db2.gz NOIZLBNBMWMXJT-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001272565866 1108673501 /nfs/dbraw/zinc/67/35/01/1108673501.db2.gz PIFCSBNZROWBCU-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001272675004 1112386050 /nfs/dbraw/zinc/38/60/50/1112386050.db2.gz CQPYEIYXEKVAOF-UHFFFAOYSA-N 2 0 329.488 2.653 10 30 EFEERP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001483802322 1112465689 /nfs/dbraw/zinc/46/56/89/1112465689.db2.gz PJSLANFJLIMTBP-PMACEKPBSA-N 2 0 345.531 2.589 10 30 EFEERP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001483802324 1112465732 /nfs/dbraw/zinc/46/57/32/1112465732.db2.gz PJSLANFJLIMTBP-VQTJNVASSA-N 2 0 345.531 2.589 10 30 EFEERP C=C(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001483817787 1112468147 /nfs/dbraw/zinc/46/81/47/1112468147.db2.gz ZCDDJBLTFKNNJO-UHFFFAOYSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001483835024 1112496106 /nfs/dbraw/zinc/49/61/06/1112496106.db2.gz DXOSDCDCRINJEI-LJQANCHMSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483936367 1112577392 /nfs/dbraw/zinc/57/73/92/1112577392.db2.gz KFXGTILMCBCMOL-INIZCTEOSA-N 2 0 341.927 2.973 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001483992948 1112642204 /nfs/dbraw/zinc/64/22/04/1112642204.db2.gz RZLXGTIDFWNFHC-RTWAWAEBSA-N 2 0 349.478 2.562 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)CCC[NH+](C)C)c1ccc2ccccc2c1 ZINC001483993559 1112642527 /nfs/dbraw/zinc/64/25/27/1112642527.db2.gz XLFJJFVMUULZJW-HXUWFJFHSA-N 2 0 337.467 2.562 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCC1 ZINC001484003360 1112654074 /nfs/dbraw/zinc/65/40/74/1112654074.db2.gz SZBICHWXXIEHFN-GOSISDBHSA-N 2 0 326.444 2.707 10 30 EFEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001484145431 1112823068 /nfs/dbraw/zinc/82/30/68/1112823068.db2.gz XLWLFTNYEPLMFX-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484548691 1113000951 /nfs/dbraw/zinc/00/09/51/1113000951.db2.gz XTXJEPIYLZMLKI-ICSRJNTNSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001484824110 1117760231 /nfs/dbraw/zinc/76/02/31/1117760231.db2.gz OANZOFOFTJTSGT-FQEVSTJZSA-N 2 0 343.515 2.838 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCCCC=C)C2)CC1 ZINC001484905458 1117819869 /nfs/dbraw/zinc/81/98/69/1117819869.db2.gz FVTPPKIGFYFQCX-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001484940919 1117865916 /nfs/dbraw/zinc/86/59/16/1117865916.db2.gz SEZJKFJFBGPXPK-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001485004424 1117934351 /nfs/dbraw/zinc/93/43/51/1117934351.db2.gz NNKZDRQPSDYHGE-LJQANCHMSA-N 2 0 329.488 2.620 10 30 EFEERP C#CC[N@@H+](CC)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001485032871 1117965069 /nfs/dbraw/zinc/96/50/69/1117965069.db2.gz MWERTUAKSKKMHY-UHFFFAOYSA-N 2 0 341.499 2.556 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001485066956 1117989009 /nfs/dbraw/zinc/98/90/09/1117989009.db2.gz FFGGMADUIIAHPM-WOJBJXKFSA-N 2 0 345.531 2.730 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001485066955 1117989198 /nfs/dbraw/zinc/98/91/98/1117989198.db2.gz FFGGMADUIIAHPM-VQTJNVASSA-N 2 0 345.531 2.730 10 30 EFEERP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001485081524 1118030837 /nfs/dbraw/zinc/03/08/37/1118030837.db2.gz FCYMCSNXZWOJFX-QZTJIDSGSA-N 2 0 335.536 2.711 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001485432753 1118344935 /nfs/dbraw/zinc/34/49/35/1118344935.db2.gz BWJMHXZULMDOSX-VQTJNVASSA-N 2 0 347.547 2.879 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001485456922 1118369911 /nfs/dbraw/zinc/36/99/11/1118369911.db2.gz CHFYYKHTAJJVCJ-GOSISDBHSA-N 2 0 333.520 2.683 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]C[C@H](C)CC)CCCCC2)CC1 ZINC001485459432 1118382743 /nfs/dbraw/zinc/38/27/43/1118382743.db2.gz QVJFQXFPLDVCCP-GOSISDBHSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001485691218 1118522344 /nfs/dbraw/zinc/52/23/44/1118522344.db2.gz GGKSQBQAPJHIPP-JCNLHEQBSA-N 2 0 349.906 2.641 10 30 EFEERP CC#CC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001485766664 1118578894 /nfs/dbraw/zinc/57/88/94/1118578894.db2.gz MFRXAALRNKUAHE-HXUWFJFHSA-N 2 0 341.499 2.626 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](CCC[NH2+]CC)c2ccccc2)CC1 ZINC001485780780 1118588318 /nfs/dbraw/zinc/58/83/18/1118588318.db2.gz XUJSZIXJNLXSSK-HXUWFJFHSA-N 2 0 341.499 2.579 10 30 EFEERP C=CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000941027079 1118657503 /nfs/dbraw/zinc/65/75/03/1118657503.db2.gz RRGGUVXNLSNAJK-HNAYVOBHSA-N 2 0 339.499 2.602 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001272727091 1119570984 /nfs/dbraw/zinc/57/09/84/1119570984.db2.gz PRIFSBSHAFDSJN-XCDZQEORSA-N 2 0 335.536 2.946 10 30 EFEERP [NH2+]=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)NC1CCCC1 ZINC000262372491 240349540 /nfs/dbraw/zinc/34/95/40/240349540.db2.gz MFHSOCUWRWWGQV-UHFFFAOYSA-N 2 0 332.414 2.639 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000245591937 240257508 /nfs/dbraw/zinc/25/75/08/240257508.db2.gz BEIFAGZMMCCFCH-MOPGFXCFSA-N 2 0 348.535 2.684 10 30 EFEERP CC[NH+]=C(NCc1ccc2c(c1)COC2)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000262010605 240338743 /nfs/dbraw/zinc/33/87/43/240338743.db2.gz WMMFUPDNQXWVEY-HNAYVOBHSA-N 2 0 344.503 2.501 10 30 EFEERP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)nc32)[C@H](C)C1 ZINC000328656406 241213761 /nfs/dbraw/zinc/21/37/61/241213761.db2.gz NUZWAPSQWXYFJW-PVAVHDDUSA-N 2 0 347.507 2.645 10 30 EFEERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(C)CCC#N ZINC000071123971 296135716 /nfs/dbraw/zinc/13/57/16/296135716.db2.gz VIHMNWVMNXLBID-QGZVFWFLSA-N 2 0 342.487 2.523 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095195 217361317 /nfs/dbraw/zinc/36/13/17/217361317.db2.gz ADPLQSUCHPUUBN-QAPCUYQASA-N 2 0 328.460 2.549 10 30 EFEERP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000352841894 146330442 /nfs/dbraw/zinc/33/04/42/146330442.db2.gz TXJUSENYNLQJLH-UHFFFAOYSA-N 2 0 341.377 2.779 10 30 EFEERP N#Cc1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000567645834 319192462 /nfs/dbraw/zinc/19/24/62/319192462.db2.gz BWNWDKWYELUOCP-TZIWHRDSSA-N 2 0 349.434 2.783 10 30 EFEERP CN1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000581339356 324353928 /nfs/dbraw/zinc/35/39/28/324353928.db2.gz UIXCSSWLAMOGLT-CTNGQTDRSA-N 2 0 348.450 2.922 10 30 EFEERP CCCCCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000157959483 472878337 /nfs/dbraw/zinc/87/83/37/472878337.db2.gz GMLKMFJGGUHACQ-IBGZPJMESA-N 2 0 325.541 2.684 10 30 EFEERP CCCCCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000157959342 472879001 /nfs/dbraw/zinc/87/90/01/472879001.db2.gz GMLKMFJGGUHACQ-LJQANCHMSA-N 2 0 325.541 2.684 10 30 EFEERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C#N)CC2)CC1 ZINC000123710691 473176547 /nfs/dbraw/zinc/17/65/47/473176547.db2.gz LFWFNZWVBDYYKH-UHFFFAOYSA-N 2 0 326.488 2.954 10 30 EFEERP CN1CC[NH+]([C@H]2CCCCN(CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC000182901336 474282219 /nfs/dbraw/zinc/28/22/19/474282219.db2.gz BWFAQZCCLREKEF-FQEVSTJZSA-N 2 0 345.918 2.793 10 30 EFEERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271094071 474400544 /nfs/dbraw/zinc/40/05/44/474400544.db2.gz XTZXNSKJZBFOAR-PELRDEGISA-N 2 0 340.515 2.616 10 30 EFEERP N#CCCOCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858092 474679712 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328.456 2.813 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 ZINC000437102712 477671381 /nfs/dbraw/zinc/67/13/81/477671381.db2.gz HEKJXKCGGMMZCO-GWFLUQINSA-N 2 0 342.487 2.963 10 30 EFEERP C=CCOc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247891 477879777 /nfs/dbraw/zinc/87/97/77/477879777.db2.gz CMYNANATBRDPCC-FQEVSTJZSA-N 2 0 330.472 2.842 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247695 477879799 /nfs/dbraw/zinc/87/97/99/477879799.db2.gz CDDSLOZHLOVJGK-FQEVSTJZSA-N 2 0 330.472 2.842 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247940 477879836 /nfs/dbraw/zinc/87/98/36/477879836.db2.gz DXYRQXOFQMZZJI-LJQANCHMSA-N 2 0 330.472 2.842 10 30 EFEERP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436826 478386969 /nfs/dbraw/zinc/38/69/69/478386969.db2.gz GGTKMVWQEDZFNT-QRQLOZEOSA-N 2 0 342.487 2.567 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000594438005 478387636 /nfs/dbraw/zinc/38/76/36/478387636.db2.gz QUJVQWKXTXXUPX-GOSISDBHSA-N 2 0 328.460 2.675 10 30 EFEERP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437750 478387652 /nfs/dbraw/zinc/38/76/52/478387652.db2.gz FCDJTLGCSPKPFT-IEBWSBKVSA-N 2 0 342.487 2.521 10 30 EFEERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439088 478389426 /nfs/dbraw/zinc/38/94/26/478389426.db2.gz SGNYBJUYBSHFSN-KZNAEPCWSA-N 2 0 334.508 2.511 10 30 EFEERP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc21 ZINC000594439557 478389766 /nfs/dbraw/zinc/38/97/66/478389766.db2.gz RYZSCWVTTFJPBV-QGZVFWFLSA-N 2 0 341.459 2.553 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000594447210 478393776 /nfs/dbraw/zinc/39/37/76/478393776.db2.gz VLUOKPNFLKMNEQ-SFHVURJKSA-N 2 0 334.508 2.512 10 30 EFEERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594500285 478413452 /nfs/dbraw/zinc/41/34/52/478413452.db2.gz MBONZIHQLJXGPP-QGZVFWFLSA-N 2 0 328.504 2.603 10 30 EFEERP CC(C)(C#N)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000594499898 478413478 /nfs/dbraw/zinc/41/34/78/478413478.db2.gz DLUDPWYFDSJLPW-LJQANCHMSA-N 2 0 329.488 2.814 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000600714325 478480571 /nfs/dbraw/zinc/48/05/71/478480571.db2.gz LDAMGLOSPMHPRR-IBGZPJMESA-N 2 0 327.472 2.817 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600718679 478483327 /nfs/dbraw/zinc/48/33/27/478483327.db2.gz AEWQMQMQZJGBET-OALUTQOASA-N 2 0 327.472 2.543 10 30 EFEERP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000591582452 478587596 /nfs/dbraw/zinc/58/75/96/478587596.db2.gz BAFZCZAHHMKKIR-GZNCHQMQSA-N 2 0 338.499 2.742 10 30 EFEERP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000591582451 478587824 /nfs/dbraw/zinc/58/78/24/478587824.db2.gz BAFZCZAHHMKKIR-GRERDSQWSA-N 2 0 338.499 2.742 10 30 EFEERP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000594953862 478602634 /nfs/dbraw/zinc/60/26/34/478602634.db2.gz JQOBOUGKMQQRQM-UHFFFAOYSA-N 2 0 331.435 2.678 10 30 EFEERP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1C#N ZINC000594975864 478616282 /nfs/dbraw/zinc/61/62/82/478616282.db2.gz WCTBZGJFJXXVFJ-OAQYLSRUSA-N 2 0 335.451 2.723 10 30 EFEERP N#Cc1sccc1N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000595904409 479062023 /nfs/dbraw/zinc/06/20/23/479062023.db2.gz YDMWAQQBQLBELU-UHFFFAOYSA-N 2 0 338.480 2.588 10 30 EFEERP N#Cc1cccc(C2([NH2+]CCCC3CC[NH2+]CC3)CCOCC2)c1 ZINC000595911721 479067069 /nfs/dbraw/zinc/06/70/69/479067069.db2.gz WBHSLHSOHHGTQX-UHFFFAOYSA-N 2 0 327.472 2.933 10 30 EFEERP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599365530 479269804 /nfs/dbraw/zinc/26/98/04/479269804.db2.gz FATKXACTFPMNOW-WDSOQIARSA-N 2 0 327.472 2.541 10 30 EFEERP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405541 479286001 /nfs/dbraw/zinc/28/60/01/479286001.db2.gz YOAGXXIGODPVRC-IAGOWNOFSA-N 2 0 347.528 2.865 10 30 EFEERP CC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874443 481505958 /nfs/dbraw/zinc/50/59/58/481505958.db2.gz GXHGSWHEOATZOU-YRPNKDGESA-N 2 0 336.520 2.864 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662391675 481779827 /nfs/dbraw/zinc/77/98/27/481779827.db2.gz FDYZBPLVJRIQJX-QUCCMNQESA-N 2 0 329.488 2.884 10 30 EFEERP C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693675 481908062 /nfs/dbraw/zinc/90/80/62/481908062.db2.gz ZLCDXLMYBLHEEU-RTBURBONSA-N 2 0 328.504 2.928 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666170 481923464 /nfs/dbraw/zinc/92/34/64/481923464.db2.gz QUJDHXAUJVENPY-QAPCUYQASA-N 2 0 333.501 2.700 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000662675319 481927794 /nfs/dbraw/zinc/92/77/94/481927794.db2.gz LDLGRDUSQWOXNE-FQEVSTJZSA-N 2 0 329.488 2.841 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678944 481930777 /nfs/dbraw/zinc/93/07/77/481930777.db2.gz KRPSZUPQCAPMTM-TZIWHRDSSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698213 481939687 /nfs/dbraw/zinc/93/96/87/481939687.db2.gz JTMWWJQIJVGHOD-LPHOPBHVSA-N 2 0 347.528 2.775 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000662717264 481946602 /nfs/dbraw/zinc/94/66/02/481946602.db2.gz YPCONNIOEBXIHL-QUCCMNQESA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719080 481947026 /nfs/dbraw/zinc/94/70/26/481947026.db2.gz WKCBNMSAJDWBSG-OXJNMPFZSA-N 2 0 329.488 2.930 10 30 EFEERP C=CC[C@]1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662719616 481947676 /nfs/dbraw/zinc/94/76/76/481947676.db2.gz HOWAOFFXIDDERD-OAQYLSRUSA-N 2 0 341.499 2.808 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662753839 481959841 /nfs/dbraw/zinc/95/98/41/481959841.db2.gz YDLIMXRBZOEUOA-SJLPKXTDSA-N 2 0 335.879 2.757 10 30 EFEERP C=CC[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000662791299 481971250 /nfs/dbraw/zinc/97/12/50/481971250.db2.gz JGEKGNUBCWEAJN-FQEVSTJZSA-N 2 0 327.472 2.962 10 30 EFEERP N#Cc1ccc2ncc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)n2c1 ZINC000180275085 526694118 /nfs/dbraw/zinc/69/41/18/526694118.db2.gz VSJJOEUCTIBWDE-UHFFFAOYSA-N 2 0 346.438 2.607 10 30 EFEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-c2ccccn2)c1 ZINC000160784326 529074046 /nfs/dbraw/zinc/07/40/46/529074046.db2.gz JONLVCPFOPFDRE-GOSISDBHSA-N 2 0 337.471 2.637 10 30 EFEERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000343559768 535496420 /nfs/dbraw/zinc/49/64/20/535496420.db2.gz USRKOTGFWCVIGK-UHFFFAOYSA-N 2 0 342.487 2.941 10 30 EFEERP C=C(C)[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000678764192 548982926 /nfs/dbraw/zinc/98/29/26/548982926.db2.gz SAXIRWSZBXDMEY-YJBOKZPZSA-N 2 0 335.467 2.555 10 30 EFEERP C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000678764189 548982982 /nfs/dbraw/zinc/98/29/82/548982982.db2.gz SAXIRWSZBXDMEY-CRAIPNDOSA-N 2 0 335.467 2.555 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691409925 1248747975 /nfs/dbraw/zinc/74/79/75/1248747975.db2.gz JJVFBDGQKJZQAR-YLJYHZDGSA-N 2 0 347.547 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC=C)CC1 ZINC001691411459 1248754622 /nfs/dbraw/zinc/75/46/22/1248754622.db2.gz NIFPEHZRBDGJFA-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001691429093 1248882658 /nfs/dbraw/zinc/88/26/58/1248882658.db2.gz UYZMNIGYQGHDSI-BHIYHBOVSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001691790747 1249607218 /nfs/dbraw/zinc/60/72/18/1249607218.db2.gz VECRSVDXWSJWOT-IBGZPJMESA-N 2 0 333.520 2.587 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086445 1248383438 /nfs/dbraw/zinc/38/34/38/1248383438.db2.gz QSGAKRQGKWQHSH-INIZCTEOSA-N 2 0 326.444 2.803 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C/CCC)CC1 ZINC001691112615 1248433301 /nfs/dbraw/zinc/43/33/01/1248433301.db2.gz IQTFWKQMMXJRTG-ROUKRRSUSA-N 2 0 345.531 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)C[C@@H](C)CC)CC2)CC1 ZINC001692030299 1248550775 /nfs/dbraw/zinc/55/07/75/1248550775.db2.gz KLFCJLCGXFAPCI-SFHVURJKSA-N 2 0 347.547 2.548 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691235629 1248560098 /nfs/dbraw/zinc/56/00/98/1248560098.db2.gz GFGQPABUYOECBR-JKSUJKDBSA-N 2 0 326.444 2.707 10 30 EFEERP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001691277223 1248588439 /nfs/dbraw/zinc/58/84/39/1248588439.db2.gz SZRYAAHMGNEMMU-SFHVURJKSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001691305129 1248636692 /nfs/dbraw/zinc/63/66/92/1248636692.db2.gz JGOYGQFCACCKHD-AEFFLSMTSA-N 2 0 332.492 2.765 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691594841 1251805752 /nfs/dbraw/zinc/80/57/52/1251805752.db2.gz DFWNWOUMXIYFSJ-SCTDSRPQSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001484113612 1252265078 /nfs/dbraw/zinc/26/50/78/1252265078.db2.gz AVPXBDBEKLSTJQ-OAQYLSRUSA-N 2 0 343.515 2.565 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484115850 1252281142 /nfs/dbraw/zinc/28/11/42/1252281142.db2.gz XLXGMKRXFKQTOC-WMZOPIPTSA-N 2 0 341.927 2.832 10 30 EFEERP C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001484323331 1252392740 /nfs/dbraw/zinc/39/27/40/1252392740.db2.gz KEXBSFVDERBVJE-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001484385550 1252504641 /nfs/dbraw/zinc/50/46/41/1252504641.db2.gz KSMUNRRSBLDPCO-WBVHZDCISA-N 2 0 341.927 2.689 10 30 EFEERP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001484389357 1252513961 /nfs/dbraw/zinc/51/39/61/1252513961.db2.gz GEXNCZXOHROBLA-QXCZDIPSSA-N 2 0 333.520 2.795 10 30 EFEERP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001484411147 1252552875 /nfs/dbraw/zinc/55/28/75/1252552875.db2.gz AKLCZYIBRIMMRL-QRVBRYPASA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C/CC)CC2)CC1 ZINC001484727856 1252818649 /nfs/dbraw/zinc/81/86/49/1252818649.db2.gz HDFJXSGNGDZRBV-XJDXJNMNSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001484772326 1252945285 /nfs/dbraw/zinc/94/52/85/1252945285.db2.gz QRXLPTFACKSUNR-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001484772335 1252945936 /nfs/dbraw/zinc/94/59/36/1252945936.db2.gz QWPHNWMKRUBCMN-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001273027305 1266189109 /nfs/dbraw/zinc/18/91/09/1266189109.db2.gz RWKOYQXXWOQUPO-NXHRZFHOSA-N 2 0 349.906 2.569 10 30 EFEERP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001687475772 1258514979 /nfs/dbraw/zinc/51/49/79/1258514979.db2.gz TWRWGYUSJJEZER-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001670923568 1258701814 /nfs/dbraw/zinc/70/18/14/1258701814.db2.gz NTOTYCOGHBFJHE-ZWKOTPCHSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001671038552 1259821540 /nfs/dbraw/zinc/82/15/40/1259821540.db2.gz DTIHHROTLQPARH-MJGOQNOKSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001671039567 1259843832 /nfs/dbraw/zinc/84/38/32/1259843832.db2.gz OYZFYVYZYQTYEL-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001671044086 1259930346 /nfs/dbraw/zinc/93/03/46/1259930346.db2.gz BATAKSJXPVNYNR-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](CC)CC)cccc2C1 ZINC001272917321 1261330551 /nfs/dbraw/zinc/33/05/51/1261330551.db2.gz SRLYMPKTBQZTDU-FQEVSTJZSA-N 2 0 343.515 2.967 10 30 EFEERP N#Cc1ccc([C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923508880 1261809903 /nfs/dbraw/zinc/80/99/03/1261809903.db2.gz XXCOTKHTOXGSIK-FXAWDEMLSA-N 2 0 327.472 2.693 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001486167897 1262729054 /nfs/dbraw/zinc/72/90/54/1262729054.db2.gz UMXYLSSRFXWJNB-IPMKNSEASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486247647 1262851674 /nfs/dbraw/zinc/85/16/74/1262851674.db2.gz JGLNCEWNKCAKIV-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCC)C(C)(C)C2)CC1 ZINC001486249516 1262854878 /nfs/dbraw/zinc/85/48/78/1262854878.db2.gz IIKVVZIDUYJFGD-IBGZPJMESA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cc1cnccc1OC)C(C)(C)C ZINC001486405548 1263057866 /nfs/dbraw/zinc/05/78/66/1263057866.db2.gz YVGRMXNDPCNBKK-QGZVFWFLSA-N 2 0 333.476 2.719 10 30 EFEERP CC#CC[NH+]1CCC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001486447675 1263137222 /nfs/dbraw/zinc/13/72/22/1263137222.db2.gz JZMSAYZJDRQZOT-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001486476603 1263202896 /nfs/dbraw/zinc/20/28/96/1263202896.db2.gz GJQFWGKPZHEGHP-LADRWXRNSA-N 2 0 339.499 2.744 10 30 EFEERP N#Cc1cccc(C[NH+]2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)c1 ZINC000581803647 1271777717 /nfs/dbraw/zinc/77/77/17/1271777717.db2.gz QBNVHUINMJFCPA-IBGZPJMESA-N 2 0 325.456 2.635 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001671085317 1281423694 /nfs/dbraw/zinc/42/36/94/1281423694.db2.gz OFQQMARERNFCIM-PZJWPPBQSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001137552959 1281478228 /nfs/dbraw/zinc/47/82/28/1281478228.db2.gz IKJBFBAQOXHCPW-ZWKOTPCHSA-N 2 0 329.488 2.616 10 30 EFEERP Cc1cc(C#N)cc(C)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506099 1312785427 /nfs/dbraw/zinc/78/54/27/1312785427.db2.gz OHPUNTIIYFFYKU-BGYRXZFFSA-N 2 0 338.499 2.576 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000876719068 1290988736 /nfs/dbraw/zinc/98/87/36/1290988736.db2.gz CHHRNDVJHBGWBS-KRWDZBQOSA-N 2 0 335.879 2.546 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](CC)CC)Cc1ccccc1 ZINC000876740153 1290999101 /nfs/dbraw/zinc/99/91/01/1290999101.db2.gz IAJLMMBUNIJLKC-KRWDZBQOSA-N 2 0 337.895 2.827 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876885738 1291058173 /nfs/dbraw/zinc/05/81/73/1291058173.db2.gz ZJIODPRUSKGSRU-RDJZCZTQSA-N 2 0 335.879 2.579 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903153 1291065797 /nfs/dbraw/zinc/06/57/97/1291065797.db2.gz RKSXVVZEWDWDMZ-NXHRZFHOSA-N 2 0 349.906 2.873 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903152 1291065909 /nfs/dbraw/zinc/06/59/09/1291065909.db2.gz RKSXVVZEWDWDMZ-NJAFHUGGSA-N 2 0 349.906 2.873 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001273599022 1292115434 /nfs/dbraw/zinc/11/54/34/1292115434.db2.gz MSFZZGJKDOSMTL-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606544 1292295924 /nfs/dbraw/zinc/29/59/24/1292295924.db2.gz ADXFJFUQSRRONZ-WOJBJXKFSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCO1 ZINC000883216905 1293510116 /nfs/dbraw/zinc/51/01/16/1293510116.db2.gz XTUHRNJBQLKXHH-HKBOAZHASA-N 2 0 344.499 2.857 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001276447048 1313098441 /nfs/dbraw/zinc/09/84/41/1313098441.db2.gz CWMLKKOVXQQSID-IRXDYDNUSA-N 2 0 335.536 2.898 10 30 EFEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001273769340 1295157073 /nfs/dbraw/zinc/15/70/73/1295157073.db2.gz FCQGIWDXQZRCBZ-UHFFFAOYSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001273789379 1295773893 /nfs/dbraw/zinc/77/38/93/1295773893.db2.gz HEWUUWMCDHPMRK-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP CC1(C)[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925724797 1296872213 /nfs/dbraw/zinc/87/22/13/1296872213.db2.gz DGEPAMOOVAGCPC-HOJAQTOUSA-N 2 0 338.499 2.893 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136585 1297238273 /nfs/dbraw/zinc/23/82/73/1297238273.db2.gz NWJDWJOGUYFKML-WIYYLYMNSA-N 2 0 340.515 2.633 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001489087629 1298047710 /nfs/dbraw/zinc/04/77/10/1298047710.db2.gz RGGKBMGMHWBPKY-QYZOEREBSA-N 2 0 347.547 2.900 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001489230790 1298143901 /nfs/dbraw/zinc/14/39/01/1298143901.db2.gz FWPAOPPVHUULDN-CVEARBPZSA-N 2 0 347.906 2.780 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001490209423 1298602953 /nfs/dbraw/zinc/60/29/53/1298602953.db2.gz ZMOILJJTHYNUOT-ICSRJNTNSA-N 2 0 341.499 2.592 10 30 EFEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001490303778 1298723078 /nfs/dbraw/zinc/72/30/78/1298723078.db2.gz QOGNGUPAGBDYQB-APWZRJJASA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001490443390 1298871019 /nfs/dbraw/zinc/87/10/19/1298871019.db2.gz QWOQOCYMMKXDSP-LJQANCHMSA-N 2 0 343.515 2.951 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777282 1299242210 /nfs/dbraw/zinc/24/22/10/1299242210.db2.gz OUJUSSXGSWHNSG-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC2CCCCC2)CC1 ZINC001278194318 1313769693 /nfs/dbraw/zinc/76/96/93/1313769693.db2.gz KFGYPVGWKKNAAI-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@H](C)C1 ZINC000866617436 1303711495 /nfs/dbraw/zinc/71/14/95/1303711495.db2.gz JMFJGDQRCGTSSI-CZAAIQMYSA-N 2 0 341.499 2.752 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001490802378 1303943406 /nfs/dbraw/zinc/94/34/06/1303943406.db2.gz YIILTTUWJNZGIQ-KDURUIRLSA-N 2 0 335.536 2.974 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCC)CC2(C)C)CC1 ZINC001276622686 1314109550 /nfs/dbraw/zinc/10/95/50/1314109550.db2.gz AXTIRHLKNGRIFO-LJQANCHMSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[N@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001276624617 1314117528 /nfs/dbraw/zinc/11/75/28/1314117528.db2.gz KYOKDQJONVPHEY-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000900016850 1307604353 /nfs/dbraw/zinc/60/43/53/1307604353.db2.gz UJIYNGHNHQSVSX-UHFFFAOYSA-N 2 0 329.488 2.797 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000900435725 1308161373 /nfs/dbraw/zinc/16/13/73/1308161373.db2.gz DGYODCMGRNIUDA-UHFFFAOYSA-N 2 0 333.501 2.682 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000900468862 1308190527 /nfs/dbraw/zinc/19/05/27/1308190527.db2.gz WYYPFAYDEDCRBE-UHFFFAOYSA-N 2 0 347.528 2.990 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000900905549 1308897047 /nfs/dbraw/zinc/89/70/47/1308897047.db2.gz YQFWUVTXWUFOCP-HXUWFJFHSA-N 2 0 343.515 2.865 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000901309766 1310108652 /nfs/dbraw/zinc/10/86/52/1310108652.db2.gz XODXENVHLGENDR-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359905 1310224965 /nfs/dbraw/zinc/22/49/65/1310224965.db2.gz HBAARXPOLQNVQJ-IEBWSBKVSA-N 2 0 329.488 2.521 10 30 EFEERP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001276689434 1314385700 /nfs/dbraw/zinc/38/57/00/1314385700.db2.gz CZMYPHDJWBZTHY-AKHDSKFASA-N 2 0 335.536 2.735 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001276862730 1311216751 /nfs/dbraw/zinc/21/67/51/1311216751.db2.gz PHCMZGDEYIMCOZ-QGZVFWFLSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001276886655 1311253977 /nfs/dbraw/zinc/25/39/77/1311253977.db2.gz MRYRDTMLMHVIKP-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001284149789 1320237022 /nfs/dbraw/zinc/23/70/22/1320237022.db2.gz YLBJEKDWELWMAB-UXHICEINSA-N 2 0 343.515 2.754 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001159052042 1311441699 /nfs/dbraw/zinc/44/16/99/1311441699.db2.gz RTPCYZKNQUSLNU-HSALFYBXSA-N 2 0 341.499 2.521 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001284291719 1320306711 /nfs/dbraw/zinc/30/67/11/1320306711.db2.gz KXLQFYSCFUZEOB-MSOLQXFVSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001277069003 1311571858 /nfs/dbraw/zinc/57/18/58/1311571858.db2.gz QKFUWTKJQUUDSM-UAPYVXQJSA-N 2 0 333.520 2.559 10 30 EFEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001277279883 1311915508 /nfs/dbraw/zinc/91/55/08/1311915508.db2.gz KEPNOLCKTCAULR-HKUYNNGSSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277359561 1312053132 /nfs/dbraw/zinc/05/31/32/1312053132.db2.gz FEIDIARPEIPTMQ-QRVBRYPASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@]1(C)CCCCO1 ZINC000902740475 1312066994 /nfs/dbraw/zinc/06/69/94/1312066994.db2.gz VEBRSVDCPWXPBT-QUCCMNQESA-N 2 0 337.552 2.896 10 30 EFEERP C=CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@]1(C)CCCCO1 ZINC000902745622 1312071815 /nfs/dbraw/zinc/07/18/15/1312071815.db2.gz RSCAQNLZFXEWJV-PMACEKPBSA-N 2 0 337.552 2.898 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@]1(C)CCCCO1 ZINC000902794650 1312113259 /nfs/dbraw/zinc/11/32/59/1312113259.db2.gz XPLVZRZJPLXKKS-UXHICEINSA-N 2 0 337.552 2.898 10 30 EFEERP C=CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902794651 1312113563 /nfs/dbraw/zinc/11/35/63/1312113563.db2.gz XPLVZRZJPLXKKS-VQTJNVASSA-N 2 0 337.552 2.898 10 30 EFEERP C#CCC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001277417650 1312135068 /nfs/dbraw/zinc/13/50/68/1312135068.db2.gz QYXBPYDOTLDGFD-UHFFFAOYSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@]1(C)CCCCO1 ZINC000902833240 1312142011 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NFPFORJPARJTPP-QAPCUYQASA-N 2 0 327.488 2.505 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001277609874 1312621770 /nfs/dbraw/zinc/62/17/70/1312621770.db2.gz IMAJHBKTHJITHK-QFBILLFUSA-N 2 0 333.520 2.891 10 30 EFEERP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001318215731 1328529472 /nfs/dbraw/zinc/52/94/72/1328529472.db2.gz SFICSWDUTRIDNP-OALUTQOASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001278453110 1314648258 /nfs/dbraw/zinc/64/82/58/1314648258.db2.gz RFWBGQYQCDMKFP-NLWGTHIKSA-N 2 0 333.520 2.939 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001278473427 1314712328 /nfs/dbraw/zinc/71/23/28/1314712328.db2.gz INXLOSOVLQJLCC-AZUAARDMSA-N 2 0 333.520 2.942 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001278473429 1314712524 /nfs/dbraw/zinc/71/25/24/1314712524.db2.gz INXLOSOVLQJLCC-QUCCMNQESA-N 2 0 333.520 2.942 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCC)[C@@H](CC)C2)CC1 ZINC001276773161 1315154882 /nfs/dbraw/zinc/15/48/82/1315154882.db2.gz RRQIKXDVFIPKJQ-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001278580271 1315223871 /nfs/dbraw/zinc/22/38/71/1315223871.db2.gz OXLXPJDIWGULDR-ROUUACIJSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001278603324 1315263102 /nfs/dbraw/zinc/26/31/02/1315263102.db2.gz YRUPNGAJHMUYMF-PKOBYXMFSA-N 2 0 329.488 2.812 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278613366 1315293685 /nfs/dbraw/zinc/29/36/85/1315293685.db2.gz KVQCDYOAYUJMRS-MJGOQNOKSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001251417592 1315347153 /nfs/dbraw/zinc/34/71/53/1315347153.db2.gz JUTCKZKHNAFQFE-QGZVFWFLSA-N 2 0 338.540 2.646 10 30 EFEERP CC#CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C 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YSKHYKUIJRQEBO-TVPLGVNVSA-N 2 0 333.520 2.987 10 30 EFEERP C=C(C)CC[NH2+]CCc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001266086341 1317013458 /nfs/dbraw/zinc/01/34/58/1317013458.db2.gz LNXPQNQEFYGROI-UHFFFAOYSA-N 2 0 343.515 2.743 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266215011 1317155234 /nfs/dbraw/zinc/15/52/34/1317155234.db2.gz HHAAWBRBCKUFQU-YESZJQIVSA-N 2 0 341.927 2.830 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001279311405 1317233974 /nfs/dbraw/zinc/23/39/74/1317233974.db2.gz MKTLUYSTCIHQAV-HKUYNNGSSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001279380554 1317251966 /nfs/dbraw/zinc/25/19/66/1317251966.db2.gz SGVMUTDFRYARDO-KDURUIRLSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001279618467 1317332592 /nfs/dbraw/zinc/33/25/92/1317332592.db2.gz HZYFFBOWVBDMCG-SLFFLAALSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC/C=C\CC)C2)CC1 ZINC001280307184 1317503347 /nfs/dbraw/zinc/50/33/47/1317503347.db2.gz JUMFQOUYEYZVAN-VOFKWLDRSA-N 2 0 345.531 2.516 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001280365003 1317524957 /nfs/dbraw/zinc/52/49/57/1317524957.db2.gz LYUXQPPCONLRAE-QWFCFKBJSA-N 2 0 345.531 2.681 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001280367956 1317527915 /nfs/dbraw/zinc/52/79/15/1317527915.db2.gz XKVCEZAGYIMDHZ-NCXUSEDFSA-N 2 0 333.520 2.844 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001318803851 1328705770 /nfs/dbraw/zinc/70/57/70/1328705770.db2.gz JWXPANHXTRYOEF-MRXNPFEDSA-N 2 0 347.528 2.665 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001280394644 1317541654 /nfs/dbraw/zinc/54/16/54/1317541654.db2.gz UCRHWSYFVWGTCJ-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[NH+]1CCc2c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001280427076 1317556213 /nfs/dbraw/zinc/55/62/13/1317556213.db2.gz QREHRYUMPXTYGN-QGZVFWFLSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001318854589 1328723097 /nfs/dbraw/zinc/72/30/97/1328723097.db2.gz KFCQFTBQKGODKQ-KRWDZBQOSA-N 2 0 341.927 2.833 10 30 EFEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001281016199 1317969525 /nfs/dbraw/zinc/96/95/25/1317969525.db2.gz JYJIRPNUVQNXDT-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001281031921 1317982796 /nfs/dbraw/zinc/98/27/96/1317982796.db2.gz YKFPPOGQHVJWDS-GOSISDBHSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001281099969 1318013242 /nfs/dbraw/zinc/01/32/42/1318013242.db2.gz JNJMWXZAGMFWNM-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001318938838 1328746184 /nfs/dbraw/zinc/74/61/84/1328746184.db2.gz ZREMJNXYJSUUGT-UHFFFAOYSA-N 2 0 341.499 2.603 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)CCC)cc2C1 ZINC001281300458 1318157432 /nfs/dbraw/zinc/15/74/32/1318157432.db2.gz VLFWXSDUGWQBCT-UHFFFAOYSA-N 2 0 329.488 2.926 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001318953814 1328748545 /nfs/dbraw/zinc/74/85/45/1328748545.db2.gz VILDGLPMFFPROE-FHWLQOOXSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001281554291 1318445120 /nfs/dbraw/zinc/44/51/20/1318445120.db2.gz AZSFCJKMCJWFBN-RDJZCZTQSA-N 2 0 332.492 2.914 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001281775880 1318578131 /nfs/dbraw/zinc/57/81/31/1318578131.db2.gz FTUVDJOGAGQREE-FXAWDEMLSA-N 2 0 341.499 2.620 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001281775883 1318578165 /nfs/dbraw/zinc/57/81/65/1318578165.db2.gz FTUVDJOGAGQREE-YLJYHZDGSA-N 2 0 341.499 2.620 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CCC(=C)C)CC1 ZINC001281833163 1318596513 /nfs/dbraw/zinc/59/65/13/1318596513.db2.gz BQLSIQDJGGQPHO-FQEVSTJZSA-N 2 0 345.531 2.611 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001281834411 1318599171 /nfs/dbraw/zinc/59/91/71/1318599171.db2.gz YBWMZZCFCHMIQG-VQTJNVASSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001281905253 1318619728 /nfs/dbraw/zinc/61/97/28/1318619728.db2.gz IQFRXADKRZJGBT-YFVAEKQCSA-N 2 0 341.499 2.809 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001281975850 1318643047 /nfs/dbraw/zinc/64/30/47/1318643047.db2.gz QVQRIWMOEMCQRE-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001281976290 1318644913 /nfs/dbraw/zinc/64/49/13/1318644913.db2.gz UQJFWVYXVHAEOK-PMACEKPBSA-N 2 0 347.547 2.999 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001282221006 1318783937 /nfs/dbraw/zinc/78/39/37/1318783937.db2.gz XTOWFDGLYKUJDE-HOTGVXAUSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001319149346 1328791072 /nfs/dbraw/zinc/79/10/72/1328791072.db2.gz IWYYZAZMNONRHM-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001282567098 1319000927 /nfs/dbraw/zinc/00/09/27/1319000927.db2.gz GBRTXFYRCBUFME-RTBURBONSA-N 2 0 335.536 2.737 10 30 EFEERP CCCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001282713848 1319087907 /nfs/dbraw/zinc/08/79/07/1319087907.db2.gz AVKHSIXAFACIKL-QFBILLFUSA-N 2 0 335.536 2.735 10 30 EFEERP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC001282996237 1319247851 /nfs/dbraw/zinc/24/78/51/1319247851.db2.gz LGVJHYQTPKTGNJ-UKAVVXHISA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC001284072470 1320180247 /nfs/dbraw/zinc/18/02/47/1320180247.db2.gz RPYSMWKIVBYIAS-ICSRJNTNSA-N 2 0 344.503 2.822 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001319412199 1328877772 /nfs/dbraw/zinc/87/77/72/1328877772.db2.gz MBGDTYLPJQHCHG-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001284179312 1320253224 /nfs/dbraw/zinc/25/32/24/1320253224.db2.gz LWPSPGOEABKWGH-GOEBONIOSA-N 2 0 335.517 2.874 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C ZINC001284598727 1320431176 /nfs/dbraw/zinc/43/11/76/1320431176.db2.gz PPFDKIAMORGNAS-OAHLLOKOSA-N 2 0 335.517 2.567 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C(C)(C)C ZINC001284598726 1320431187 /nfs/dbraw/zinc/43/11/87/1320431187.db2.gz PPFDKIAMORGNAS-HNNXBMFYSA-N 2 0 335.517 2.567 10 30 EFEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319610082 1328929138 /nfs/dbraw/zinc/92/91/38/1328929138.db2.gz RIPZLCPGKSKFGL-MSOLQXFVSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCCC1 ZINC001319657681 1328940299 /nfs/dbraw/zinc/94/02/99/1328940299.db2.gz SWEPOIKQADPZEQ-VQTJNVASSA-N 2 0 347.547 2.785 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001319773901 1328984274 /nfs/dbraw/zinc/98/42/74/1328984274.db2.gz GEOMCYNBMQQRPU-VQIMIIECSA-N 2 0 339.499 2.746 10 30 EFEERP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001319867557 1329022013 /nfs/dbraw/zinc/02/20/13/1329022013.db2.gz FUXNCEXWALCLSC-PXNSSMCTSA-N 2 0 341.499 2.602 10 30 EFEERP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001319884663 1329028061 /nfs/dbraw/zinc/02/80/61/1329028061.db2.gz DXIQBKHWZCHUST-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCC(C)(C)C)C2)CC1 ZINC001491965921 1324089103 /nfs/dbraw/zinc/08/91/03/1324089103.db2.gz VQPGUWRIXMVIND-LJQANCHMSA-N 2 0 347.547 2.691 10 30 EFEERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001492128935 1324236209 /nfs/dbraw/zinc/23/62/09/1324236209.db2.gz JBPUHEVWNQIPMW-INIZCTEOSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316703963 1325047592 /nfs/dbraw/zinc/04/75/92/1325047592.db2.gz QNULFZMSCAIOSC-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001316714362 1325090013 /nfs/dbraw/zinc/09/00/13/1325090013.db2.gz NOXXDHDUSSYRSA-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759118 1325114062 /nfs/dbraw/zinc/11/40/62/1325114062.db2.gz ATOCBTHWHQPZKZ-MOPGFXCFSA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC2CCC(C)CC2)CC1 ZINC001316871303 1325240453 /nfs/dbraw/zinc/24/04/53/1325240453.db2.gz VYZCFWXKIWHYBV-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC/C=C\CC)CC2)CC1 ZINC001316937426 1325387867 /nfs/dbraw/zinc/38/78/67/1325387867.db2.gz NSUSPAJNHZNPPB-SREVYHEPSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001317099696 1325563861 /nfs/dbraw/zinc/56/38/61/1325563861.db2.gz INVRRMNQXHCGBY-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099794 1325564233 /nfs/dbraw/zinc/56/42/33/1325564233.db2.gz JVMBDHUFQUZJTL-PMACEKPBSA-N 2 0 345.531 2.589 10 30 EFEERP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317100183 1325565927 /nfs/dbraw/zinc/56/59/27/1325565927.db2.gz OAOYHJXFHMSMSY-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001317104368 1325572864 /nfs/dbraw/zinc/57/28/64/1325572864.db2.gz JAMYDBFUMGAGFD-RTBURBONSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106655 1325578108 /nfs/dbraw/zinc/57/81/08/1325578108.db2.gz YSDXQROHSYYCGK-AZUAARDMSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001321248250 1329362784 /nfs/dbraw/zinc/36/27/84/1329362784.db2.gz ACHTZWBCRZITCF-JCRZBSBLSA-N 2 0 339.499 2.816 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317141107 1327633934 /nfs/dbraw/zinc/63/39/34/1327633934.db2.gz XEUBMKQEMNQUMH-SFHVURJKSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317144146 1327637444 /nfs/dbraw/zinc/63/74/44/1327637444.db2.gz QQUFTSJGDBHIQZ-MJGOQNOKSA-N 2 0 329.488 2.694 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317191619 1327711571 /nfs/dbraw/zinc/71/15/71/1327711571.db2.gz IPHSGXBGLGJEHM-APWZRJJASA-N 2 0 339.499 2.746 10 30 EFEERP CC#CC[NH2+]C1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001317217365 1327761686 /nfs/dbraw/zinc/76/16/86/1327761686.db2.gz JLOYCHIXCVBPKM-UHFFFAOYSA-N 2 0 333.520 2.680 10 30 EFEERP CC#CC[NH2+]C1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001317218662 1327762587 /nfs/dbraw/zinc/76/25/87/1327762587.db2.gz KEYKCNFOPPIXCS-UHFFFAOYSA-N 2 0 333.520 2.681 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3cnc(C)n3C2)CC1 ZINC001317219958 1327765450 /nfs/dbraw/zinc/76/54/50/1327765450.db2.gz CUCTURFPHPYQNM-WWDZGPRUSA-N 2 0 344.503 2.737 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317375910 1327921675 /nfs/dbraw/zinc/92/16/75/1327921675.db2.gz MMPGMYROBCWEJS-ROUUACIJSA-N 2 0 333.520 2.892 10 30 EFEERP C#CC[NH+]1CCC[C@H]1CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317426894 1327995027 /nfs/dbraw/zinc/99/50/27/1327995027.db2.gz JVXXZEFVYLKALC-LJQANCHMSA-N 2 0 333.520 2.635 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)c1ccccc1 ZINC001317727777 1328337481 /nfs/dbraw/zinc/33/74/81/1328337481.db2.gz XQOUJKQVBTVMEC-RTWAWAEBSA-N 2 0 349.478 2.760 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001321875042 1329414211 /nfs/dbraw/zinc/41/42/11/1329414211.db2.gz BZKFEBYFLCUAHK-BJLQDIEVSA-N 2 0 341.499 2.556 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001317869339 1328427068 /nfs/dbraw/zinc/42/70/68/1328427068.db2.gz BKGYHIMTJRGUMK-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CCc2nccn2C)CC1 ZINC001317876145 1328432161 /nfs/dbraw/zinc/43/21/61/1328432161.db2.gz CIEPRIUCACUBCE-QGZVFWFLSA-N 2 0 346.519 2.878 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317988621 1328470528 /nfs/dbraw/zinc/47/05/28/1328470528.db2.gz YQBAYAQTYDLFKC-IBGZPJMESA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001318047175 1328483467 /nfs/dbraw/zinc/48/34/67/1328483467.db2.gz IMRQVZIUOVJJPX-INIZCTEOSA-N 2 0 329.488 2.559 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322360970 1329452214 /nfs/dbraw/zinc/45/22/14/1329452214.db2.gz REVRPXCZPAUKBA-MOPGFXCFSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001323658378 1329559400 /nfs/dbraw/zinc/55/94/00/1329559400.db2.gz YHUBTIBQPPGCOP-AYHJJNSGSA-N 2 0 333.520 2.939 10 30 EFEERP C=CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CCCCCC1 ZINC001323709063 1329563863 /nfs/dbraw/zinc/56/38/63/1329563863.db2.gz UCHQQEXPNFFEEG-UHFFFAOYSA-N 2 0 333.520 2.942 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001323736153 1329566886 /nfs/dbraw/zinc/56/68/86/1329566886.db2.gz KRZQWQOGCYYFIY-ICSRJNTNSA-N 2 0 347.547 2.996 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001323736156 1329567054 /nfs/dbraw/zinc/56/70/54/1329567054.db2.gz KRZQWQOGCYYFIY-UYAOXDASSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001323804066 1329572654 /nfs/dbraw/zinc/57/26/54/1329572654.db2.gz RLGSNNYIIHDKLB-ZVDOUQERSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001323830777 1329575972 /nfs/dbraw/zinc/57/59/72/1329575972.db2.gz BXWSVUZVYKYAOU-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001324332784 1329617653 /nfs/dbraw/zinc/61/76/53/1329617653.db2.gz CAQVXZDYTRDTET-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001324420533 1329625566 /nfs/dbraw/zinc/62/55/66/1329625566.db2.gz VFBSKKDLQPYIPI-UHFFFAOYSA-N 2 0 349.563 2.937 10 30 EFEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001324440671 1329627803 /nfs/dbraw/zinc/62/78/03/1329627803.db2.gz FBHHOEOIOUWMDE-KDURUIRLSA-N 2 0 345.531 2.752 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC001324481988 1329631885 /nfs/dbraw/zinc/63/18/85/1329631885.db2.gz JFZUMDHUYOKUSL-IBGZPJMESA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC001324481990 1329632076 /nfs/dbraw/zinc/63/20/76/1329632076.db2.gz JFZUMDHUYOKUSL-LJQANCHMSA-N 2 0 333.520 2.539 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001324504710 1329633895 /nfs/dbraw/zinc/63/38/95/1329633895.db2.gz DNWVIRTVMISNPR-FQEVSTJZSA-N 2 0 341.499 2.650 10 30 EFEERP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001324557750 1329639828 /nfs/dbraw/zinc/63/98/28/1329639828.db2.gz UEHLGILUTMPDFH-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001325633368 1329702933 /nfs/dbraw/zinc/70/29/33/1329702933.db2.gz YDYUJXHTYOZMLY-FNLKRUPLSA-N 2 0 345.531 2.633 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001325666278 1329705260 /nfs/dbraw/zinc/70/52/60/1329705260.db2.gz UJSQOEZKUCHGJY-UFYCRDLUSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001325701682 1329707468 /nfs/dbraw/zinc/70/74/68/1329707468.db2.gz OKSYNFFYDISUPF-LJQANCHMSA-N 2 0 341.499 2.503 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001325900938 1329722777 /nfs/dbraw/zinc/72/27/77/1329722777.db2.gz UJCFDUYCNFAMRO-RCCFBDPRSA-N 2 0 339.499 2.698 10 30 EFEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001326450098 1329757724 /nfs/dbraw/zinc/75/77/24/1329757724.db2.gz VZVKRVDKNLJPKM-FQEVSTJZSA-N 2 0 341.499 2.631 10 30 EFEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001326482511 1329759950 /nfs/dbraw/zinc/75/99/50/1329759950.db2.gz XJYSZCZMVWQUDU-IAGOWNOFSA-N 2 0 329.488 2.871 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](c2ccccc2)N(C)C)cc1 ZINC001326490359 1329760494 /nfs/dbraw/zinc/76/04/94/1329760494.db2.gz PYEIGICWURSPAG-DYESRHJHSA-N 2 0 349.478 2.890 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001326555775 1330317015 /nfs/dbraw/zinc/31/70/15/1330317015.db2.gz ZXWOLUQGRGONMH-MISYRCLQSA-N 2 0 341.499 2.577 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001326585827 1330322419 /nfs/dbraw/zinc/32/24/19/1330322419.db2.gz NHJVSXUKXDIHHE-SFHVURJKSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CC2CCCCC2)CC1 ZINC001327291873 1330452333 /nfs/dbraw/zinc/45/23/33/1330452333.db2.gz UAJOEUXDEPYWSW-UHFFFAOYSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001327307448 1330457027 /nfs/dbraw/zinc/45/70/27/1330457027.db2.gz CZEGYZNBAWEKPW-MOPGFXCFSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001327488845 1330485959 /nfs/dbraw/zinc/48/59/59/1330485959.db2.gz SBNKEQQWRPXLEY-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001327531812 1330496379 /nfs/dbraw/zinc/49/63/79/1330496379.db2.gz UPQNTACRESHFBT-HXUWFJFHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CCC[NH2+]1 ZINC001327601207 1330499667 /nfs/dbraw/zinc/49/96/67/1330499667.db2.gz JADXEQQZQXTHRE-OAQYLSRUSA-N 2 0 341.499 2.728 10 30 EFEERP C#CCC[NH+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@H+]3C)cc2C1 ZINC001327684381 1330508422 /nfs/dbraw/zinc/50/84/22/1330508422.db2.gz CTWVEIPGFLTATG-HXUWFJFHSA-N 2 0 339.483 2.516 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001327868659 1330524622 /nfs/dbraw/zinc/52/46/22/1330524622.db2.gz PWKUWHIMEKSJRA-HOCLYGCPSA-N 2 0 335.517 2.826 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001327990756 1330538489 /nfs/dbraw/zinc/53/84/89/1330538489.db2.gz MDQWVVYDZKPDRD-UHFFFAOYSA-N 2 0 335.517 2.970 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC/C=C\CC)CC2)CC1 ZINC001328049983 1330546237 /nfs/dbraw/zinc/54/62/37/1330546237.db2.gz JXWKXRBAAHGDFL-SREVYHEPSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001328099344 1330555779 /nfs/dbraw/zinc/55/57/79/1330555779.db2.gz UFCZYNLDBKGZBR-QZTJIDSGSA-N 2 0 329.488 2.692 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001328588147 1330605640 /nfs/dbraw/zinc/60/56/40/1330605640.db2.gz RVHIGLSCIJXHIK-INIZCTEOSA-N 2 0 332.492 2.867 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328588875 1330606199 /nfs/dbraw/zinc/60/61/99/1330606199.db2.gz ODHPFJXOXUZZRJ-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001328811772 1330637048 /nfs/dbraw/zinc/63/70/48/1330637048.db2.gz FQZBQHYZEDVTNM-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001329110838 1330668482 /nfs/dbraw/zinc/66/84/82/1330668482.db2.gz QHYLCOGYQJDUPZ-CVEARBPZSA-N 2 0 349.906 2.516 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329167119 1330675564 /nfs/dbraw/zinc/67/55/64/1330675564.db2.gz JXBKDKAMXVQCTR-HZPDHXFCSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001329241110 1330685114 /nfs/dbraw/zinc/68/51/14/1330685114.db2.gz RPXXYONAAIVFFY-UHFFFAOYSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001329291795 1330690787 /nfs/dbraw/zinc/69/07/87/1330690787.db2.gz YLODXNVOLBQMBL-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001329308445 1330692788 /nfs/dbraw/zinc/69/27/88/1330692788.db2.gz WMTQRUVYPPINIP-UHFFFAOYSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001330512200 1330763822 /nfs/dbraw/zinc/76/38/22/1330763822.db2.gz NCRZSPAUBQXUSM-RBUKOAKNSA-N 2 0 345.531 2.894 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001330657639 1330764591 /nfs/dbraw/zinc/76/45/91/1330764591.db2.gz ZWMHZIQSBFCPCL-GPMSIDNRSA-N 2 0 339.499 2.650 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001331175885 1330802136 /nfs/dbraw/zinc/80/21/36/1330802136.db2.gz DPGYHCMPHCSGKS-WOJBJXKFSA-N 2 0 341.499 2.720 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001331507878 1330845411 /nfs/dbraw/zinc/84/54/11/1330845411.db2.gz YASQGYZZPHELQH-CVEARBPZSA-N 2 0 341.459 2.672 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001331507883 1330845675 /nfs/dbraw/zinc/84/56/75/1330845675.db2.gz YASQGYZZPHELQH-JKSUJKDBSA-N 2 0 341.459 2.672 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001331903315 1330888444 /nfs/dbraw/zinc/88/84/44/1330888444.db2.gz PIGAAJQTVMWVAW-CRAIPNDOSA-N 2 0 326.444 2.802 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001331927563 1330891970 /nfs/dbraw/zinc/89/19/70/1330891970.db2.gz YSSISSMPOMXEMW-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001332151498 1330929534 /nfs/dbraw/zinc/92/95/34/1330929534.db2.gz ZCRODJOCAONNNI-IPMKNSEASA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC/C=C\CCC)C2)CC1 ZINC001333153738 1331086003 /nfs/dbraw/zinc/08/60/03/1331086003.db2.gz NCLGJTZIBRFAFO-FPLPWBNLSA-N 2 0 345.531 2.657 10 30 EFEERP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001333433446 1331142732 /nfs/dbraw/zinc/14/27/32/1331142732.db2.gz PFDFQVTYITVUJQ-MOPGFXCFSA-N 2 0 333.520 2.821 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)c1 ZINC001333474261 1331151890 /nfs/dbraw/zinc/15/18/90/1331151890.db2.gz YYPONVSUOZNDNF-RDJZCZTQSA-N 2 0 347.478 2.838 10 30 EFEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001341221425 1332243848 /nfs/dbraw/zinc/24/38/48/1332243848.db2.gz XXONHKCWJHSIKN-SJORKVTESA-N 2 0 343.471 2.514 10 30 EFEERP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001341221421 1332243869 /nfs/dbraw/zinc/24/38/69/1332243869.db2.gz XXONHKCWJHSIKN-IAGOWNOFSA-N 2 0 343.471 2.514 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001480272686 1333517290 /nfs/dbraw/zinc/51/72/90/1333517290.db2.gz YAMPXVSSUYSYHL-SFFCAUCYSA-N 2 0 345.531 2.516 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480283972 1333547333 /nfs/dbraw/zinc/54/73/33/1333547333.db2.gz OSTJDRQCQYNAHD-UYAOXDASSA-N 2 0 347.547 2.903 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC001353111204 1333931277 /nfs/dbraw/zinc/93/12/77/1333931277.db2.gz XYDXEJDYAQQINE-FQEVSTJZSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001480737540 1337900054 /nfs/dbraw/zinc/90/00/54/1337900054.db2.gz ZZQKVYSMJVSVHH-FQEVSTJZSA-N 2 0 343.515 2.660 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001366777078 1337996028 /nfs/dbraw/zinc/99/60/28/1337996028.db2.gz AYARCUXOKFWYEV-NVXWUHKLSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001366830816 1338084983 /nfs/dbraw/zinc/08/49/83/1338084983.db2.gz ANBWZTKOOWUQMC-DLBZAZTESA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001366841673 1338102291 /nfs/dbraw/zinc/10/22/91/1338102291.db2.gz MABAWIJBCOXTSZ-IAGOWNOFSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001368144845 1339217187 /nfs/dbraw/zinc/21/71/87/1339217187.db2.gz MHVIBHKMPMIHLG-GOSISDBHSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001368353633 1339312700 /nfs/dbraw/zinc/31/27/00/1339312700.db2.gz SZSUEUVQRSXMAD-YOEHRIQHSA-N 2 0 341.927 2.543 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001368880063 1339816029 /nfs/dbraw/zinc/81/60/29/1339816029.db2.gz RGOWFMYHYZKBFX-CABCVRRESA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001372990640 1340865734 /nfs/dbraw/zinc/86/57/34/1340865734.db2.gz GJXAYDGIHOOKDY-WBVHZDCISA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001373837313 1341168777 /nfs/dbraw/zinc/16/87/77/1341168777.db2.gz SQDQTLWEACDNCL-HOTGVXAUSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001374178938 1341519118 /nfs/dbraw/zinc/51/91/18/1341519118.db2.gz GTZPBNMJZZSKEH-MRXNPFEDSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001375533246 1342844626 /nfs/dbraw/zinc/84/46/26/1342844626.db2.gz FLQIBVAVEHZDOK-SHTZXODSSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001375585913 1342905258 /nfs/dbraw/zinc/90/52/58/1342905258.db2.gz GJCHGOVOUZVTSH-OIISXLGYSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001375792657 1343020635 /nfs/dbraw/zinc/02/06/35/1343020635.db2.gz ZIGWHNJIMQWNLF-IAGOWNOFSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001376616297 1343724020 /nfs/dbraw/zinc/72/40/20/1343724020.db2.gz PTCSPJASBVEWJC-UHFFFAOYSA-N 2 0 339.911 2.539 10 30 EFEERP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001377637511 1344246137 /nfs/dbraw/zinc/24/61/37/1344246137.db2.gz FJNJVQHBCMHUDT-SJORKVTESA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001377637502 1344246342 /nfs/dbraw/zinc/24/63/42/1344246342.db2.gz FJNJVQHBCMHUDT-IRXDYDNUSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001378844827 1345357146 /nfs/dbraw/zinc/35/71/46/1345357146.db2.gz LUWWNGPWHPWHLF-ZOBUZTSGSA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001378872516 1345381639 /nfs/dbraw/zinc/38/16/39/1345381639.db2.gz QIUMKUNSDFGDKM-KBAYOESNSA-N 2 0 349.906 2.916 10 30 EFEERP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001393882223 1357248399 /nfs/dbraw/zinc/24/83/99/1357248399.db2.gz KFXTYFJCQSEDJN-HOTGVXAUSA-N 2 0 329.916 2.782 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001379135263 1345613279 /nfs/dbraw/zinc/61/32/79/1345613279.db2.gz VSZCUHCNJGTBPY-HZPDHXFCSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001380163040 1347542859 /nfs/dbraw/zinc/54/28/59/1347542859.db2.gz LNDWCBQOTBGQLB-UHFFFAOYSA-N 2 0 341.927 2.971 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001380443627 1347674802 /nfs/dbraw/zinc/67/48/02/1347674802.db2.gz QUEXJGQRMXDZAG-AEFFLSMTSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001390148931 1353862956 /nfs/dbraw/zinc/86/29/56/1353862956.db2.gz GUKMWMBRQKVFHK-SJORKVTESA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001392166098 1355820144 /nfs/dbraw/zinc/82/01/44/1355820144.db2.gz NDQLABDOYHNVMJ-DJIMGWMZSA-N 2 0 341.927 2.734 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001397814346 1360166638 /nfs/dbraw/zinc/16/66/38/1360166638.db2.gz QWWDLDDOYXHQOG-CABCVRRESA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001401274996 1362619227 /nfs/dbraw/zinc/61/92/27/1362619227.db2.gz YVOWHTSOACYXAA-CVEARBPZSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001401304794 1362650382 /nfs/dbraw/zinc/65/03/82/1362650382.db2.gz QYUDERWFYQWOIQ-RDJZCZTQSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001402832644 1364078997 /nfs/dbraw/zinc/07/89/97/1364078997.db2.gz ZYCLIWXWUQZJNN-JCYILVPMSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001403603651 1364807992 /nfs/dbraw/zinc/80/79/92/1364807992.db2.gz AGMBPPKKXORRFQ-NVXWUHKLSA-N 2 0 337.895 2.868 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001403807256 1364961769 /nfs/dbraw/zinc/96/17/69/1364961769.db2.gz TWFJDTSRTPVYJA-ROUUACIJSA-N 2 0 349.906 2.540 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001403807253 1364962054 /nfs/dbraw/zinc/96/20/54/1364962054.db2.gz TWFJDTSRTPVYJA-QZTJIDSGSA-N 2 0 349.906 2.540 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1(C)C ZINC001403813222 1364968242 /nfs/dbraw/zinc/96/82/42/1364968242.db2.gz FAOPYUYZIYUGKI-CQSZACIVSA-N 2 0 329.916 2.543 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001404326154 1365451810 /nfs/dbraw/zinc/45/18/10/1365451810.db2.gz GBLXYVKKZKYVLT-RDJZCZTQSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001405945051 1366984497 /nfs/dbraw/zinc/98/44/97/1366984497.db2.gz FMQJMFHVVMAYOW-RHSMWYFYSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001408006840 1369521351 /nfs/dbraw/zinc/52/13/51/1369521351.db2.gz VXTHBWWXSONGBX-HOTGVXAUSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001408108257 1369613692 /nfs/dbraw/zinc/61/36/92/1369613692.db2.gz IOKBGSGDXTVPAV-HNNXBMFYSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001418022182 1373534482 /nfs/dbraw/zinc/53/44/82/1373534482.db2.gz RPAUGOFZJFTZLS-SJORKVTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001418844037 1374567120 /nfs/dbraw/zinc/56/71/20/1374567120.db2.gz IZDKFTQRDRNYIV-HNNXBMFYSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001418844042 1374567191 /nfs/dbraw/zinc/56/71/91/1374567191.db2.gz IZDKFTQRDRNYIV-OAHLLOKOSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001419413659 1375241252 /nfs/dbraw/zinc/24/12/52/1375241252.db2.gz GMURVNKODQCYEI-HOTGVXAUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001419615709 1375547486 /nfs/dbraw/zinc/54/74/86/1375547486.db2.gz FPZCKIDWJRUWQV-DLBZAZTESA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001419626027 1375575382 /nfs/dbraw/zinc/57/53/82/1375575382.db2.gz RPHBMYSRQSCBDH-JKSUJKDBSA-N 2 0 327.900 2.536 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001419769078 1375844645 /nfs/dbraw/zinc/84/46/45/1375844645.db2.gz QANKZVWVEOPQQS-HZPDHXFCSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001421017356 1378027467 /nfs/dbraw/zinc/02/74/67/1378027467.db2.gz UMJNGJVENPQPTK-UHFFFAOYSA-N 2 0 341.927 2.976 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001421952282 1379399693 /nfs/dbraw/zinc/39/96/93/1379399693.db2.gz NSLCDKGCIXNHHG-UHFFFAOYSA-N 2 0 329.916 2.832 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001422276742 1379892020 /nfs/dbraw/zinc/89/20/20/1379892020.db2.gz BJDHROPZYYSYPQ-UHFFFAOYSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001506798718 1406286259 /nfs/dbraw/zinc/28/62/59/1406286259.db2.gz YFFZKKPEGZNJPY-LDLYASANSA-N 2 0 347.547 2.900 10 30 EFEERP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001506863509 1406367891 /nfs/dbraw/zinc/36/78/91/1406367891.db2.gz ZOKFVFKTLWKLFO-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001441102469 1391094482 /nfs/dbraw/zinc/09/44/82/1391094482.db2.gz KMYLFIXEVRBTNM-HOTGVXAUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441121911 1391116676 /nfs/dbraw/zinc/11/66/76/1391116676.db2.gz VAIRSEHPTDZBRT-HRCADAONSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001441306639 1391244513 /nfs/dbraw/zinc/24/45/13/1391244513.db2.gz QAWUIMWEJUEUDZ-HZPDHXFCSA-N 2 0 347.906 2.589 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001441306633 1391244818 /nfs/dbraw/zinc/24/48/18/1391244818.db2.gz QAWUIMWEJUEUDZ-CVEARBPZSA-N 2 0 347.906 2.589 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441617163 1391387174 /nfs/dbraw/zinc/38/71/74/1391387174.db2.gz IXTBBWDQWHMTEG-IAGOWNOFSA-N 2 0 341.927 2.688 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001506978474 1406538154 /nfs/dbraw/zinc/53/81/54/1406538154.db2.gz PEVUDNIFLFFMJJ-UHFFFAOYSA-N 2 0 329.488 2.861 10 30 EFEERP C=CCC[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460888032 1396267521 /nfs/dbraw/zinc/26/75/21/1396267521.db2.gz YFWAHXXOIHUYOH-MOPGFXCFSA-N 2 0 329.488 2.836 10 30 EFEERP C#CC[N@@H+](CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001462255202 1396429749 /nfs/dbraw/zinc/42/97/49/1396429749.db2.gz MYJWMFVXZWJJMF-UHFFFAOYSA-N 2 0 341.455 2.947 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001507296584 1406861611 /nfs/dbraw/zinc/86/16/11/1406861611.db2.gz JQDCOMCAQPVICL-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479302346 1397673600 /nfs/dbraw/zinc/67/36/00/1397673600.db2.gz KAUYCJJPQRXWDW-OKZBNKHCSA-N 2 0 333.520 2.702 10 30 EFEERP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479423906 1397722851 /nfs/dbraw/zinc/72/28/51/1397722851.db2.gz CQMZMMGICLXITE-XUVXKRRUSA-N 2 0 343.515 2.877 10 30 EFEERP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001479501592 1397739257 /nfs/dbraw/zinc/73/92/57/1397739257.db2.gz KYEXFMDLTOZAAA-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479833807 1397928782 /nfs/dbraw/zinc/92/87/82/1397928782.db2.gz LMWAJAQXLJXQKV-APWZRJJASA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001479887802 1398002382 /nfs/dbraw/zinc/00/23/82/1398002382.db2.gz RAKMTNSOJCTIAP-LPHOPBHVSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001479982391 1398067773 /nfs/dbraw/zinc/06/77/73/1398067773.db2.gz IJNBYPLUHKLOCS-GOSISDBHSA-N 2 0 345.531 2.799 10 30 EFEERP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCCCCC)CCC[C@@H]12 ZINC001507350431 1406932047 /nfs/dbraw/zinc/93/20/47/1406932047.db2.gz NOPJYPQJBNVJQL-QUCCMNQESA-N 2 0 333.520 2.635 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480158423 1398132916 /nfs/dbraw/zinc/13/29/16/1398132916.db2.gz PHMSNZSCMDOPKL-YKTARERQSA-N 2 0 339.499 2.790 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001480365067 1398179488 /nfs/dbraw/zinc/17/94/88/1398179488.db2.gz NBZWQHVSGUMGNY-VQTJNVASSA-N 2 0 341.499 2.673 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001480367406 1398181291 /nfs/dbraw/zinc/18/12/91/1398181291.db2.gz JGFMISBOTMZFTP-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001480407727 1398189652 /nfs/dbraw/zinc/18/96/52/1398189652.db2.gz FHEQTKXCZUXNTJ-GPANFISMSA-N 2 0 329.916 2.876 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001480407728 1398189968 /nfs/dbraw/zinc/18/99/68/1398189968.db2.gz FHEQTKXCZUXNTJ-UYSNPLJNSA-N 2 0 329.916 2.876 10 30 EFEERP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507358378 1406947619 /nfs/dbraw/zinc/94/76/19/1406947619.db2.gz WGIOBQCOWVAZHY-QUCCMNQESA-N 2 0 333.520 2.942 10 30 EFEERP C#CCC[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001507361072 1406952045 /nfs/dbraw/zinc/95/20/45/1406952045.db2.gz ZLKRSZDDAOHEER-CTNGQTDRSA-N 2 0 345.531 2.778 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001493267002 1398575125 /nfs/dbraw/zinc/57/51/25/1398575125.db2.gz LZTNIUMQCJNTAF-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CCC(=C)C)CC2)CC1 ZINC001493851605 1398923774 /nfs/dbraw/zinc/92/37/74/1398923774.db2.gz VYQFXWJQLYFBPD-SFHVURJKSA-N 2 0 345.531 2.515 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001493877443 1398945170 /nfs/dbraw/zinc/94/51/70/1398945170.db2.gz AEORUQNBACVWDT-UXHICEINSA-N 2 0 341.499 2.532 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001493879061 1398947433 /nfs/dbraw/zinc/94/74/33/1398947433.db2.gz UDQNGRMLNIWHTR-WOJBJXKFSA-N 2 0 343.515 2.920 10 30 EFEERP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001493889024 1398956098 /nfs/dbraw/zinc/95/60/98/1398956098.db2.gz MKNQBRORIKPATI-VQTJNVASSA-N 2 0 341.499 2.742 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904412 1398969967 /nfs/dbraw/zinc/96/99/67/1398969967.db2.gz HEPNZFDFKGLBSD-RBUKOAKNSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001494198604 1399206421 /nfs/dbraw/zinc/20/64/21/1399206421.db2.gz AHJMEQNQUUCYBX-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001494202049 1399209634 /nfs/dbraw/zinc/20/96/34/1399209634.db2.gz PCQZKNYDFCDTIV-UHFFFAOYSA-N 2 0 341.927 2.784 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001494201455 1399209724 /nfs/dbraw/zinc/20/97/24/1399209724.db2.gz IJOXEXJPXSAQOM-UHFFFAOYSA-N 2 0 343.515 2.761 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001507426790 1407041136 /nfs/dbraw/zinc/04/11/36/1407041136.db2.gz HDXXVQUGIVXGCN-LPHOPBHVSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001507443755 1407058821 /nfs/dbraw/zinc/05/88/21/1407058821.db2.gz MNCSMKVNZCDUHK-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001495381445 1399927770 /nfs/dbraw/zinc/92/77/70/1399927770.db2.gz XAMJPGOEMYXCRG-ICSRJNTNSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001495416633 1399961858 /nfs/dbraw/zinc/96/18/58/1399961858.db2.gz XVLUHIFSXXIYMB-LJQANCHMSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001495459010 1399997675 /nfs/dbraw/zinc/99/76/75/1399997675.db2.gz YSKHYKUIJRQEBO-LNLFQRSKSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001495470183 1400007299 /nfs/dbraw/zinc/00/72/99/1400007299.db2.gz MAIANDGEIXRYOH-MXVIHJGJSA-N 2 0 343.515 2.997 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001495488209 1400022699 /nfs/dbraw/zinc/02/26/99/1400022699.db2.gz JYLWEGWYZVOPCN-HXUWFJFHSA-N 2 0 341.499 2.985 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001495560175 1400082972 /nfs/dbraw/zinc/08/29/72/1400082972.db2.gz FRIZWVLNEWEPLA-MRXNPFEDSA-N 2 0 335.517 2.970 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001495596386 1400103553 /nfs/dbraw/zinc/10/35/53/1400103553.db2.gz LGDRRJKIKINAEL-MRXNPFEDSA-N 2 0 327.900 2.586 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001496275560 1400592456 /nfs/dbraw/zinc/59/24/56/1400592456.db2.gz OBPLLIUSBMQNTG-INIZCTEOSA-N 2 0 341.927 2.735 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001496313506 1400629490 /nfs/dbraw/zinc/62/94/90/1400629490.db2.gz XGBPUDLHRHHJEU-RBUKOAKNSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCCC1 ZINC001496324263 1400640777 /nfs/dbraw/zinc/64/07/77/1400640777.db2.gz DMOKEEXYYAROQK-HXUWFJFHSA-N 2 0 341.499 2.650 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496453208 1400742453 /nfs/dbraw/zinc/74/24/53/1400742453.db2.gz XXHQUGRDUDUHGD-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573197 1400837522 /nfs/dbraw/zinc/83/75/22/1400837522.db2.gz AXUVILDSQXEHEB-JKSUJKDBSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573194 1400838135 /nfs/dbraw/zinc/83/81/35/1400838135.db2.gz AXUVILDSQXEHEB-HZPDHXFCSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001496867718 1401064251 /nfs/dbraw/zinc/06/42/51/1401064251.db2.gz GIPQOHLAPBOBSC-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC/C=C\CC)CC1 ZINC001496918680 1401101956 /nfs/dbraw/zinc/10/19/56/1401101956.db2.gz QKCWEQXIWBUTDV-SBUVDCAVSA-N 2 0 345.531 2.562 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001507939185 1407217470 /nfs/dbraw/zinc/21/74/70/1407217470.db2.gz NPAOTKXSFRUYIX-IEBWSBKVSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498489957 1402142257 /nfs/dbraw/zinc/14/22/57/1402142257.db2.gz LRMCTGUOROZOGP-ICSRJNTNSA-N 2 0 347.547 2.929 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001508029268 1407248673 /nfs/dbraw/zinc/24/86/73/1407248673.db2.gz DMAUUQOXHLSONM-RTBURBONSA-N 2 0 343.515 2.823 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001498890095 1402362086 /nfs/dbraw/zinc/36/20/86/1402362086.db2.gz PSXXNUAQPGFSCA-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)CC1 ZINC001508039102 1407257616 /nfs/dbraw/zinc/25/76/16/1407257616.db2.gz YDIYYAPSEQQSRF-SFHVURJKSA-N 2 0 349.563 2.888 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001499228172 1402529001 /nfs/dbraw/zinc/52/90/01/1402529001.db2.gz DYGNIYZYGOOKLE-QGZVFWFLSA-N 2 0 333.520 2.846 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001499477772 1402632186 /nfs/dbraw/zinc/63/21/86/1402632186.db2.gz HNJMFDHGKWJAQV-UXHICEINSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001499477508 1402632255 /nfs/dbraw/zinc/63/22/55/1402632255.db2.gz DOCLZHGFZQBQAJ-PKOBYXMFSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001499479144 1402634255 /nfs/dbraw/zinc/63/42/55/1402634255.db2.gz VPYOAMIAORANMJ-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CCCCCC1 ZINC001499522473 1402658512 /nfs/dbraw/zinc/65/85/12/1402658512.db2.gz JGXOKJGQYVGVOI-PMACEKPBSA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001499527498 1402662772 /nfs/dbraw/zinc/66/27/72/1402662772.db2.gz LLGAWTDFJOZEJA-FQEVSTJZSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001499606683 1402713909 /nfs/dbraw/zinc/71/39/09/1402713909.db2.gz RRANYWUYDNNPTG-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001499606682 1402714068 /nfs/dbraw/zinc/71/40/68/1402714068.db2.gz RRANYWUYDNNPTG-AZUAARDMSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C/CC)C[C@H]2C)CC1 ZINC001499857773 1402824662 /nfs/dbraw/zinc/82/46/62/1402824662.db2.gz NGJBDTALANYVIX-PVTFFILZSA-N 2 0 345.531 2.657 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001500041750 1402909716 /nfs/dbraw/zinc/90/97/16/1402909716.db2.gz BNVONLNQNCWMIM-GOSISDBHSA-N 2 0 347.528 2.515 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001500122627 1402945982 /nfs/dbraw/zinc/94/59/82/1402945982.db2.gz HXIFQKDHZMLQFH-WMZOPIPTSA-N 2 0 333.520 2.702 10 30 EFEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001500161296 1402962570 /nfs/dbraw/zinc/96/25/70/1402962570.db2.gz JWAAXUOGASMDBY-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001500164461 1402963485 /nfs/dbraw/zinc/96/34/85/1402963485.db2.gz ZXYLFNYLJIPJQE-HXUWFJFHSA-N 2 0 345.531 2.753 10 30 EFEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001500347537 1403067165 /nfs/dbraw/zinc/06/71/65/1403067165.db2.gz HYNJGUFXLLDAPR-YLJYHZDGSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001500433561 1403119248 /nfs/dbraw/zinc/11/92/48/1403119248.db2.gz CXDAMNNXLFUDJT-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001501015957 1403405849 /nfs/dbraw/zinc/40/58/49/1403405849.db2.gz PYVVIOLISPGKTN-LJQANCHMSA-N 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C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001501166321 1403470881 /nfs/dbraw/zinc/47/08/81/1403470881.db2.gz OMCOFYFSDOVBGY-UJWQCDCRSA-N 2 0 333.520 2.652 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001501188150 1403483278 /nfs/dbraw/zinc/48/32/78/1403483278.db2.gz CDDVFMUODQEVAP-UFYCRDLUSA-N 2 0 347.547 2.786 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCCC)CC1 ZINC001501407333 1403592207 /nfs/dbraw/zinc/59/22/07/1403592207.db2.gz BKJYSFCOWZGSBA-PMACEKPBSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001501422353 1403599344 /nfs/dbraw/zinc/59/93/44/1403599344.db2.gz MPQIVTKKXFIPKG-CADBVGFASA-N 2 0 333.520 2.748 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001501618336 1403648937 /nfs/dbraw/zinc/64/89/37/1403648937.db2.gz KJTUIFVPUSOCTI-OAHLLOKOSA-N 2 0 329.916 2.545 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001508210606 1407347474 /nfs/dbraw/zinc/34/74/74/1407347474.db2.gz DKAUVXSIZAZBIB-AOIWGVFYSA-N 2 0 333.520 2.820 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001501651256 1403668525 /nfs/dbraw/zinc/66/85/25/1403668525.db2.gz MVOQNVLAEDQOHZ-RBUKOAKNSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001501651391 1403668596 /nfs/dbraw/zinc/66/85/96/1403668596.db2.gz ONQLYDOHVOXXKX-KRWDZBQOSA-N 2 0 341.927 2.833 10 30 EFEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001501665835 1403685142 /nfs/dbraw/zinc/68/51/42/1403685142.db2.gz RIWTYAZEZFPJDV-UHFFFAOYSA-N 2 0 341.499 2.632 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001501697358 1403729392 /nfs/dbraw/zinc/72/93/92/1403729392.db2.gz YUCZOEZKANHCMV-HNBVOPMISA-N 2 0 347.547 2.948 10 30 EFEERP C=CCC[NH+]1CC=C(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001508220203 1407356864 /nfs/dbraw/zinc/35/68/64/1407356864.db2.gz RNOSAMJCCLDXPK-IBGZPJMESA-N 2 0 337.483 2.523 10 30 EFEERP C=CCCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001501854371 1403828080 /nfs/dbraw/zinc/82/80/80/1403828080.db2.gz PVMQFBVADKXAEL-HXUWFJFHSA-N 2 0 343.515 2.967 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001502126452 1404020688 /nfs/dbraw/zinc/02/06/88/1404020688.db2.gz YKAYPWIJIPCGCV-JKSUJKDBSA-N 2 0 327.900 2.584 10 30 EFEERP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001502404329 1404143802 /nfs/dbraw/zinc/14/38/02/1404143802.db2.gz FQXSRYHZLLIFJT-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001502545574 1404235934 /nfs/dbraw/zinc/23/59/34/1404235934.db2.gz CYAXYPOEGFNQCW-FQEVSTJZSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@@H]1C ZINC001502741295 1404319048 /nfs/dbraw/zinc/31/90/48/1404319048.db2.gz CCVSYOFGASZVEY-AZUAARDMSA-N 2 0 343.515 2.564 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001502791570 1404345190 /nfs/dbraw/zinc/34/51/90/1404345190.db2.gz HHRMSZBMOQXGSI-UHFFFAOYSA-N 2 0 327.900 2.584 10 30 EFEERP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001502829455 1404380222 /nfs/dbraw/zinc/38/02/22/1404380222.db2.gz VJGKNQBJDMEVTR-GOSISDBHSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC001502836512 1404393678 /nfs/dbraw/zinc/39/36/78/1404393678.db2.gz PYSFGMLPQZIHTI-NVXWUHKLSA-N 2 0 332.492 2.763 10 30 EFEERP C=C(C)CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503678299 1404497407 /nfs/dbraw/zinc/49/74/07/1404497407.db2.gz OCWQWICVDMVJMV-LJQANCHMSA-N 2 0 329.488 2.620 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001503692848 1404500181 /nfs/dbraw/zinc/50/01/81/1404500181.db2.gz XXFNKDUGYCJGAN-LJQANCHMSA-N 2 0 329.488 2.620 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001505497797 1404728471 /nfs/dbraw/zinc/72/84/71/1404728471.db2.gz QBZSBSMURXSEIJ-GTPINHCMSA-N 2 0 344.503 2.601 10 30 EFEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001506533176 1405918875 /nfs/dbraw/zinc/91/88/75/1405918875.db2.gz PAFMBHPCFFCNLU-MSOLQXFVSA-N 2 0 333.520 2.988 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001506588736 1406014261 /nfs/dbraw/zinc/01/42/61/1406014261.db2.gz ZCJXRAGOPSIZID-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001565922790 1415154319 /nfs/dbraw/zinc/15/43/19/1415154319.db2.gz STBTUIPEZKVNRZ-IRXDYDNUSA-N 2 0 339.499 2.555 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001565942304 1415459852 /nfs/dbraw/zinc/45/98/52/1415459852.db2.gz XLVOPOCSRKDXJQ-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001565984197 1415470204 /nfs/dbraw/zinc/47/02/04/1415470204.db2.gz JSSRKQDLXGCWLR-FCGDIQPGSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001566077995 1415507958 /nfs/dbraw/zinc/50/79/58/1415507958.db2.gz VNQYULAZFDIDLC-FQEVSTJZSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001566697703 1415737700 /nfs/dbraw/zinc/73/77/00/1415737700.db2.gz KJIGNROENZKFKL-MJGOQNOKSA-N 2 0 333.520 2.892 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001566741628 1415755117 /nfs/dbraw/zinc/75/51/17/1415755117.db2.gz GYBGGILRJBHRBY-GOSISDBHSA-N 2 0 343.515 2.761 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001566955308 1415868794 /nfs/dbraw/zinc/86/87/94/1415868794.db2.gz KSXIBPWTUGWXSO-RBUKOAKNSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001566972952 1415883376 /nfs/dbraw/zinc/88/33/76/1415883376.db2.gz CDHDGKYXRSANOY-CENDIDJXSA-N 2 0 345.531 2.796 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567124589 1415942091 /nfs/dbraw/zinc/94/20/91/1415942091.db2.gz JZPDDBZNLDWXNB-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178992 1415973737 /nfs/dbraw/zinc/97/37/37/1415973737.db2.gz ULDAIYIKDOETPS-UXHICEINSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2C[C@@H](C)CC)CC1 ZINC001567266840 1416046712 /nfs/dbraw/zinc/04/67/12/1416046712.db2.gz OASHUZFJCHXJSW-AZUAARDMSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001567409390 1416123556 /nfs/dbraw/zinc/12/35/56/1416123556.db2.gz GWPQKKCLRINRPI-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567416439 1416126938 /nfs/dbraw/zinc/12/69/38/1416126938.db2.gz ZPKOHCIKYGKMMC-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)CC2CCCCC2)CC1 ZINC001567433110 1416135487 /nfs/dbraw/zinc/13/54/87/1416135487.db2.gz STXZUTBFDZUVOV-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567685207 1416247337 /nfs/dbraw/zinc/24/73/37/1416247337.db2.gz BJUBWDYRKBIGGY-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567741286 1416267138 /nfs/dbraw/zinc/26/71/38/1416267138.db2.gz DXQQQTLKKUTNTG-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001567998112 1416354947 /nfs/dbraw/zinc/35/49/47/1416354947.db2.gz AYDZYRCLJLTEAF-QGZVFWFLSA-N 2 0 333.520 2.846 10 30 EFEERP CC#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001568040091 1416371576 /nfs/dbraw/zinc/37/15/76/1416371576.db2.gz JEPWDTGEANYMBN-FXAWDEMLSA-N 2 0 335.536 2.642 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001568043741 1416373869 /nfs/dbraw/zinc/37/38/69/1416373869.db2.gz OORSNKAFSDDRRN-XLIONFOSSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001568061919 1416386607 /nfs/dbraw/zinc/38/66/07/1416386607.db2.gz QZYDCEUIAKWDII-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001568096265 1416408298 /nfs/dbraw/zinc/40/82/98/1416408298.db2.gz RCRJVWYHXFQGDY-UHFFFAOYSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001568127065 1416420305 /nfs/dbraw/zinc/42/03/05/1416420305.db2.gz ZJORUIOGJQYEQO-RTBURBONSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001568130000 1416420874 /nfs/dbraw/zinc/42/08/74/1416420874.db2.gz PINYJVVTJUQYLG-MOPGFXCFSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001568155673 1416428001 /nfs/dbraw/zinc/42/80/01/1416428001.db2.gz XVIGQCWAUWULFS-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001568235376 1416450479 /nfs/dbraw/zinc/45/04/79/1416450479.db2.gz MTZILGPLVVUTLO-WMZOPIPTSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001568244678 1416453010 /nfs/dbraw/zinc/45/30/10/1416453010.db2.gz NGXAIRRPFZIEIZ-UHFFFAOYSA-N 2 0 329.488 2.957 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CCCCC1 ZINC001568349358 1416486610 /nfs/dbraw/zinc/48/66/10/1416486610.db2.gz UXTKGLMCTYFSJR-LJQANCHMSA-N 2 0 333.520 2.540 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001568358031 1416490530 /nfs/dbraw/zinc/49/05/30/1416490530.db2.gz AYQLESIDWFQKTE-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001568358029 1416490666 /nfs/dbraw/zinc/49/06/66/1416490666.db2.gz AYQLESIDWFQKTE-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001691751601 1416665229 /nfs/dbraw/zinc/66/52/29/1416665229.db2.gz NHBVKSLGZXPZJI-SFHVURJKSA-N 2 0 327.488 2.602 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001690126534 1417159350 /nfs/dbraw/zinc/15/93/50/1417159350.db2.gz QOMPUWOKWCTALF-BZSNNMDCSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001690136431 1417162952 /nfs/dbraw/zinc/16/29/52/1417162952.db2.gz MIXSYBQFHMTKJH-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001690139005 1417163827 /nfs/dbraw/zinc/16/38/27/1417163827.db2.gz XILZQIGRBOINDW-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690392443 1417208218 /nfs/dbraw/zinc/20/82/18/1417208218.db2.gz XTAKCAXYXZJLDF-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690409980 1417211450 /nfs/dbraw/zinc/21/14/50/1417211450.db2.gz XOSBFILGWGVRJK-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]CC(C)C)CC1 ZINC001692014298 1417253136 /nfs/dbraw/zinc/25/31/36/1417253136.db2.gz VCJHRAPOSMTGHS-AZUAARDMSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001692117734 1417254284 /nfs/dbraw/zinc/25/42/84/1417254284.db2.gz ASXGJMYOIXRFEM-MOPGFXCFSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCCC=C)C2)CC1 ZINC001692135119 1417256043 /nfs/dbraw/zinc/25/60/43/1417256043.db2.gz MGJLUIRNEAAJCH-FQEVSTJZSA-N 2 0 345.531 2.659 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001692329819 1417278392 /nfs/dbraw/zinc/27/83/92/1417278392.db2.gz NVSHXSBVFCPTQB-RBUKOAKNSA-N 2 0 333.520 2.633 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001698717783 1417319450 /nfs/dbraw/zinc/31/94/50/1417319450.db2.gz KCDLSPOGHHIHPM-RBUKOAKNSA-N 2 0 327.472 2.595 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001698717785 1417319604 /nfs/dbraw/zinc/31/96/04/1417319604.db2.gz KCDLSPOGHHIHPM-RTBURBONSA-N 2 0 327.472 2.595 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001699011497 1417367014 /nfs/dbraw/zinc/36/70/14/1417367014.db2.gz ALYPNYNCUFSSSG-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699033510 1417378069 /nfs/dbraw/zinc/37/80/69/1417378069.db2.gz ZYJOTNOMKARURL-RTBURBONSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001699678916 1417448409 /nfs/dbraw/zinc/44/84/09/1417448409.db2.gz QTDQMIWJNGQQEU-AYHJJNSGSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001699849067 1417477215 /nfs/dbraw/zinc/47/72/15/1417477215.db2.gz RJINITQCWJIJGY-NRFANRHFSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699866450 1417485289 /nfs/dbraw/zinc/48/52/89/1417485289.db2.gz ZZMPPRCFCLAUMY-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699868124 1417486404 /nfs/dbraw/zinc/48/64/04/1417486404.db2.gz IULDZEVZSKMTHU-NRFANRHFSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001699875896 1417492003 /nfs/dbraw/zinc/49/20/03/1417492003.db2.gz WZOGDWARUSIZLX-AZUAARDMSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001699930357 1417510872 /nfs/dbraw/zinc/51/08/72/1417510872.db2.gz KNGVTCPUHLYDFF-FQEVSTJZSA-N 2 0 343.515 2.914 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991151 1417539297 /nfs/dbraw/zinc/53/92/97/1417539297.db2.gz BDDGLRIFCAOEOA-LWYYNNOASA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991153 1417539522 /nfs/dbraw/zinc/53/95/22/1417539522.db2.gz BDDGLRIFCAOEOA-WTGUMLROSA-N 2 0 347.547 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC(CC)CC)C2)CC1 ZINC001700093488 1417564795 /nfs/dbraw/zinc/56/47/95/1417564795.db2.gz JXIBZNCPGAQKJC-IBGZPJMESA-N 2 0 347.547 2.596 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001700709777 1417625231 /nfs/dbraw/zinc/62/52/31/1417625231.db2.gz VTMKNFCVWODEPW-MSOLQXFVSA-N 2 0 349.906 2.918 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001700898753 1417684003 /nfs/dbraw/zinc/68/40/03/1417684003.db2.gz PHKGFXGALXYDPL-ZWKOTPCHSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001700942191 1417691319 /nfs/dbraw/zinc/69/13/19/1417691319.db2.gz LKOQTZALHUKVSV-OALUTQOASA-N 2 0 345.531 2.633 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713223710 1418395210 /nfs/dbraw/zinc/39/52/10/1418395210.db2.gz FWZFZEUGTQXNJD-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713277409 1418447631 /nfs/dbraw/zinc/44/76/31/1418447631.db2.gz IJWAAKLVFNEEPG-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001713360607 1418490695 /nfs/dbraw/zinc/49/06/95/1418490695.db2.gz MCKOTOWPXLKMIY-HKUYNNGSSA-N 2 0 329.488 2.694 10 30 EFEERP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001713435834 1418528916 /nfs/dbraw/zinc/52/89/16/1418528916.db2.gz YWCISFKRIZRAIM-MRXNPFEDSA-N 2 0 339.911 2.728 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001714320040 1418600216 /nfs/dbraw/zinc/60/02/16/1418600216.db2.gz CFFQHGBAKSQXLN-UHFFFAOYSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001714321746 1418601240 /nfs/dbraw/zinc/60/12/40/1418601240.db2.gz ATPQAHVXLRBPLM-MOPGFXCFSA-N 2 0 327.472 2.595 10 30 EFEERP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001715175665 1418656004 /nfs/dbraw/zinc/65/60/04/1418656004.db2.gz MIRDIFIUFOEPIS-HXUWFJFHSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001716232174 1418730818 /nfs/dbraw/zinc/73/08/18/1418730818.db2.gz SXWCJMBDPXWXBK-UHFFFAOYSA-N 2 0 332.835 2.677 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716668092 1418950272 /nfs/dbraw/zinc/95/02/72/1418950272.db2.gz NNSDWZCFYBBKEZ-LPHOPBHVSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716668093 1418950837 /nfs/dbraw/zinc/95/08/37/1418950837.db2.gz NNSDWZCFYBBKEZ-QFBILLFUSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001716704595 1418963156 /nfs/dbraw/zinc/96/31/56/1418963156.db2.gz XMFPMFBXTAUGEM-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001716734591 1418983560 /nfs/dbraw/zinc/98/35/60/1418983560.db2.gz CGTNRIUQYQSQFP-FPOVZHCZSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001716734590 1418983782 /nfs/dbraw/zinc/98/37/82/1418983782.db2.gz CGTNRIUQYQSQFP-CTNGQTDRSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001716745558 1418988703 /nfs/dbraw/zinc/98/87/03/1418988703.db2.gz RVTOSVUGTLELAT-KRWDZBQOSA-N 2 0 343.515 2.902 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001716784324 1419006770 /nfs/dbraw/zinc/00/67/70/1419006770.db2.gz QZOPMRJIVQIKRH-QFBILLFUSA-N 2 0 339.499 2.746 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716809609 1419022790 /nfs/dbraw/zinc/02/27/90/1419022790.db2.gz MXJWTGIIWUYWFZ-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001716810683 1419024111 /nfs/dbraw/zinc/02/41/11/1419024111.db2.gz ZQLHOPPTBAEBAP-UYAOXDASSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001716810682 1419024249 /nfs/dbraw/zinc/02/42/49/1419024249.db2.gz ZQLHOPPTBAEBAP-QUCCMNQESA-N 2 0 343.515 2.506 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001716825493 1419034263 /nfs/dbraw/zinc/03/42/63/1419034263.db2.gz ZMEZIRKEEKKDBW-OALUTQOASA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001716888996 1419076588 /nfs/dbraw/zinc/07/65/88/1419076588.db2.gz SINVVLCQQHGJOF-UHFFFAOYSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC/C=C\CC)C2)CC1 ZINC001716974961 1419119025 /nfs/dbraw/zinc/11/90/25/1419119025.db2.gz HKQUEFBJADEZKV-QRMWTIMZSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001716987448 1419126623 /nfs/dbraw/zinc/12/66/23/1419126623.db2.gz KBGSPLJNYOSJEO-ROUUACIJSA-N 2 0 335.536 2.759 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001717101280 1419208604 /nfs/dbraw/zinc/20/86/04/1419208604.db2.gz IZWXYNOHRDJRKC-IRXDYDNUSA-N 2 0 341.927 2.830 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115864 1419219836 /nfs/dbraw/zinc/21/98/36/1419219836.db2.gz PIVJJIZTQMWBRA-PXNSSMCTSA-N 2 0 341.499 2.709 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717270893 1419300560 /nfs/dbraw/zinc/30/05/60/1419300560.db2.gz PCRIMGHCDILTRL-SFHVURJKSA-N 2 0 341.499 2.926 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001717309180 1419320899 /nfs/dbraw/zinc/32/08/99/1419320899.db2.gz GZPFIDOZJFGHMK-MSOLQXFVSA-N 2 0 333.520 2.511 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001717357000 1419351474 /nfs/dbraw/zinc/35/14/74/1419351474.db2.gz UAEWKXCHTBOCHO-UHFFFAOYSA-N 2 0 335.536 2.548 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001717368774 1419362324 /nfs/dbraw/zinc/36/23/24/1419362324.db2.gz FMGDEEBHXWTCBV-ROUUACIJSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001717371489 1419363481 /nfs/dbraw/zinc/36/34/81/1419363481.db2.gz QDHNSYGBLSSWPG-WOJBJXKFSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717375595 1419367307 /nfs/dbraw/zinc/36/73/07/1419367307.db2.gz YXWUYZMGAYMYPQ-HXUWFJFHSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001717377465 1419368924 /nfs/dbraw/zinc/36/89/24/1419368924.db2.gz CDSUGAXJZPSLJI-WOJBJXKFSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001717377283 1419369482 /nfs/dbraw/zinc/36/94/82/1419369482.db2.gz AYTLWYGYBSVYFW-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001717446976 1419397632 /nfs/dbraw/zinc/39/76/32/1419397632.db2.gz KZVFEGKWSZCGJO-UHFFFAOYSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001717523762 1419426771 /nfs/dbraw/zinc/42/67/71/1419426771.db2.gz DFWCSGMOVFJQQA-ZWKOTPCHSA-N 2 0 333.520 2.988 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC=C(C)C)CCCCC2)CC1 ZINC001717528161 1419429089 /nfs/dbraw/zinc/42/90/89/1419429089.db2.gz OIUDAOAPSRJPHO-UHFFFAOYSA-N 2 0 345.531 2.707 10 30 EFEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717552299 1419441465 /nfs/dbraw/zinc/44/14/65/1419441465.db2.gz FKOAWWWCRJEODR-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001717629823 1419478351 /nfs/dbraw/zinc/47/83/51/1419478351.db2.gz XOQCUXFTANUTQK-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001717632232 1419480579 /nfs/dbraw/zinc/48/05/79/1419480579.db2.gz DOJJWNBHBYKEOX-BGYRXZFFSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717684399 1419504762 /nfs/dbraw/zinc/50/47/62/1419504762.db2.gz LXEBHTALTFUELA-QAPCUYQASA-N 2 0 327.488 2.650 10 30 EFEERP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717706519 1419518839 /nfs/dbraw/zinc/51/88/39/1419518839.db2.gz IUSRSZSTHKLSFE-UYAOXDASSA-N 2 0 343.515 2.911 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001717821888 1419557247 /nfs/dbraw/zinc/55/72/47/1419557247.db2.gz KTXQOUKNEYRNFV-YLJYHZDGSA-N 2 0 343.515 2.950 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001717847819 1419576575 /nfs/dbraw/zinc/57/65/75/1419576575.db2.gz LPQIPNJVRXFBKN-CEXWTWQISA-N 2 0 345.531 2.798 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878512 1419599045 /nfs/dbraw/zinc/59/90/45/1419599045.db2.gz XGYROYSYOPVSMO-QZTJIDSGSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001717882272 1419600490 /nfs/dbraw/zinc/60/04/90/1419600490.db2.gz BBSPBNVMCKUVHR-IEBWSBKVSA-N 2 0 333.520 2.559 10 30 EFEERP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001717948088 1419624271 /nfs/dbraw/zinc/62/42/71/1419624271.db2.gz FHOZWCQKJNWYEZ-GOSISDBHSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001717984818 1419642516 /nfs/dbraw/zinc/64/25/16/1419642516.db2.gz NZJPKHWHDPRGTO-PXNSSMCTSA-N 2 0 341.499 2.529 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001718004099 1419651853 /nfs/dbraw/zinc/65/18/53/1419651853.db2.gz CMGDCTALFZKJEY-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955864 1424384639 /nfs/dbraw/zinc/38/46/39/1424384639.db2.gz HISJDXNOXJEEHZ-WOJBJXKFSA-N 2 0 347.547 2.642 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958054 1424387218 /nfs/dbraw/zinc/38/72/18/1424387218.db2.gz UQYYGBRUFOMNSR-WOJBJXKFSA-N 2 0 345.531 2.562 10 30 EFEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001723125500 1424430214 /nfs/dbraw/zinc/43/02/14/1424430214.db2.gz FSLWSZHBTYIABH-UXHICEINSA-N 2 0 343.515 2.736 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001723204048 1424451670 /nfs/dbraw/zinc/45/16/70/1424451670.db2.gz NQRRKQCAXYXZJK-MRXNPFEDSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001723300734 1424461579 /nfs/dbraw/zinc/46/15/79/1424461579.db2.gz MDJQKIXATKROPS-IEBWSBKVSA-N 2 0 333.520 2.702 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC=C)[C@@H](CC)C2)CC1 ZINC001723386043 1424483026 /nfs/dbraw/zinc/48/30/26/1424483026.db2.gz PSEQZROAVNAVND-ICSRJNTNSA-N 2 0 345.531 2.515 10 30 EFEERP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001723608896 1424534134 /nfs/dbraw/zinc/53/41/34/1424534134.db2.gz SQRRVWUMZXSBRD-RTBURBONSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001723610578 1424536482 /nfs/dbraw/zinc/53/64/82/1424536482.db2.gz ZWWIRBYPYPBTRE-MOPGFXCFSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CCCCCC1 ZINC001723639609 1424543554 /nfs/dbraw/zinc/54/35/54/1424543554.db2.gz CEGCCKPMXNTYRP-UHFFFAOYSA-N 2 0 333.520 2.637 10 30 EFEERP C#CC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CCCCCC1 ZINC001723641178 1424544476 /nfs/dbraw/zinc/54/44/76/1424544476.db2.gz REDYGZWGIHFEKF-UHFFFAOYSA-N 2 0 345.531 2.637 10 30 EFEERP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C2)C1 ZINC001723721575 1424567594 /nfs/dbraw/zinc/56/75/94/1424567594.db2.gz NOMCXBODARTBFW-CTNGQTDRSA-N 2 0 341.499 2.790 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724046176 1424633996 /nfs/dbraw/zinc/63/39/96/1424633996.db2.gz CKKSPVZQTPHGEM-FQEVSTJZSA-N 2 0 345.531 2.752 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001724046999 1424634751 /nfs/dbraw/zinc/63/47/51/1424634751.db2.gz IWRZGQIBMDEUIK-ICSRJNTNSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCC)CC1 ZINC001724060130 1424641294 /nfs/dbraw/zinc/64/12/94/1424641294.db2.gz PHWFYYIJHIVASD-GOSISDBHSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001724061130 1424641730 /nfs/dbraw/zinc/64/17/30/1424641730.db2.gz LEJMRUBRFPVRKF-UHFFFAOYSA-N 2 0 335.536 2.691 10 30 EFEERP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCCCC)CC1 ZINC001724061138 1424641868 /nfs/dbraw/zinc/64/18/68/1424641868.db2.gz LRHARMSUFPWIKG-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001724064283 1424643269 /nfs/dbraw/zinc/64/32/69/1424643269.db2.gz BVHFKNPCYVDBQS-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001724085430 1424651139 /nfs/dbraw/zinc/65/11/39/1424651139.db2.gz QPPWHSOWQMPSAJ-QGZVFWFLSA-N 2 0 347.528 2.711 10 30 EFEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724223624 1424705250 /nfs/dbraw/zinc/70/52/50/1424705250.db2.gz ATCYDXMEIVQLKJ-IBGZPJMESA-N 2 0 326.444 2.661 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001724306312 1424725998 /nfs/dbraw/zinc/72/59/98/1424725998.db2.gz AWCJVXZWCVQOIY-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CCC(C)C)CC2)CC1 ZINC001724306898 1424726489 /nfs/dbraw/zinc/72/64/89/1424726489.db2.gz OIDQHSUFGHDOAT-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325623 1424736021 /nfs/dbraw/zinc/73/60/21/1424736021.db2.gz ZTXMSBNUPAAQKD-PZJWPPBQSA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724343645 1424742584 /nfs/dbraw/zinc/74/25/84/1424742584.db2.gz OCHMTSODNQXONU-OAQYLSRUSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724380205 1424751743 /nfs/dbraw/zinc/75/17/43/1424751743.db2.gz MMWQWARJCAVPHD-OAHLLOKOSA-N 2 0 343.462 2.510 10 30 EFEERP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724381162 1424753675 /nfs/dbraw/zinc/75/36/75/1424753675.db2.gz GXXNFRPMHKIKPG-MRXNPFEDSA-N 2 0 343.462 2.512 10 30 EFEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724555017 1424794391 /nfs/dbraw/zinc/79/43/91/1424794391.db2.gz PADFAXMPCYKYSR-FXAWDEMLSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564994 1424799382 /nfs/dbraw/zinc/79/93/82/1424799382.db2.gz WFCWMMCCDAXZRY-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724611795 1424831995 /nfs/dbraw/zinc/83/19/95/1424831995.db2.gz ZAIDDKJOYBMCQT-IYARVYRRSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001724613033 1424832692 /nfs/dbraw/zinc/83/26/92/1424832692.db2.gz WYCFTWSMMRTERG-MJGOQNOKSA-N 2 0 335.536 2.757 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724613405 1424834272 /nfs/dbraw/zinc/83/42/72/1424834272.db2.gz VKZPYHIHVODDPT-VJANTYMQSA-N 2 0 333.520 2.702 10 30 EFEERP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001724655823 1424891812 /nfs/dbraw/zinc/89/18/12/1424891812.db2.gz MSJOXJNJIPRZEP-RTBURBONSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724740270 1424967601 /nfs/dbraw/zinc/96/76/01/1424967601.db2.gz FBNFUSWKRYOGAL-FRQCXROJSA-N 2 0 329.488 2.870 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001724744206 1424972705 /nfs/dbraw/zinc/97/27/05/1424972705.db2.gz OKPIEZISTLCGIO-PXNSSMCTSA-N 2 0 341.499 2.851 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001724744205 1424973316 /nfs/dbraw/zinc/97/33/16/1424973316.db2.gz OKPIEZISTLCGIO-FXAWDEMLSA-N 2 0 341.499 2.851 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001724747341 1424976963 /nfs/dbraw/zinc/97/69/63/1424976963.db2.gz PAJMTWCWUJGAJT-INIZCTEOSA-N 2 0 327.472 2.625 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001724752203 1424981360 /nfs/dbraw/zinc/98/13/60/1424981360.db2.gz PXVOLRYDESFZIG-CADBVGFASA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724755428 1424986127 /nfs/dbraw/zinc/98/61/27/1424986127.db2.gz VDQLREJOPLGALJ-KZNAEPCWSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001724856042 1425073188 /nfs/dbraw/zinc/07/31/88/1425073188.db2.gz QIVDHVAAIZNTBT-IBGZPJMESA-N 2 0 341.515 2.945 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001724867950 1425084318 /nfs/dbraw/zinc/08/43/18/1425084318.db2.gz NWCHXERSQHFIQG-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724886174 1425100502 /nfs/dbraw/zinc/10/05/02/1425100502.db2.gz WSVFMAHKRDFUIB-IBGZPJMESA-N 2 0 345.531 2.778 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001724922727 1425133957 /nfs/dbraw/zinc/13/39/57/1425133957.db2.gz HTWQADNDELRUDI-LJQANCHMSA-N 2 0 329.488 2.925 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725011176 1425223362 /nfs/dbraw/zinc/22/33/62/1425223362.db2.gz BUJNVVZLMRNWLA-LJQANCHMSA-N 2 0 329.488 2.620 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001725013101 1425226928 /nfs/dbraw/zinc/22/69/28/1425226928.db2.gz MMZWUJGBZBTGTJ-IBGZPJMESA-N 2 0 341.499 2.762 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175708 1425356539 /nfs/dbraw/zinc/35/65/39/1425356539.db2.gz NISBWLXEFMRRQI-HOTGVXAUSA-N 2 0 341.459 2.672 10 30 EFEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001725213027 1425381917 /nfs/dbraw/zinc/38/19/17/1425381917.db2.gz IHMBCNVHUQOWKF-APWZRJJASA-N 2 0 341.515 2.848 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001725220441 1425388574 /nfs/dbraw/zinc/38/85/74/1425388574.db2.gz CKVCOOWFNAXRIK-UHFFFAOYSA-N 2 0 347.547 2.931 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001725243760 1425410013 /nfs/dbraw/zinc/41/00/13/1425410013.db2.gz ZONZPEJFWXDUQF-IBGZPJMESA-N 2 0 333.520 2.637 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725251205 1425415696 /nfs/dbraw/zinc/41/56/96/1425415696.db2.gz BGYQAYIMPFWGEK-LPHOPBHVSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290015 1425444298 /nfs/dbraw/zinc/44/42/98/1425444298.db2.gz NVJHZARBYNAXHP-DLBZAZTESA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001725343755 1425492119 /nfs/dbraw/zinc/49/21/19/1425492119.db2.gz XTGHGOIOVWVYTQ-FHWLQOOXSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001725347212 1425496411 /nfs/dbraw/zinc/49/64/11/1425496411.db2.gz PISRWPLLPMKMES-OYRHEFFESA-N 2 0 347.547 2.999 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725417458 1425561452 /nfs/dbraw/zinc/56/14/52/1425561452.db2.gz PELMCXUSLOZVNW-WMLDXEAASA-N 2 0 347.906 2.826 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725417452 1425562119 /nfs/dbraw/zinc/56/21/19/1425562119.db2.gz PELMCXUSLOZVNW-RHSMWYFYSA-N 2 0 347.906 2.826 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001725424297 1425569399 /nfs/dbraw/zinc/56/93/99/1425569399.db2.gz KKMHIRZPHPXILA-LJQANCHMSA-N 2 0 339.499 2.698 10 30 EFEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001725426434 1425572426 /nfs/dbraw/zinc/57/24/26/1425572426.db2.gz ZILFQISJRSBPNX-FQEVSTJZSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCC[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001725426727 1425572453 /nfs/dbraw/zinc/57/24/53/1425572453.db2.gz YRIQOQKOHYHNBD-HXUWFJFHSA-N 2 0 341.499 2.626 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001725445575 1425586902 /nfs/dbraw/zinc/58/69/02/1425586902.db2.gz UJSKUXAJTFHPGQ-VQIMIIECSA-N 2 0 341.515 2.896 10 30 EFEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725454795 1425591692 /nfs/dbraw/zinc/59/16/92/1425591692.db2.gz QZJVWAQIRPATNJ-MJGOQNOKSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001725626211 1425722331 /nfs/dbraw/zinc/72/23/31/1425722331.db2.gz KVXDDIBGBKTXBM-AEFFLSMTSA-N 2 0 333.520 2.632 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725739880 1425808565 /nfs/dbraw/zinc/80/85/65/1425808565.db2.gz NGNVTIWXURWAOW-ROUUACIJSA-N 2 0 333.520 2.537 10 30 EFEERP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725779546 1425844514 /nfs/dbraw/zinc/84/45/14/1425844514.db2.gz IGVSCGNAALIAAM-KVZIAJEVSA-N 2 0 333.520 2.939 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725780654 1425845336 /nfs/dbraw/zinc/84/53/36/1425845336.db2.gz UYETWFQXULOKSV-KVZIAJEVSA-N 2 0 333.520 2.939 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725780655 1425845343 /nfs/dbraw/zinc/84/53/43/1425845343.db2.gz UYETWFQXULOKSV-NKELODKYSA-N 2 0 333.520 2.939 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725795671 1425856907 /nfs/dbraw/zinc/85/69/07/1425856907.db2.gz OSKABNKCPQUNIY-RTBURBONSA-N 2 0 347.547 2.927 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001725817905 1425877108 /nfs/dbraw/zinc/87/71/08/1425877108.db2.gz YZHVJSNFZAIEJQ-MJGOQNOKSA-N 2 0 333.520 2.964 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001725832871 1425899942 /nfs/dbraw/zinc/89/99/42/1425899942.db2.gz HISDIASVKNXELU-AEFFLSMTSA-N 2 0 347.478 2.838 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c(F)c1 ZINC001725836670 1425903968 /nfs/dbraw/zinc/90/39/68/1425903968.db2.gz HYCRMESIYDLJRA-PKOBYXMFSA-N 2 0 347.478 2.838 10 30 EFEERP C[C@@H](CCC#N)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000895649358 724235466 /nfs/dbraw/zinc/23/54/66/724235466.db2.gz PKBGPJSGXIDIAX-SFHVURJKSA-N 2 0 329.488 2.933 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745806 728220058 /nfs/dbraw/zinc/22/00/58/728220058.db2.gz VHPQRTDAIIHCLF-QZTJIDSGSA-N 2 0 333.520 2.511 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000940918319 728329374 /nfs/dbraw/zinc/32/93/74/728329374.db2.gz OJKDRNDEOBOVOP-IBGZPJMESA-N 2 0 343.515 2.807 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972642 728344813 /nfs/dbraw/zinc/34/48/13/728344813.db2.gz OQAUBCKVWZHLPL-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079607 728401416 /nfs/dbraw/zinc/40/14/16/728401416.db2.gz PSQBOPDKTIIRDZ-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP N#Cc1ccc(C[NH+]2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)cc1 ZINC000169787266 728403258 /nfs/dbraw/zinc/40/32/58/728403258.db2.gz TTZXVBLZCXLUOP-LJQANCHMSA-N 2 0 325.456 2.635 10 30 EFEERP CC[NH+]=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)NCC(C)(C)[NH+](C)C ZINC000170650680 728461489 /nfs/dbraw/zinc/46/14/89/728461489.db2.gz AZGMSLONOUCYSM-ZWKOTPCHSA-N 2 0 346.519 2.660 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000939835300 729148772 /nfs/dbraw/zinc/14/87/72/729148772.db2.gz DNAIFCIVOQFWNQ-DOTOQJQBSA-N 2 0 333.476 2.748 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001569357793 1085138029 /nfs/dbraw/zinc/13/80/29/1085138029.db2.gz QHTQNIAZZAPTEA-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001569403531 1085183597 /nfs/dbraw/zinc/18/35/97/1085183597.db2.gz PAUYGYZIVDBAPB-SJLPKXTDSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001569403532 1085183723 /nfs/dbraw/zinc/18/37/23/1085183723.db2.gz PAUYGYZIVDBAPB-WMZOPIPTSA-N 2 0 333.520 2.987 10 30 EFEERP C=CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001569450034 1085231692 /nfs/dbraw/zinc/23/16/92/1085231692.db2.gz NRSWWEYVKBNVSH-LJQANCHMSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCCCC1 ZINC001569450089 1085232354 /nfs/dbraw/zinc/23/23/54/1085232354.db2.gz PRACSHUVDHSVSX-LJQANCHMSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001569466628 1085260523 /nfs/dbraw/zinc/26/05/23/1085260523.db2.gz DESMWCIOQNZUHX-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001569474908 1085276603 /nfs/dbraw/zinc/27/66/03/1085276603.db2.gz OWAGOQYRQMQSDL-SFHLNBCPSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001569522099 1085334375 /nfs/dbraw/zinc/33/43/75/1085334375.db2.gz JJTJFAZETNWOMK-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001569544027 1085360056 /nfs/dbraw/zinc/36/00/56/1085360056.db2.gz FCMOLNWDVSWKTH-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001569591426 1085413390 /nfs/dbraw/zinc/41/33/90/1085413390.db2.gz MNVKICZJXKSBCA-FQEVSTJZSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569591260 1085413998 /nfs/dbraw/zinc/41/39/98/1085413998.db2.gz GWEWWLLOCODSRZ-IBGZPJMESA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001569595904 1085420005 /nfs/dbraw/zinc/42/00/05/1085420005.db2.gz GJUJRBBNGXMACU-RBUKOAKNSA-N 2 0 347.547 2.547 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC001569598181 1085423779 /nfs/dbraw/zinc/42/37/79/1085423779.db2.gz YBQABORBMPZOLZ-OAQYLSRUSA-N 2 0 349.478 2.562 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC001569598180 1085423795 /nfs/dbraw/zinc/42/37/95/1085423795.db2.gz YBQABORBMPZOLZ-NRFANRHFSA-N 2 0 349.478 2.562 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001569613218 1085438773 /nfs/dbraw/zinc/43/87/73/1085438773.db2.gz BZPUSIDUBGQOFF-VQTJNVASSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001569648581 1085482340 /nfs/dbraw/zinc/48/23/40/1085482340.db2.gz WXJUMUDXASMEJZ-MOPGFXCFSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001569687393 1085519525 /nfs/dbraw/zinc/51/95/25/1085519525.db2.gz STYGQMJMEHBQME-FXAWDEMLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001569801033 1085616694 /nfs/dbraw/zinc/61/66/94/1085616694.db2.gz YPJMWXZJFMYQSZ-WOJBJXKFSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001569843635 1085666169 /nfs/dbraw/zinc/66/61/69/1085666169.db2.gz SIFOEKLCQULHBH-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569869315 1085698732 /nfs/dbraw/zinc/69/87/32/1085698732.db2.gz RPBZVNZSJQKQQA-WOJBJXKFSA-N 2 0 341.499 2.808 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001569883440 1085716235 /nfs/dbraw/zinc/71/62/35/1085716235.db2.gz BRLFONDCTKBWHX-WTGUMLROSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001569883438 1085717164 /nfs/dbraw/zinc/71/71/64/1085717164.db2.gz BRLFONDCTKBWHX-FGYAAKKASA-N 2 0 347.547 2.996 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001570048235 1085902633 /nfs/dbraw/zinc/90/26/33/1085902633.db2.gz ANDHJXCHBWUXED-GUDVDZBRSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001570079371 1085934598 /nfs/dbraw/zinc/93/45/98/1085934598.db2.gz YUUDERCQWIFKKL-IBGZPJMESA-N 2 0 341.499 2.579 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC)CC2)CC1 ZINC001570187097 1086033314 /nfs/dbraw/zinc/03/33/14/1086033314.db2.gz GZBVSMWYOOVAPN-HXUWFJFHSA-N 2 0 347.547 2.883 10 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C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001570501136 1086287477 /nfs/dbraw/zinc/28/74/77/1086287477.db2.gz CPVQFJPBKUUEEM-UXHICEINSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001570550908 1086353233 /nfs/dbraw/zinc/35/32/33/1086353233.db2.gz GZNZMJPBFXYUHU-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001570908021 1086607484 /nfs/dbraw/zinc/60/74/84/1086607484.db2.gz SYQSVJRQNRIKCQ-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001571022481 1086646192 /nfs/dbraw/zinc/64/61/92/1086646192.db2.gz MZLBASGUAYIIHC-FHWLQOOXSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001571176675 1086673856 /nfs/dbraw/zinc/67/38/56/1086673856.db2.gz BJYYUVZHKDQCSY-ZHALLVOQSA-N 2 0 335.536 2.946 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001571347344 1086745616 /nfs/dbraw/zinc/74/56/16/1086745616.db2.gz RGVCZGXRECYWGG-AZUAARDMSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001571487389 1086874497 /nfs/dbraw/zinc/87/44/97/1086874497.db2.gz RCAQNYVLAFVXKS-YLJYHZDGSA-N 2 0 343.515 2.950 10 30 EFEERP C#CCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001571649087 1087019274 /nfs/dbraw/zinc/01/92/74/1087019274.db2.gz RBKHZBIPMKGNTO-KRWDZBQOSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001571670212 1087035101 /nfs/dbraw/zinc/03/51/01/1087035101.db2.gz DHDBDSMLEWUUAC-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001571700566 1087072371 /nfs/dbraw/zinc/07/23/71/1087072371.db2.gz HFNXYHJCWJHPGW-LJQANCHMSA-N 2 0 333.520 2.821 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c(F)c1 ZINC001571702980 1087076325 /nfs/dbraw/zinc/07/63/25/1087076325.db2.gz PLFAWVIXJHRXGP-IEBWSBKVSA-N 2 0 345.462 2.734 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001585127761 1092378942 /nfs/dbraw/zinc/37/89/42/1092378942.db2.gz CDQFCCHZJMTLCJ-IPMKNSEASA-N 2 0 335.536 2.922 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001267023038 1092385906 /nfs/dbraw/zinc/38/59/06/1092385906.db2.gz QXQAMMFUDCRGEF-RBUKOAKNSA-N 2 0 329.488 2.836 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267045171 1092447441 /nfs/dbraw/zinc/44/74/41/1092447441.db2.gz NRXJUDXRAJDVPN-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001649459532 1092491418 /nfs/dbraw/zinc/49/14/18/1092491418.db2.gz OJMITNMTOSKHIZ-LJQANCHMSA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(C)C)CC1 ZINC001649463508 1092499977 /nfs/dbraw/zinc/49/99/77/1092499977.db2.gz NYJHFYMYJUULJJ-KDURUIRLSA-N 2 0 333.520 2.891 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2CCCCC2)CC1 ZINC001649469250 1092509614 /nfs/dbraw/zinc/50/96/14/1092509614.db2.gz FHRLYHILHKRAAL-GOSISDBHSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267104882 1092737091 /nfs/dbraw/zinc/73/70/91/1092737091.db2.gz VTIHDCOLJYCWEY-RBUKOAKNSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001267108405 1092758923 /nfs/dbraw/zinc/75/89/23/1092758923.db2.gz OQPSPGCBFZQCGZ-SFHVURJKSA-N 2 0 333.520 2.586 10 30 EFEERP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001267116627 1092799175 /nfs/dbraw/zinc/79/91/75/1092799175.db2.gz JRNQSZGZCRCFJS-QGZVFWFLSA-N 2 0 345.487 2.681 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001279585502 1092907544 /nfs/dbraw/zinc/90/75/44/1092907544.db2.gz CELODGVADQRTGC-RTBURBONSA-N 2 0 333.520 2.894 10 30 EFEERP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267151892 1092928811 /nfs/dbraw/zinc/92/88/11/1092928811.db2.gz FKTSFNLVJOWQCF-YJBOKZPZSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2cncn2C1 ZINC001267170093 1093045975 /nfs/dbraw/zinc/04/59/75/1093045975.db2.gz DKCVTTSZGZUGPE-ZWKOTPCHSA-N 2 0 344.503 2.773 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001267197061 1093162027 /nfs/dbraw/zinc/16/20/27/1093162027.db2.gz QGPOLEDROCLWSF-KRWDZBQOSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222496 1093255378 /nfs/dbraw/zinc/25/53/78/1093255378.db2.gz NLGVPENFQUUSMK-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001267346653 1093633678 /nfs/dbraw/zinc/63/36/78/1093633678.db2.gz VCPLDZUGJXVLFC-PMACEKPBSA-N 2 0 343.515 2.776 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001267378329 1094386306 /nfs/dbraw/zinc/38/63/06/1094386306.db2.gz ZXMPZVJRVPYGAQ-OAQYLSRUSA-N 2 0 349.478 2.832 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267604189 1094418823 /nfs/dbraw/zinc/41/88/23/1094418823.db2.gz OYBHXQMSBDTWFW-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267460126 1094576195 /nfs/dbraw/zinc/57/61/95/1094576195.db2.gz RYPGUEOWJITXJI-RTBURBONSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](CC)c2ccccc2)CC1 ZINC001267473878 1094764438 /nfs/dbraw/zinc/76/44/38/1094764438.db2.gz LCIHPRBQIPTNML-HXUWFJFHSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001268045855 1094828386 /nfs/dbraw/zinc/82/83/86/1094828386.db2.gz LAGCNRFATNCKJF-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481494204 1094928483 /nfs/dbraw/zinc/92/84/83/1094928483.db2.gz OAEQKAJZLPSWIO-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481494206 1094929500 /nfs/dbraw/zinc/92/95/00/1094929500.db2.gz OAEQKAJZLPSWIO-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496879 1094936811 /nfs/dbraw/zinc/93/68/11/1094936811.db2.gz URQUQHOZWFPOIB-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@H](C)[NH2+]CC=C(C)C)CC2)CC1 ZINC001267494078 1094969680 /nfs/dbraw/zinc/96/96/80/1094969680.db2.gz OWAGIMQLWQGFHE-SFHVURJKSA-N 2 0 345.531 2.515 10 30 EFEERP C#CCC[N@@H+](C)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001481514914 1095053851 /nfs/dbraw/zinc/05/38/51/1095053851.db2.gz UEDMANKTORZFIF-UHFFFAOYSA-N 2 0 347.528 2.617 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001481521765 1095091304 /nfs/dbraw/zinc/09/13/04/1095091304.db2.gz QLYDVWNOKQRTCQ-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001481521289 1095096286 /nfs/dbraw/zinc/09/62/86/1095096286.db2.gz XUBAEKMJNCWFLP-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@H](C)[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001481174938 1095119730 /nfs/dbraw/zinc/11/97/30/1095119730.db2.gz YENSMWZXMIVEIS-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001267653212 1095335718 /nfs/dbraw/zinc/33/57/18/1095335718.db2.gz NFLYYXWRCOIXLI-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267657928 1095352959 /nfs/dbraw/zinc/35/29/59/1095352959.db2.gz IEHRABALZZALQA-MJGOQNOKSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cnccc2OC)C1 ZINC001267657734 1095356113 /nfs/dbraw/zinc/35/61/13/1095356113.db2.gz DAQPPOCEJWDNKX-IRXDYDNUSA-N 2 0 345.487 2.768 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001268138144 1095477009 /nfs/dbraw/zinc/47/70/09/1095477009.db2.gz PSDDFJIDVKREQQ-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267557852 1095519985 /nfs/dbraw/zinc/51/99/85/1095519985.db2.gz NVGQKWGOBMBCKZ-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267562694 1095563979 /nfs/dbraw/zinc/56/39/79/1095563979.db2.gz MIWNTNDEFFOEED-QUCCMNQESA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001267572116 1095711684 /nfs/dbraw/zinc/71/16/84/1095711684.db2.gz WRCYPSOOEDXIQS-RTBURBONSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001267733111 1095749528 /nfs/dbraw/zinc/74/95/28/1095749528.db2.gz CESRUKLACUEGMY-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001267733132 1095749845 /nfs/dbraw/zinc/74/98/45/1095749845.db2.gz DFTDJHIRJZGRBK-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267588530 1096009848 /nfs/dbraw/zinc/00/98/48/1096009848.db2.gz CLJRBISACUQXRT-VQIMIIECSA-N 2 0 339.499 2.555 10 30 EFEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268198490 1096079162 /nfs/dbraw/zinc/07/91/62/1096079162.db2.gz RSTYARCWCXHHCH-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268378172 1096434016 /nfs/dbraw/zinc/43/40/16/1096434016.db2.gz RVWOHGRYLWCBFC-CQSZACIVSA-N 2 0 329.916 2.876 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCCCC)CCCC2)CC1 ZINC001481912522 1096914674 /nfs/dbraw/zinc/91/46/74/1096914674.db2.gz DBJOTJRQLJHERS-UHFFFAOYSA-N 2 0 333.520 2.540 10 30 EFEERP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938544 1096968802 /nfs/dbraw/zinc/96/88/02/1096968802.db2.gz BXWNQTFFPARSAD-YJBOKZPZSA-N 2 0 341.927 2.735 10 30 EFEERP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001481963262 1097004237 /nfs/dbraw/zinc/00/42/37/1097004237.db2.gz UXVKHQRVCUVHLJ-RXVVDRJESA-N 2 0 347.547 2.929 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481990837 1097055733 /nfs/dbraw/zinc/05/57/33/1097055733.db2.gz FLIOBMLYFHPCGD-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481990835 1097056328 /nfs/dbraw/zinc/05/63/28/1097056328.db2.gz FLIOBMLYFHPCGD-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001482032578 1097124818 /nfs/dbraw/zinc/12/48/18/1097124818.db2.gz ZVPHJEPUXPGMGW-IBGZPJMESA-N 2 0 329.488 2.699 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482103161 1097263881 /nfs/dbraw/zinc/26/38/81/1097263881.db2.gz YBNCZIIIYQZLKN-ZWKOTPCHSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCCCCC)CC1 ZINC001268988078 1097773849 /nfs/dbraw/zinc/77/38/49/1097773849.db2.gz LMHBNOANWQTSBF-PMACEKPBSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001269167808 1097914043 /nfs/dbraw/zinc/91/40/43/1097914043.db2.gz BHHVQONABOISNK-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222274 1098161556 /nfs/dbraw/zinc/16/15/56/1098161556.db2.gz JZBAGXZNQBSBDF-QZTJIDSGSA-N 2 0 333.520 2.988 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CCCC1 ZINC001482230174 1098233482 /nfs/dbraw/zinc/23/34/82/1098233482.db2.gz NWIQUBPYLLPVFA-UHFFFAOYSA-N 2 0 329.488 2.609 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001269578790 1098259196 /nfs/dbraw/zinc/25/91/96/1098259196.db2.gz CCFQJMYNUGOKEO-NXEWRWPSSA-N 2 0 345.531 2.632 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001269593086 1098272901 /nfs/dbraw/zinc/27/29/01/1098272901.db2.gz NRQYWOOYNUBIID-UXHICEINSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCCC1 ZINC001269611765 1098296223 /nfs/dbraw/zinc/29/62/23/1098296223.db2.gz QAYRVCTZUJTMIN-IBGZPJMESA-N 2 0 333.520 2.635 10 30 EFEERP CC#CC[NH2+]C[C@](C)(NC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001269626935 1098303227 /nfs/dbraw/zinc/30/32/27/1098303227.db2.gz ZKOPVCAOLYZHDR-FQEVSTJZSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269790628 1098446135 /nfs/dbraw/zinc/44/61/35/1098446135.db2.gz JAOWPDQTFLSGME-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001482244509 1098459439 /nfs/dbraw/zinc/45/94/39/1098459439.db2.gz XVVABWIVARZDJP-PKOBYXMFSA-N 2 0 345.531 2.607 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001269877239 1098495274 /nfs/dbraw/zinc/49/52/74/1098495274.db2.gz GEYBUWOCEBTUGJ-RTBURBONSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001269988981 1098572082 /nfs/dbraw/zinc/57/20/82/1098572082.db2.gz KNRGDSMHYPYSOC-IAGOWNOFSA-N 2 0 345.487 2.727 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCC)C[C@@H]2C)CC1 ZINC001269989844 1098574500 /nfs/dbraw/zinc/57/45/00/1098574500.db2.gz YEXYWXBEZSQKCB-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001267910956 1098591737 /nfs/dbraw/zinc/59/17/37/1098591737.db2.gz XWAQKIXRRXKAOJ-UHFFFAOYSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001270075570 1098664136 /nfs/dbraw/zinc/66/41/36/1098664136.db2.gz HWIWQABPPPWFEZ-PMACEKPBSA-N 2 0 341.499 2.985 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001270105012 1098700146 /nfs/dbraw/zinc/70/01/46/1098700146.db2.gz IGVYWFXTKLFTTK-LJQANCHMSA-N 2 0 343.515 2.951 10 30 EFEERP CC#CC[NH+]1CCC(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001270130971 1098728098 /nfs/dbraw/zinc/72/80/98/1098728098.db2.gz KCCTYSFXVAASRK-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001267934493 1098732729 /nfs/dbraw/zinc/73/27/29/1098732729.db2.gz YWDNDLRGVXFTQG-LPHOPBHVSA-N 2 0 329.488 2.841 10 30 EFEERP C#CCC[NH2+]Cc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001267936872 1098756473 /nfs/dbraw/zinc/75/64/73/1098756473.db2.gz NYNRFXVRCJQRRV-UHFFFAOYSA-N 2 0 346.434 2.686 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001267940111 1098758906 /nfs/dbraw/zinc/75/89/06/1098758906.db2.gz DESSGPAWNRCCDW-IRXDYDNUSA-N 2 0 329.488 2.841 10 30 EFEERP C#CCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267948902 1098807410 /nfs/dbraw/zinc/80/74/10/1098807410.db2.gz YBSNLVQPVPCORO-HXUWFJFHSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCCCCC)CC1 ZINC001270315281 1098949357 /nfs/dbraw/zinc/94/93/57/1098949357.db2.gz KOGIHMHTPSDEBW-UYAOXDASSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001270321685 1098954867 /nfs/dbraw/zinc/95/48/67/1098954867.db2.gz ZENFGSLDNQVKAO-ICSRJNTNSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001270321687 1098955836 /nfs/dbraw/zinc/95/58/36/1098955836.db2.gz ZENFGSLDNQVKAO-UYAOXDASSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001270338303 1098979126 /nfs/dbraw/zinc/97/91/26/1098979126.db2.gz APFPQZICDUFWFI-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001270345578 1098988967 /nfs/dbraw/zinc/98/89/67/1098988967.db2.gz HHYYGPZLZYPPDT-FQEVSTJZSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001270351761 1098994405 /nfs/dbraw/zinc/99/44/05/1098994405.db2.gz SKHAEXOQLCPMIC-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001270350805 1098994541 /nfs/dbraw/zinc/99/45/41/1098994541.db2.gz ANOBFLGBMAITJB-SFHVURJKSA-N 2 0 333.520 2.586 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001270358375 1099002164 /nfs/dbraw/zinc/00/21/64/1099002164.db2.gz HHYYGPZLZYPPDT-HXUWFJFHSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001267975544 1099046896 /nfs/dbraw/zinc/04/68/96/1099046896.db2.gz ZTZFVOBOUYRGLJ-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001270415923 1099075428 /nfs/dbraw/zinc/07/54/28/1099075428.db2.gz XNGQLUSCBNFPAH-LJQANCHMSA-N 2 0 347.547 2.927 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]C[C@H](C)CC)C2CCCC2)CC1 ZINC001270459024 1099111783 /nfs/dbraw/zinc/11/17/83/1099111783.db2.gz YJGFEUVJCAJPDL-YLJYHZDGSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001270513004 1099164583 /nfs/dbraw/zinc/16/45/83/1099164583.db2.gz MSTOMXKSNAYVBO-CTNGQTDRSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001481334668 1099346985 /nfs/dbraw/zinc/34/69/85/1099346985.db2.gz PBUIUGYLSSREGC-HYVNUMGLSA-N 2 0 341.927 2.686 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001481340700 1099374452 /nfs/dbraw/zinc/37/44/52/1099374452.db2.gz TZCDQEKFQJRKKU-HZPDHXFCSA-N 2 0 332.492 2.771 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCCCC=C)C2)CC1 ZINC001270660242 1099387324 /nfs/dbraw/zinc/38/73/24/1099387324.db2.gz ZERPBZRGGUMPQA-OAQYLSRUSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481349823 1099411715 /nfs/dbraw/zinc/41/17/15/1099411715.db2.gz BSRVWPLPCNJPCY-IAGOWNOFSA-N 2 0 341.927 2.973 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001270752093 1099528148 /nfs/dbraw/zinc/52/81/48/1099528148.db2.gz IGGJBKULHMZYDS-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001267840501 1099579412 /nfs/dbraw/zinc/57/94/12/1099579412.db2.gz VHPHVTOGENVXKC-UHFFFAOYSA-N 2 0 333.520 2.540 10 30 EFEERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001482330865 1099632377 /nfs/dbraw/zinc/63/23/77/1099632377.db2.gz NCUADQGQCHZGBU-UYAOXDASSA-N 2 0 343.515 2.595 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001624547883 1099704597 /nfs/dbraw/zinc/70/45/97/1099704597.db2.gz AVSJRGPZEXDEQS-KRWDZBQOSA-N 2 0 329.488 2.795 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)CC2 ZINC001270869791 1099918663 /nfs/dbraw/zinc/91/86/63/1099918663.db2.gz DQUVXLWLFJEPIG-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001270885433 1100090080 /nfs/dbraw/zinc/09/00/80/1100090080.db2.gz JBVZTMXCDCLSLI-GOSISDBHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001482426740 1100144275 /nfs/dbraw/zinc/14/42/75/1100144275.db2.gz YNUNPRYXLFIPCM-RDTXWAMCSA-N 2 0 326.444 2.659 10 30 EFEERP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001270974531 1100327871 /nfs/dbraw/zinc/32/78/71/1100327871.db2.gz QTWOTIPYUOTOMT-UYAOXDASSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)C(C)C ZINC001632735227 1100497607 /nfs/dbraw/zinc/49/76/07/1100497607.db2.gz XVFQBGHVAAAFDL-OALUTQOASA-N 2 0 333.520 2.818 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001632863280 1100505161 /nfs/dbraw/zinc/50/51/61/1100505161.db2.gz UIPCAIWFFLMOKI-UHFFFAOYSA-N 2 0 329.488 2.561 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482459773 1100525828 /nfs/dbraw/zinc/52/58/28/1100525828.db2.gz BHPIPDLUEHPFJR-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482470525 1100847451 /nfs/dbraw/zinc/84/74/51/1100847451.db2.gz GMGXLALSMVDCNC-CVEARBPZSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482470528 1100847750 /nfs/dbraw/zinc/84/77/50/1100847750.db2.gz GMGXLALSMVDCNC-HOTGVXAUSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001671188189 1100944539 /nfs/dbraw/zinc/94/45/39/1100944539.db2.gz IETLAGDCXAVLMO-QZTJIDSGSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001271217817 1101295003 /nfs/dbraw/zinc/29/50/03/1101295003.db2.gz VNJPRRTZBQNCKG-SFHVURJKSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001266601805 1101363427 /nfs/dbraw/zinc/36/34/27/1101363427.db2.gz NHNCGBAEDXTCNJ-CADBVGFASA-N 2 0 333.520 2.987 10 30 EFEERP C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001271438809 1101686258 /nfs/dbraw/zinc/68/62/58/1101686258.db2.gz PHDAIHXZEPRGPI-IBGZPJMESA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659403 1101698219 /nfs/dbraw/zinc/69/82/19/1101698219.db2.gz OPDSMFABZOPCOA-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001271440400 1101726079 /nfs/dbraw/zinc/72/60/79/1101726079.db2.gz ZSPVZBDKPHLBKQ-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001271440203 1101727227 /nfs/dbraw/zinc/72/72/27/1101727227.db2.gz YBJZRQRRXBUUCC-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001656309174 1102031662 /nfs/dbraw/zinc/03/16/62/1102031662.db2.gz LBYNOEYDYMXSKT-ZWKOTPCHSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001656447442 1102089578 /nfs/dbraw/zinc/08/95/78/1102089578.db2.gz HPSDZFRKQVAJGR-QZTJIDSGSA-N 2 0 335.536 2.594 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCn1ccnc1 ZINC001656621289 1102139316 /nfs/dbraw/zinc/13/93/16/1102139316.db2.gz JWOMKSYPUTXINV-QZTJIDSGSA-N 2 0 332.492 2.846 10 30 EFEERP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656673440 1102169028 /nfs/dbraw/zinc/16/90/28/1102169028.db2.gz JQTOHTWAVNSXGR-RTBURBONSA-N 2 0 347.478 2.628 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001271608470 1102172018 /nfs/dbraw/zinc/17/20/18/1102172018.db2.gz JWGFXRULPNASSY-KRWDZBQOSA-N 2 0 341.927 2.976 10 30 EFEERP C#Cc1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001656740629 1102187838 /nfs/dbraw/zinc/18/78/38/1102187838.db2.gz JRWNEIIQFIYFQE-UHFFFAOYSA-N 2 0 347.506 2.965 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001656813830 1102212506 /nfs/dbraw/zinc/21/25/06/1102212506.db2.gz NFZBOLKWADVWAM-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001266472615 1102214864 /nfs/dbraw/zinc/21/48/64/1102214864.db2.gz NSCABBYMHXBYGB-LJQANCHMSA-N 2 0 335.536 2.999 10 30 EFEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C[C@@H]2C1 ZINC001656839867 1102219629 /nfs/dbraw/zinc/21/96/29/1102219629.db2.gz MBVNVQISPPJVSF-AABGKKOBSA-N 2 0 341.499 2.646 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001656908010 1102256205 /nfs/dbraw/zinc/25/62/05/1102256205.db2.gz AEAMJALMDKGJME-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266805321 1102283457 /nfs/dbraw/zinc/28/34/57/1102283457.db2.gz ZMQSTLGGVGRLJY-AZUAARDMSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001482504267 1102429429 /nfs/dbraw/zinc/42/94/29/1102429429.db2.gz HDEBJWICJVPVSS-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP 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ZINC001661007221 1103065727 /nfs/dbraw/zinc/06/57/27/1103065727.db2.gz SLBLASYMROQLHF-GOSISDBHSA-N 2 0 329.488 2.561 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001661066289 1103105351 /nfs/dbraw/zinc/10/53/51/1103105351.db2.gz KGNUDHPOIUPFGJ-IRXDYDNUSA-N 2 0 339.499 2.603 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CCC=C)CC2)CC1 ZINC001661097190 1103127602 /nfs/dbraw/zinc/12/76/02/1103127602.db2.gz KFFYRDCVUUQENB-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001661482386 1103278481 /nfs/dbraw/zinc/27/84/81/1103278481.db2.gz KODRRINOIKMIDP-NCXUSEDFSA-N 2 0 333.520 2.987 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661554600 1103312741 /nfs/dbraw/zinc/31/27/41/1103312741.db2.gz DCJRLYBUXBPFDI-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001661555173 1103316743 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C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001279149214 1103897442 /nfs/dbraw/zinc/89/74/42/1103897442.db2.gz NTRNKJKMLCKJNO-FXAWDEMLSA-N 2 0 343.515 2.665 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1CC ZINC001483614983 1104078839 /nfs/dbraw/zinc/07/88/39/1104078839.db2.gz JTCCVXUJFLCNQQ-WBVHZDCISA-N 2 0 347.528 2.663 10 30 EFEERP C#CC[N@@H+](CC)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001663962289 1104250273 /nfs/dbraw/zinc/25/02/73/1104250273.db2.gz OMQHYJSRDUTCAH-UHFFFAOYSA-N 2 0 329.444 2.804 10 30 EFEERP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044570 1104278513 /nfs/dbraw/zinc/27/85/13/1104278513.db2.gz RROGHMFAAURDPR-RBUKOAKNSA-N 2 0 333.520 2.587 10 30 EFEERP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044564 1104279154 /nfs/dbraw/zinc/27/91/54/1104279154.db2.gz RROGHMFAAURDPR-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664679042 1104499461 /nfs/dbraw/zinc/49/94/61/1104499461.db2.gz SMRYLYQWRYGTDE-LPHOPBHVSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001665305306 1104664764 /nfs/dbraw/zinc/66/47/64/1104664764.db2.gz OWHQIOLPMWKCFM-AWEZNQCLSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001665362451 1104674995 /nfs/dbraw/zinc/67/49/95/1104674995.db2.gz AHZRHZZRPTYZOE-MRXNPFEDSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628277 1104687794 /nfs/dbraw/zinc/68/77/94/1104687794.db2.gz LODLQWHTAQKJFY-GOSISDBHSA-N 2 0 327.488 2.555 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001665641512 1104734916 /nfs/dbraw/zinc/73/49/16/1104734916.db2.gz BHGVEDJLVKGINL-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001665670582 1104746506 /nfs/dbraw/zinc/74/65/06/1104746506.db2.gz 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C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001666759665 1104994400 /nfs/dbraw/zinc/99/44/00/1104994400.db2.gz FHBSFCMIMSWMHP-QGZVFWFLSA-N 2 0 333.520 2.846 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001666767582 1104995197 /nfs/dbraw/zinc/99/51/97/1104995197.db2.gz KWBAAQGDSLOJJC-QZTJIDSGSA-N 2 0 333.520 2.988 10 30 EFEERP C#CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCCC1 ZINC001666800026 1104998927 /nfs/dbraw/zinc/99/89/27/1104998927.db2.gz CCVYPGVVOUCSGU-IBGZPJMESA-N 2 0 341.499 2.721 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001666825880 1105003808 /nfs/dbraw/zinc/00/38/08/1105003808.db2.gz WAOHBVWDOYRCOR-UHFFFAOYSA-N 2 0 331.504 2.505 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC001667151288 1105063076 /nfs/dbraw/zinc/06/30/76/1105063076.db2.gz KMLAEVMIAJCKTP-FQEVSTJZSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001667204869 1105079755 /nfs/dbraw/zinc/07/97/55/1105079755.db2.gz UGODIZYPKZNUBW-PXNSSMCTSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001667217994 1105084066 /nfs/dbraw/zinc/08/40/66/1105084066.db2.gz WDHDLQGXLMYUFV-NVXWUHKLSA-N 2 0 341.927 2.832 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001669930030 1105546984 /nfs/dbraw/zinc/54/69/84/1105546984.db2.gz HICYABLJAJVGDU-QZTJIDSGSA-N 2 0 341.499 2.529 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669974190 1105561639 /nfs/dbraw/zinc/56/16/39/1105561639.db2.gz RHBGKEVJRZWOAG-RBUKOAKNSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001669987207 1105565524 /nfs/dbraw/zinc/56/55/24/1105565524.db2.gz YDWXVQQWQAEFDJ-UXHICEINSA-N 2 0 345.531 2.562 10 30 EFEERP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001671481405 1105642983 /nfs/dbraw/zinc/64/29/83/1105642983.db2.gz 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C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc2ccccc2c1 ZINC001483992898 1112641228 /nfs/dbraw/zinc/64/12/28/1112641228.db2.gz QNBJHVFYFIZANO-UWJYYQICSA-N 2 0 349.478 2.562 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)c1ccc2ccccc2c1 ZINC001483992896 1112641372 /nfs/dbraw/zinc/64/13/72/1112641372.db2.gz QNBJHVFYFIZANO-LAUBAEHRSA-N 2 0 349.478 2.562 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCC1 ZINC001484000948 1112651865 /nfs/dbraw/zinc/65/18/65/1112651865.db2.gz LEXUDZLRIGNNFU-GBESFXJTSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001484014160 1112663804 /nfs/dbraw/zinc/66/38/04/1112663804.db2.gz JAGLFQLFWZXERI-IBGZPJMESA-N 2 0 329.488 2.812 10 30 EFEERP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001484022941 1112676479 /nfs/dbraw/zinc/67/64/79/1112676479.db2.gz RRRINYZHNXPKKU-TZIWHRDSSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484195306 1112909555 /nfs/dbraw/zinc/90/95/55/1112909555.db2.gz KFQHOEHQPBLSGR-JKSUJKDBSA-N 2 0 343.462 2.510 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484551907 1113003678 /nfs/dbraw/zinc/00/36/78/1113003678.db2.gz RMVRHLABTXUMTQ-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001484552045 1113004843 /nfs/dbraw/zinc/00/48/43/1113004843.db2.gz UVEACRHQGOGWPD-KRWDZBQOSA-N 2 0 329.488 2.766 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001484558487 1113012264 /nfs/dbraw/zinc/01/22/64/1113012264.db2.gz HHXFOPGULYGEGI-YLJYHZDGSA-N 2 0 341.499 2.850 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001484567824 1113022648 /nfs/dbraw/zinc/02/26/48/1113022648.db2.gz WZVUUTWWHMTDFY-JCNLHEQBSA-N 2 0 326.444 2.707 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001484562811 1113024238 /nfs/dbraw/zinc/02/42/38/1113024238.db2.gz GVKOFQNDDYKMEX-XLIONFOSSA-N 2 0 341.499 2.851 10 30 EFEERP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001484611994 1113053146 /nfs/dbraw/zinc/05/31/46/1113053146.db2.gz AWRAXBBUWQMDGX-IBGZPJMESA-N 2 0 329.488 2.577 10 30 EFEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001484875781 1117790817 /nfs/dbraw/zinc/79/08/17/1117790817.db2.gz RFNPEXLFNGTHJO-QGZVFWFLSA-N 2 0 327.472 2.536 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001484939885 1117856984 /nfs/dbraw/zinc/85/69/84/1117856984.db2.gz GFOWGQNMYXZHSH-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943298 1117869126 /nfs/dbraw/zinc/86/91/26/1117869126.db2.gz MBQJXRPXJROMPZ-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001484984253 1117909592 /nfs/dbraw/zinc/90/95/92/1117909592.db2.gz ZTVAHJPADKKNAD-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485006186 1117937713 /nfs/dbraw/zinc/93/77/13/1117937713.db2.gz MKCVFCYAIXZOEA-FQEVSTJZSA-N 2 0 341.499 2.764 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485029194 1117954184 /nfs/dbraw/zinc/95/41/84/1117954184.db2.gz KHWFGTITDHXNLD-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001485029195 1117954380 /nfs/dbraw/zinc/95/43/80/1117954380.db2.gz KHWFGTITDHXNLD-PKOBYXMFSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)C[C@H](C)CC)CC1 ZINC001485030953 1117956334 /nfs/dbraw/zinc/95/63/34/1117956334.db2.gz FBSLAHXQTHLEOH-QUCCMNQESA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001485031728 1117957432 /nfs/dbraw/zinc/95/74/32/1117957432.db2.gz TUQWWSSBSWPDGE-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001485058475 1117996734 /nfs/dbraw/zinc/99/67/34/1117996734.db2.gz OCKFHSRWGDDKLX-INIZCTEOSA-N 2 0 335.517 2.922 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073505 1118012815 /nfs/dbraw/zinc/01/28/15/1118012815.db2.gz SGJMHERLSBXVSZ-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001485085298 1118024921 /nfs/dbraw/zinc/02/49/21/1118024921.db2.gz ZQVZJVLJUXTQHX-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001485091828 1118025463 /nfs/dbraw/zinc/02/54/63/1118025463.db2.gz GDIZHWGLBXHHQN-ADKAHSJRSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001485239096 1118170968 /nfs/dbraw/zinc/17/09/68/1118170968.db2.gz ZFOBHUQFIUCTNV-GPANFISMSA-N 2 0 347.906 2.778 10 30 EFEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001485467052 1118376728 /nfs/dbraw/zinc/37/67/28/1118376728.db2.gz YXCFDEQRGPGYKO-IEBWSBKVSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001485617823 1118482265 /nfs/dbraw/zinc/48/22/65/1118482265.db2.gz AQTLVOHQCVWTKW-CADBVGFASA-N 2 0 333.520 2.511 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001485740151 1118552384 /nfs/dbraw/zinc/55/23/84/1118552384.db2.gz IBYVCKSCFABAAY-HOTGVXAUSA-N 2 0 329.916 2.876 10 30 EFEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001485758073 1118562800 /nfs/dbraw/zinc/56/28/00/1118562800.db2.gz WZMSXADKFONYRZ-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001485768412 1118581127 /nfs/dbraw/zinc/58/11/27/1118581127.db2.gz NQSWCCJQWMWSIW-OALUTQOASA-N 2 0 341.499 2.501 10 30 EFEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001485779322 1118587821 /nfs/dbraw/zinc/58/78/21/1118587821.db2.gz ADZKLVPYRXPIED-OALUTQOASA-N 2 0 329.488 2.742 10 30 EFEERP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800536 1118634125 /nfs/dbraw/zinc/63/41/25/1118634125.db2.gz BZVSKDHTPKZNES-RTBURBONSA-N 2 0 345.531 2.633 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092986 1118667233 /nfs/dbraw/zinc/66/72/33/1118667233.db2.gz IMYSFUOXXYTDJT-IBGZPJMESA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485816436 1119313115 /nfs/dbraw/zinc/31/31/15/1119313115.db2.gz QFINVSNHQSUJBT-SFHVURJKSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001485817830 1119784122 /nfs/dbraw/zinc/78/41/22/1119784122.db2.gz QCVNIBCUNGIRRP-WMZOPIPTSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246084113 240263815 /nfs/dbraw/zinc/26/38/15/240263815.db2.gz DZNAOTFNFZZXRY-ROUUACIJSA-N 2 0 344.503 2.937 10 30 EFEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261694972 240319501 /nfs/dbraw/zinc/31/95/01/240319501.db2.gz IVGVUEGXTILLCD-RDBSUJKOSA-N 2 0 334.430 2.614 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081096167 217361263 /nfs/dbraw/zinc/36/12/63/217361263.db2.gz CTQQEMCLLJYAMW-CRAIPNDOSA-N 2 0 328.460 2.549 10 30 EFEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cn2)CC1 ZINC000344104165 145369615 /nfs/dbraw/zinc/36/96/15/145369615.db2.gz IHKVONHZOBLDGK-KRWDZBQOSA-N 2 0 349.482 2.946 10 30 EFEERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cn2)CC1 ZINC000344124974 145374113 /nfs/dbraw/zinc/37/41/13/145374113.db2.gz OSLULMBYKHBXQZ-KRWDZBQOSA-N 2 0 349.482 2.946 10 30 EFEERP N#Cc1ccc(C2([NH2+]Cc3ccc4c(c3)C[NH2+]CC4)CCOCC2)cc1 ZINC000530234689 268212166 /nfs/dbraw/zinc/21/21/66/268212166.db2.gz SPQKTEZHGHUOJV-UHFFFAOYSA-N 2 0 347.462 2.999 10 30 EFEERP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000424173319 275437545 /nfs/dbraw/zinc/43/75/45/275437545.db2.gz MVWAOLVMTWJWME-KXBFYZLASA-N 2 0 349.906 2.773 10 30 EFEERP CN1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000581339358 324353990 /nfs/dbraw/zinc/35/39/90/324353990.db2.gz UIXCSSWLAMOGLT-PZJWPPBQSA-N 2 0 348.450 2.922 10 30 EFEERP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000057847222 472484952 /nfs/dbraw/zinc/48/49/52/472484952.db2.gz MFZMYCMADMZECB-INIZCTEOSA-N 2 0 342.487 2.939 10 30 EFEERP C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ccc(C[NH+](C)C)cn1 ZINC000072420098 472663191 /nfs/dbraw/zinc/66/31/91/472663191.db2.gz HHROEIXAWDOKGG-SFHVURJKSA-N 2 0 333.476 2.579 10 30 EFEERP C=CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000625701607 480016206 /nfs/dbraw/zinc/01/62/06/480016206.db2.gz AOQNBSVXIKPJKY-IBGZPJMESA-N 2 0 341.499 2.797 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095979 473145604 /nfs/dbraw/zinc/14/56/04/473145604.db2.gz OVSKANFWJQHHFB-WBVHZDCISA-N 2 0 331.460 2.608 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)(N2CCCCC2)CC1 ZINC000174581768 474067295 /nfs/dbraw/zinc/06/72/95/474067295.db2.gz UTRNMSXGYUJGLB-UHFFFAOYSA-N 2 0 326.488 2.598 10 30 EFEERP N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2ncc[nH]2)CC1 ZINC000266775683 474478578 /nfs/dbraw/zinc/47/85/78/474478578.db2.gz TWDAMBWXVPZYOA-UHFFFAOYSA-N 2 0 343.818 2.753 10 30 EFEERP C[N@@H+]1CC[C@]2(CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292207074 474904518 /nfs/dbraw/zinc/90/45/18/474904518.db2.gz SXAGANPOHFYBEE-KRWDZBQOSA-N 2 0 338.373 2.964 10 30 EFEERP COC1CCC([NH+](C)CC#CC[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000341879195 475376802 /nfs/dbraw/zinc/37/68/02/475376802.db2.gz AWYCJJSYTKBQAZ-UHFFFAOYSA-N 2 0 336.520 2.769 10 30 EFEERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358575573 475782044 /nfs/dbraw/zinc/78/20/44/475782044.db2.gz SYJAJYCDEWQYLX-CVEARBPZSA-N 2 0 332.467 2.622 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)C(C)C ZINC000353436401 475964548 /nfs/dbraw/zinc/96/45/48/475964548.db2.gz BHWHLGYHKYCATN-SFHVURJKSA-N 2 0 330.476 2.576 10 30 EFEERP C=CC[C@@H]1[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCCC1(C)C ZINC000444777379 476730009 /nfs/dbraw/zinc/73/00/09/476730009.db2.gz FOOGPRVGSLALPB-SFHVURJKSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCOc1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415049356 476908383 /nfs/dbraw/zinc/90/83/83/476908383.db2.gz GYIDFRQLXCVIJE-UHFFFAOYSA-N 2 0 329.488 2.557 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 ZINC000437102735 477671104 /nfs/dbraw/zinc/67/11/04/477671104.db2.gz HEKJXKCGGMMZCO-RXQRSOPUSA-N 2 0 342.487 2.963 10 30 EFEERP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594437058 478387506 /nfs/dbraw/zinc/38/75/06/478387506.db2.gz HWGCDTMGPJODPJ-DOTOQJQBSA-N 2 0 330.476 2.643 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000594440464 478388737 /nfs/dbraw/zinc/38/87/37/478388737.db2.gz CSTIRIBVLQNQLU-GOSISDBHSA-N 2 0 328.460 2.675 10 30 EFEERP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)CC1 ZINC000594439081 478388916 /nfs/dbraw/zinc/38/89/16/478388916.db2.gz NQNWVDFXDULSQE-CTWPCTMYSA-N 2 0 348.535 2.757 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000594440823 478389335 /nfs/dbraw/zinc/38/93/35/478389335.db2.gz CNNUDKNVGGYLJT-CYBMUJFWSA-N 2 0 328.338 2.514 10 30 EFEERP CC(C)(C#N)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000594499897 478413252 /nfs/dbraw/zinc/41/32/52/478413252.db2.gz DLUDPWYFDSJLPW-IBGZPJMESA-N 2 0 329.488 2.814 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527731864 478495969 /nfs/dbraw/zinc/49/59/69/478495969.db2.gz XTMWLYRGJDWKRK-LJQANCHMSA-N 2 0 348.535 2.733 10 30 EFEERP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1C#N ZINC000594975862 478615496 /nfs/dbraw/zinc/61/54/96/478615496.db2.gz WCTBZGJFJXXVFJ-NRFANRHFSA-N 2 0 335.451 2.723 10 30 EFEERP CC1(C#N)CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000594976311 478615646 /nfs/dbraw/zinc/61/56/46/478615646.db2.gz ZSNOORSPBFBWFD-GPJFCIFZSA-N 2 0 327.472 2.815 10 30 EFEERP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cn2)CC1 ZINC000514992491 479101468 /nfs/dbraw/zinc/10/14/68/479101468.db2.gz LEVGXBLFYLCOIG-UHFFFAOYSA-N 2 0 341.503 2.786 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599372389 479275061 /nfs/dbraw/zinc/27/50/61/479275061.db2.gz IZTCOSBIWMFIES-QRQLOZEOSA-N 2 0 327.472 2.541 10 30 EFEERP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405542 479286261 /nfs/dbraw/zinc/28/62/61/479286261.db2.gz YOAGXXIGODPVRC-IRXDYDNUSA-N 2 0 347.528 2.865 10 30 EFEERP CN(CC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1)C1CC[NH+](C)CC1 ZINC000597131315 479586768 /nfs/dbraw/zinc/58/67/68/479586768.db2.gz VLOZGVKGAQSTQX-UHFFFAOYSA-N 2 0 340.515 2.700 10 30 EFEERP CN(CCC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1)CC[NH+](C)C ZINC000597133628 479590155 /nfs/dbraw/zinc/59/01/55/479590155.db2.gz WWHMRODPPXFBJM-UHFFFAOYSA-N 2 0 328.504 2.557 10 30 EFEERP CN(CC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1)C1CC[NH+](C)CC1 ZINC000614176883 480217038 /nfs/dbraw/zinc/21/70/38/480217038.db2.gz AIFRUKCWZAOLPO-UHFFFAOYSA-N 2 0 342.531 2.946 10 30 EFEERP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000662089727 481542568 /nfs/dbraw/zinc/54/25/68/481542568.db2.gz DILLOMFFKOHSIX-CEXWTWQISA-N 2 0 327.472 2.589 10 30 EFEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000651699133 481910075 /nfs/dbraw/zinc/91/00/75/481910075.db2.gz HYHWJEFHWZYVLS-VQIMIIECSA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651702810 481911822 /nfs/dbraw/zinc/91/18/22/481911822.db2.gz DLNPWGKRPHUEQM-MOPGFXCFSA-N 2 0 343.519 2.713 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662662150 481922074 /nfs/dbraw/zinc/92/20/74/481922074.db2.gz AQJKQBWOKOFOEU-AZUAARDMSA-N 2 0 329.488 2.666 10 30 EFEERP C=CC[C@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662672826 481926058 /nfs/dbraw/zinc/92/60/58/481926058.db2.gz FEIUJAXBNJPPAY-OAQYLSRUSA-N 2 0 341.499 2.508 10 30 EFEERP C=CC[C@]1(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662680271 481930962 /nfs/dbraw/zinc/93/09/62/481930962.db2.gz UHCASWQNPTWUQY-OAQYLSRUSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000651752489 481933650 /nfs/dbraw/zinc/93/36/50/481933650.db2.gz IHQLQNZWTQYJKS-VQIMIIECSA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000662696411 481937866 /nfs/dbraw/zinc/93/78/66/481937866.db2.gz ZTLJPSSZRDVYME-FQEVSTJZSA-N 2 0 329.488 2.841 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC[NH2+]1 ZINC000662697875 481940223 /nfs/dbraw/zinc/94/02/23/481940223.db2.gz DPJYHEOTZGXMNP-QUCCMNQESA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[C@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000662719081 481947133 /nfs/dbraw/zinc/94/71/33/481947133.db2.gz WKCBNMSAJDWBSG-OXQOHEQNSA-N 2 0 329.488 2.930 10 30 EFEERP C=CC[C@@]1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662730612 481952435 /nfs/dbraw/zinc/95/24/35/481952435.db2.gz LADFKYIAUIVEKF-IBGZPJMESA-N 2 0 331.460 2.654 10 30 EFEERP C[NH+]=C(NCC[NH2+]C(C)(C)C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000160960438 526361420 /nfs/dbraw/zinc/36/14/20/526361420.db2.gz ANQTVKSQIOICTO-HNNXBMFYSA-N 2 0 332.492 2.842 10 30 EFEERP N#Cc1ccc(CN2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)cc1 ZINC000181516759 526609194 /nfs/dbraw/zinc/60/91/94/526609194.db2.gz OUENNYZEBLEBNC-UHFFFAOYSA-N 2 0 340.515 2.988 10 30 EFEERP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000192929067 526694428 /nfs/dbraw/zinc/69/44/28/526694428.db2.gz DSYGLSXCRHMKJY-IBGZPJMESA-N 2 0 345.450 2.818 10 30 EFEERP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262849211 535549559 /nfs/dbraw/zinc/54/95/59/535549559.db2.gz WLNISWOWLQHUTD-KBRIMQKVSA-N 2 0 336.430 2.599 10 30 EFEERP C=CCOCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000657658252 547244663 /nfs/dbraw/zinc/24/46/63/547244663.db2.gz QHUKLLFKFSKHSJ-UHFFFAOYSA-N 2 0 337.895 2.774 10 30 EFEERP C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000685457657 550154538 /nfs/dbraw/zinc/15/45/38/550154538.db2.gz IQOJEEJSIAKKTE-FQEVSTJZSA-N 2 0 343.515 2.852 10 30 EFEERP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691374694 1248707639 /nfs/dbraw/zinc/70/76/39/1248707639.db2.gz KJZAHHMSNZVVLS-XLIONFOSSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691407386 1248744638 /nfs/dbraw/zinc/74/46/38/1248744638.db2.gz IKOGSFKJBVGNER-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691429094 1248883116 /nfs/dbraw/zinc/88/31/16/1248883116.db2.gz UYZMNIGYQGHDSI-NEWSRXKRSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001691935177 1249062146 /nfs/dbraw/zinc/06/21/46/1249062146.db2.gz BQLCQNOVOICEMP-CABCVRRESA-N 2 0 349.441 2.519 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691798352 1248316643 /nfs/dbraw/zinc/31/66/43/1248316643.db2.gz DFVODYCSZOYHER-FQEVSTJZSA-N 2 0 341.499 2.698 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CCCCC)CC1 ZINC001691798749 1248347400 /nfs/dbraw/zinc/34/74/00/1248347400.db2.gz OHTMXMLCQFWUJJ-FQEVSTJZSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC/C=C\CCC)CC1 ZINC001691075532 1248362509 /nfs/dbraw/zinc/36/25/09/1248362509.db2.gz TYXPUYZHUDDRSO-WHXUGTBJSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691086446 1248383587 /nfs/dbraw/zinc/38/35/87/1248383587.db2.gz QSGAKRQGKWQHSH-MRXNPFEDSA-N 2 0 326.444 2.803 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691276869 1248589993 /nfs/dbraw/zinc/58/99/93/1248589993.db2.gz GSAFELYREOZZRU-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691632824 1251890514 /nfs/dbraw/zinc/89/05/14/1251890514.db2.gz QUJYWSZIVQGDHF-FQEVSTJZSA-N 2 0 341.499 2.746 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCCCC)C2)CC1 ZINC001691635874 1251959959 /nfs/dbraw/zinc/95/99/59/1251959959.db2.gz AFTPNHSHGNTNPE-FQEVSTJZSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484094352 1252234258 /nfs/dbraw/zinc/23/42/58/1252234258.db2.gz OKFSZNTYUGCLOY-QWFCFKBJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001484096894 1252242042 /nfs/dbraw/zinc/24/20/42/1252242042.db2.gz QHKJQDKLIRWWSJ-SFHVURJKSA-N 2 0 335.517 2.828 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC/C=C\CC)C2)CC1 ZINC001484126064 1252305635 /nfs/dbraw/zinc/30/56/35/1252305635.db2.gz SGXIBOBYKIROTE-NGXITPROSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001484368514 1252475109 /nfs/dbraw/zinc/47/51/09/1252475109.db2.gz PTWQVPZVODVNIZ-ZBFHGGJFSA-N 2 0 341.927 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCCCCC)C2)CC1 ZINC001484384121 1252487579 /nfs/dbraw/zinc/48/75/79/1252487579.db2.gz IPCWFGGDZKMNGH-ICSRJNTNSA-N 2 0 347.547 2.596 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001484397582 1252521838 /nfs/dbraw/zinc/52/18/38/1252521838.db2.gz KPLCVFYSRZZECI-GUDVDZBRSA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001484394387 1252532570 /nfs/dbraw/zinc/53/25/70/1252532570.db2.gz LCUBOAQWOQKXGD-VAMGGRTRSA-N 2 0 347.547 2.644 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C\CC)CC2)CC1 ZINC001484727853 1252818904 /nfs/dbraw/zinc/81/89/04/1252818904.db2.gz HDFJXSGNGDZRBV-KKHYBRAUSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001484721845 1252843035 /nfs/dbraw/zinc/84/30/35/1252843035.db2.gz ONQAMZQUHZADJG-JKSUJKDBSA-N 2 0 329.916 2.830 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001484772327 1252947051 /nfs/dbraw/zinc/94/70/51/1252947051.db2.gz QRXLPTFACKSUNR-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000921557877 1257472751 /nfs/dbraw/zinc/47/27/51/1257472751.db2.gz NLUJFRFAWXAVFB-UHFFFAOYSA-N 2 0 340.496 2.657 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCCC)CC2)CC1 ZINC001272785692 1258032791 /nfs/dbraw/zinc/03/27/91/1258032791.db2.gz HVUMIPWGXXPJIE-KESTWPANSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001670919494 1258632935 /nfs/dbraw/zinc/63/29/35/1258632935.db2.gz VEZUTEYNDCHZJL-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001670922565 1258673521 /nfs/dbraw/zinc/67/35/21/1258673521.db2.gz DGTNADZIEUSJSR-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001670960973 1259078241 /nfs/dbraw/zinc/07/82/41/1259078241.db2.gz RKMJTNKDASPUAE-UXHICEINSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001670976510 1259258660 /nfs/dbraw/zinc/25/86/60/1259258660.db2.gz BHWWGBKYKLTKNZ-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)C[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001272811045 1259423938 /nfs/dbraw/zinc/42/39/38/1259423938.db2.gz RQJVAPYIFFNINI-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001671044088 1259930496 /nfs/dbraw/zinc/93/04/96/1259930496.db2.gz BATAKSJXPVNYNR-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001671044085 1259931382 /nfs/dbraw/zinc/93/13/82/1259931382.db2.gz BATAKSJXPVNYNR-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001671045192 1259936624 /nfs/dbraw/zinc/93/66/24/1259936624.db2.gz RJYWNNUBRKDUPC-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001486162501 1262723089 /nfs/dbraw/zinc/72/30/89/1262723089.db2.gz VXJZBLRGARYXQC-RCCFBDPRSA-N 2 0 333.520 2.511 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]21 ZINC001486162365 1262723165 /nfs/dbraw/zinc/72/31/65/1262723165.db2.gz UMPTUSBBSXZTEM-IPMKNSEASA-N 2 0 347.547 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001486222671 1262827694 /nfs/dbraw/zinc/82/76/94/1262827694.db2.gz ZETJZGDYPAMQRI-YHTLKTDXSA-N 2 0 345.531 2.562 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001486236232 1262833343 /nfs/dbraw/zinc/83/33/43/1262833343.db2.gz ONKFKBYZGVKBSM-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC001486242476 1262844439 /nfs/dbraw/zinc/84/44/39/1262844439.db2.gz KSRFPYISNRQOKA-IBGZPJMESA-N 2 0 343.515 2.807 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC001486247519 1262851787 /nfs/dbraw/zinc/85/17/87/1262851787.db2.gz HFYRKBAWRQDVCI-SFHVURJKSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)Cc2ccccc2)CC1(C)C ZINC001486250578 1262856488 /nfs/dbraw/zinc/85/64/88/1262856488.db2.gz RYHOTHGYKAETJQ-GOSISDBHSA-N 2 0 329.488 2.521 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C(C)(C)C ZINC001486412815 1263038425 /nfs/dbraw/zinc/03/84/25/1263038425.db2.gz ZHMPENKQTDKNKI-GOSISDBHSA-N 2 0 331.504 2.711 10 30 EFEERP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001486440917 1263151511 /nfs/dbraw/zinc/15/15/11/1263151511.db2.gz ANTBQGHYBVESOU-QUCCMNQESA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)c(F)c1 ZINC001486524104 1263326381 /nfs/dbraw/zinc/32/63/81/1263326381.db2.gz PKUSEAOCSRCSQL-UHFFFAOYSA-N 2 0 345.462 2.736 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691670364 1266677597 /nfs/dbraw/zinc/67/75/97/1266677597.db2.gz MHAFVRASQRQDEF-IEBWSBKVSA-N 2 0 335.536 2.994 10 30 EFEERP C[C@H]1C[N@H+](Cc2ccccc2)CCC1=NNCC[NH+]1CCCCC1 ZINC000734365132 1266954713 /nfs/dbraw/zinc/95/47/13/1266954713.db2.gz CCYYPWCCABJDRL-SFHVURJKSA-N 2 0 328.504 2.960 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001411206861 1271947116 /nfs/dbraw/zinc/94/71/16/1271947116.db2.gz FVGSYWDKYALABJ-HNNXBMFYSA-N 2 0 341.927 2.735 10 30 EFEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001691671701 1272016082 /nfs/dbraw/zinc/01/60/82/1272016082.db2.gz LRDZCHUSFLMURO-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001411214773 1272028905 /nfs/dbraw/zinc/02/89/05/1272028905.db2.gz VJOPLMUTVHUHPK-CABCVRRESA-N 2 0 329.916 2.732 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552958 1281478096 /nfs/dbraw/zinc/47/80/96/1281478096.db2.gz IKJBFBAQOXHCPW-ROUUACIJSA-N 2 0 329.488 2.616 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903459293 1312713851 /nfs/dbraw/zinc/71/38/51/1312713851.db2.gz GCMDYIFBAJBCCN-AZUAARDMSA-N 2 0 327.472 2.893 10 30 EFEERP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000903459485 1312713941 /nfs/dbraw/zinc/71/39/41/1312713941.db2.gz UHNFPCGTCPTCFG-ROUUACIJSA-N 2 0 333.863 2.930 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000876719069 1290988930 /nfs/dbraw/zinc/98/89/30/1290988930.db2.gz CHHRNDVJHBGWBS-QGZVFWFLSA-N 2 0 335.879 2.546 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876738555 1290997320 /nfs/dbraw/zinc/99/73/20/1290997320.db2.gz GSAABRDMORVAKF-UKRRQHHQSA-N 2 0 341.908 2.546 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000876752354 1291005243 /nfs/dbraw/zinc/00/52/43/1291005243.db2.gz MQOMVDYTSKWQQA-CVEARBPZSA-N 2 0 327.900 2.571 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000876768536 1291012664 /nfs/dbraw/zinc/01/26/64/1291012664.db2.gz XBGSGMOZKQHTHV-ZQIUZPCESA-N 2 0 349.906 2.729 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000876881891 1291056288 /nfs/dbraw/zinc/05/62/88/1291056288.db2.gz RYEDWRGOVKONCV-ZIAGYGMSSA-N 2 0 330.259 2.529 10 30 EFEERP C=CCN1CCC([NH2+]Cc2ccnc3c(C(=O)OC)cccc23)CC1 ZINC000877009071 1291104931 /nfs/dbraw/zinc/10/49/31/1291104931.db2.gz GNTMPPDBJHXNTH-UHFFFAOYSA-N 2 0 339.439 2.761 10 30 EFEERP C#CCCOc1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665238 1291319210 /nfs/dbraw/zinc/31/92/10/1291319210.db2.gz NJXPLMHUZZCJLC-UHFFFAOYSA-N 2 0 344.499 2.879 10 30 EFEERP C#CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001273607068 1292290505 /nfs/dbraw/zinc/29/05/05/1292290505.db2.gz IAIVWJWKUJIWKT-VQTJNVASSA-N 2 0 347.547 2.835 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606538 1292295267 /nfs/dbraw/zinc/29/52/67/1292295267.db2.gz ADXFJFUQSRRONZ-PMACEKPBSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883186208 1293498884 /nfs/dbraw/zinc/49/88/84/1293498884.db2.gz NOYAUIOJZHOMGW-SLYNCCJLSA-N 2 0 343.515 2.550 10 30 EFEERP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277851809 1313116024 /nfs/dbraw/zinc/11/60/24/1313116024.db2.gz ORDDWRRPPQXGDI-RBUKOAKNSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001273842038 1296276242 /nfs/dbraw/zinc/27/62/42/1296276242.db2.gz XNUKOSHJCCOSHU-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000778158877 1297481019 /nfs/dbraw/zinc/48/10/19/1297481019.db2.gz QJMZUJGNXJQNIO-UHFFFAOYSA-N 2 0 336.863 2.554 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001488670122 1297624467 /nfs/dbraw/zinc/62/44/67/1297624467.db2.gz JPMSXXNJQNYPEG-LJQANCHMSA-N 2 0 329.488 2.861 10 30 EFEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349298 1298205920 /nfs/dbraw/zinc/20/59/20/1298205920.db2.gz FKXXICQHRQFNPT-RTBURBONSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCOc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980690 1313531476 /nfs/dbraw/zinc/53/14/76/1313531476.db2.gz XUGUZQQWYIZYNX-BGYRXZFFSA-N 2 0 341.499 2.652 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC1CCCCCC1 ZINC001490331870 1298777583 /nfs/dbraw/zinc/77/75/83/1298777583.db2.gz ZLFFFKMUKRLPGM-FQEVSTJZSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001490758717 1299198311 /nfs/dbraw/zinc/19/83/11/1299198311.db2.gz MAWLDEWLFNUGMV-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490776283 1299238544 /nfs/dbraw/zinc/23/85/44/1299238544.db2.gz HJDVASOCXWYHOF-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777288 1299241750 /nfs/dbraw/zinc/24/17/50/1299241750.db2.gz OUJUSSXGSWHNSG-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001490793701 1299261925 /nfs/dbraw/zinc/26/19/25/1299261925.db2.gz JXCIJAXLGGYPLK-OTWHNJEPSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCCCCC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001278088109 1313630607 /nfs/dbraw/zinc/63/06/07/1313630607.db2.gz NWAOZKYRGQLIHI-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200573 1313781533 /nfs/dbraw/zinc/78/15/33/1313781533.db2.gz NJHZXXBCEVGZNB-HDICACEKSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001278240448 1313830622 /nfs/dbraw/zinc/83/06/22/1313830622.db2.gz BUTZOYNHEVYOOH-WOJBJXKFSA-N 2 0 345.531 2.681 10 30 EFEERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)O1 ZINC000865472375 1303272848 /nfs/dbraw/zinc/27/28/48/1303272848.db2.gz ZSOLDCRBUCVAFX-IAGOWNOFSA-N 2 0 344.503 2.603 10 30 EFEERP C[NH+](C)C[C@@H]1CN(c2cccc(C(F)F)c2C#N)C[C@H]1C[NH+](C)C ZINC000866011945 1303489168 /nfs/dbraw/zinc/48/91/68/1303489168.db2.gz NCCBQOYDQVEUEZ-ZIAGYGMSSA-N 2 0 336.430 2.671 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000866445322 1303644780 /nfs/dbraw/zinc/64/47/80/1303644780.db2.gz JCDODRCAWUPRPN-QFBILLFUSA-N 2 0 326.488 2.847 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001490804044 1303948502 /nfs/dbraw/zinc/94/85/02/1303948502.db2.gz KZAMMINYNAVALD-QRVBRYPASA-N 2 0 333.520 2.748 10 30 EFEERP C=C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870021259 1305088667 /nfs/dbraw/zinc/08/86/67/1305088667.db2.gz CZTVCDGEGXQOKZ-DFQSSKMNSA-N 2 0 343.515 2.544 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000900434967 1308160230 /nfs/dbraw/zinc/16/02/30/1308160230.db2.gz CITFYOXVXHPHSC-UHFFFAOYSA-N 2 0 335.517 2.584 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000900535599 1308274599 /nfs/dbraw/zinc/27/45/99/1308274599.db2.gz RAAJFMWNRNZRJD-LJQANCHMSA-N 2 0 329.488 2.838 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900918248 1308932487 /nfs/dbraw/zinc/93/24/87/1308932487.db2.gz ORJCAUPBBBTVRN-LJQANCHMSA-N 2 0 329.488 2.617 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001278382998 1314384083 /nfs/dbraw/zinc/38/40/83/1314384083.db2.gz BAGIEZYREOUMLT-ZBFHGGJFSA-N 2 0 326.444 2.802 10 30 EFEERP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001284149197 1320237649 /nfs/dbraw/zinc/23/76/49/1320237649.db2.gz SWVSNCGTYKLRNG-YZGWKJHDSA-N 2 0 343.515 2.610 10 30 EFEERP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283644 1311922982 /nfs/dbraw/zinc/92/29/82/1311922982.db2.gz GQWHFIUIIOBQCM-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283653 1311923364 /nfs/dbraw/zinc/92/33/64/1311923364.db2.gz GQWHFIUIIOBQCM-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@]1(C)CCCCO1 ZINC000902745052 1312070927 /nfs/dbraw/zinc/07/09/27/1312070927.db2.gz KHKLPKINZAXTMW-WOJBJXKFSA-N 2 0 337.552 2.898 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001277389067 1312099092 /nfs/dbraw/zinc/09/90/92/1312099092.db2.gz ZIZNNJCBBUVSLC-UHFFFAOYSA-N 2 0 331.504 2.504 10 30 EFEERP C#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001277393721 1312106034 /nfs/dbraw/zinc/10/60/34/1312106034.db2.gz PGIMAKVVFQZMIJ-FQEVSTJZSA-N 2 0 345.531 2.586 10 30 EFEERP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1cc(C#N)ccn1 ZINC000902794715 1312113463 /nfs/dbraw/zinc/11/34/63/1312113463.db2.gz YKXDKMKEQGMPIC-INIZCTEOSA-N 2 0 338.455 2.787 10 30 EFEERP C=CCC[NH+](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001277428664 1312154865 /nfs/dbraw/zinc/15/48/65/1312154865.db2.gz BTHYNQULVKRLPR-UHFFFAOYSA-N 2 0 343.515 2.660 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001277441087 1312174992 /nfs/dbraw/zinc/17/49/92/1312174992.db2.gz KAHWBQYRLUOZJJ-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC/C=C/CC)CC2)CC1 ZINC001277447613 1312197473 /nfs/dbraw/zinc/19/74/73/1312197473.db2.gz NHYPEDHZLKPJKW-VOTSOKGWSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001277473207 1312398771 /nfs/dbraw/zinc/39/87/71/1312398771.db2.gz BDUZLTOIWWAGJM-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001277473317 1312399502 /nfs/dbraw/zinc/39/95/02/1312399502.db2.gz CEBCAOXPIFNEBD-FQEVSTJZSA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001277549368 1312548174 /nfs/dbraw/zinc/54/81/74/1312548174.db2.gz YXVUZSOCDBKGDP-XUVXKRRUSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001278473430 1314712404 /nfs/dbraw/zinc/71/24/04/1314712404.db2.gz INXLOSOVLQJLCC-UYAOXDASSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001276762713 1315117753 /nfs/dbraw/zinc/11/77/53/1315117753.db2.gz SAJWTLKQTDOGOR-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001276762710 1315117941 /nfs/dbraw/zinc/11/79/41/1315117941.db2.gz SAJWTLKQTDOGOR-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001278603321 1315263205 /nfs/dbraw/zinc/26/32/05/1315263205.db2.gz YRUPNGAJHMUYMF-HKUYNNGSSA-N 2 0 329.488 2.812 10 30 EFEERP C=CCC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001251417591 1315347143 /nfs/dbraw/zinc/34/71/43/1315347143.db2.gz JUTCKZKHNAFQFE-KRWDZBQOSA-N 2 0 338.540 2.646 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)CC1(C)C ZINC001278668657 1315456375 /nfs/dbraw/zinc/45/63/75/1315456375.db2.gz ZPMARUDLBOBEEP-WMZOPIPTSA-N 2 0 344.503 2.547 10 30 EFEERP C=CCCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278741634 1315640453 /nfs/dbraw/zinc/64/04/53/1315640453.db2.gz QCAYNZWNIXUIFB-OAHLLOKOSA-N 2 0 343.462 2.510 10 30 EFEERP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278747762 1315650677 /nfs/dbraw/zinc/65/06/77/1315650677.db2.gz SZFJYHFIAMRVKW-HNNXBMFYSA-N 2 0 343.462 2.510 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318483988 1328615052 /nfs/dbraw/zinc/61/50/52/1328615052.db2.gz IUAPISLWBOHIBR-GOSISDBHSA-N 2 0 335.536 2.975 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001278982332 1316019439 /nfs/dbraw/zinc/01/94/39/1316019439.db2.gz BMLLLYCANNCYHM-QGZVFWFLSA-N 2 0 335.536 2.642 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001261703416 1316426334 /nfs/dbraw/zinc/42/63/34/1316426334.db2.gz HVAKITPLLNKFHK-MOPGFXCFSA-N 2 0 333.520 2.750 10 30 EFEERP CCC[N@H+](C)CC(=O)NC[C@@H](CC)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001318591944 1328646086 /nfs/dbraw/zinc/64/60/86/1328646086.db2.gz AMQMYIYOAJGBMH-GOSISDBHSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001263884397 1316572300 /nfs/dbraw/zinc/57/23/00/1316572300.db2.gz NZOVGHOGNROFQA-RBUKOAKNSA-N 2 0 338.455 2.503 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CCC ZINC001263957300 1316575437 /nfs/dbraw/zinc/57/54/37/1316575437.db2.gz BRRWUWRXKSTPHB-ZBFHGGJFSA-N 2 0 329.916 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCC=C)CC1 ZINC001264010154 1316579810 /nfs/dbraw/zinc/57/98/10/1316579810.db2.gz OCVVVOWCFIMZJN-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001264095947 1316588565 /nfs/dbraw/zinc/58/85/65/1316588565.db2.gz BVJZVDDVALVIGF-UXHICEINSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001264100926 1316589372 /nfs/dbraw/zinc/58/93/72/1316589372.db2.gz MDZGMUDXCWSQPR-ZCNNSNEGSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001264187148 1316598124 /nfs/dbraw/zinc/59/81/24/1316598124.db2.gz HCBWENXBWYPYKJ-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001264485841 1316619433 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HZJIPHIKMZDLJS-MJGOQNOKSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265390501 1316795075 /nfs/dbraw/zinc/79/50/75/1316795075.db2.gz GRZLTXPWSFREMJ-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265399324 1316799539 /nfs/dbraw/zinc/79/95/39/1316799539.db2.gz UHUWFTAZDXDEGC-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265540415 1316823107 /nfs/dbraw/zinc/82/31/07/1316823107.db2.gz PYCZFBXBHSRWJO-OKZBNKHCSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001265544622 1316823583 /nfs/dbraw/zinc/82/35/83/1316823583.db2.gz NHNCGBAEDXTCNJ-HCXYKTFWSA-N 2 0 333.520 2.987 10 30 EFEERP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001265697471 1316858555 /nfs/dbraw/zinc/85/85/55/1316858555.db2.gz SPSQFRRWODWQGJ-OALUTQOASA-N 2 0 333.520 2.587 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265702856 1316861226 /nfs/dbraw/zinc/86/12/26/1316861226.db2.gz ISYYZBRZFHKMFF-QZTJIDSGSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001265737540 1316869212 /nfs/dbraw/zinc/86/92/12/1316869212.db2.gz NBFQQJPOOVFZGZ-WWDZGPRUSA-N 2 0 333.520 2.987 10 30 EFEERP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001266000370 1316945485 /nfs/dbraw/zinc/94/54/85/1316945485.db2.gz AYZBWNQIXGOLNS-HNAYVOBHSA-N 2 0 338.455 2.639 10 30 EFEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001318687430 1328669801 /nfs/dbraw/zinc/66/98/01/1328669801.db2.gz WWFOCBZJSZWANO-UWJYYQICSA-N 2 0 345.531 2.539 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001266086603 1317013523 /nfs/dbraw/zinc/01/35/23/1317013523.db2.gz UMQPQRZRYJDSAG-SFHVURJKSA-N 2 0 343.515 2.885 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001266103873 1317042439 /nfs/dbraw/zinc/04/24/39/1317042439.db2.gz ZQHKPLWSGSAKKY-MRXNPFEDSA-N 2 0 335.517 2.922 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)CCC=C)C2)CC1 ZINC001266119268 1317066690 /nfs/dbraw/zinc/06/66/90/1317066690.db2.gz AYFVVCZVODWQMD-AZUAARDMSA-N 2 0 345.531 2.609 10 30 EFEERP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001318715742 1328675532 /nfs/dbraw/zinc/67/55/32/1328675532.db2.gz WTIJYJFEGBXINC-RTBURBONSA-N 2 0 339.499 2.650 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266222807 1317164177 /nfs/dbraw/zinc/16/41/77/1317164177.db2.gz GOVOBUPUHISXHT-KRWDZBQOSA-N 2 0 338.455 2.640 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001279182830 1317205352 /nfs/dbraw/zinc/20/53/52/1317205352.db2.gz YPXXPIKHBDBWKH-GJZGRUSLSA-N 2 0 349.441 2.662 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001279182829 1317205693 /nfs/dbraw/zinc/20/56/93/1317205693.db2.gz YPXXPIKHBDBWKH-CABCVRRESA-N 2 0 349.441 2.662 10 30 EFEERP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001279237057 1317216369 /nfs/dbraw/zinc/21/63/69/1317216369.db2.gz OWALYYKJNYWODO-OKYOBFRVSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001279368409 1317247462 /nfs/dbraw/zinc/24/74/62/1317247462.db2.gz RPZYMJPOZWBDCS-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001279566141 1317302502 /nfs/dbraw/zinc/30/25/02/1317302502.db2.gz OMWUIUQKAIMYDU-KZNAEPCWSA-N 2 0 339.499 2.698 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C[NH2+]CCCC)CCCC[C@@H]2C)CC1 ZINC001318760731 1328691600 /nfs/dbraw/zinc/69/16/00/1328691600.db2.gz TVNBSKNLNILDLZ-RXVVDRJESA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)c(F)c1 ZINC001279710692 1317366896 /nfs/dbraw/zinc/36/68/96/1317366896.db2.gz VYABMABKGMGHNJ-IBGZPJMESA-N 2 0 347.478 2.982 10 30 EFEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001280093987 1317452531 /nfs/dbraw/zinc/45/25/31/1317452531.db2.gz GECIAINXYPGPMB-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001280381773 1317535269 /nfs/dbraw/zinc/53/52/69/1317535269.db2.gz YSJJJYYFBIOZJF-QAQDUYKDSA-N 2 0 345.487 2.633 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001318803849 1328705587 /nfs/dbraw/zinc/70/55/87/1328705587.db2.gz JWXPANHXTRYOEF-INIZCTEOSA-N 2 0 347.528 2.665 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001280392184 1317540444 /nfs/dbraw/zinc/54/04/44/1317540444.db2.gz SFLUMQMSORPTGD-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001318845265 1328720038 /nfs/dbraw/zinc/72/00/38/1328720038.db2.gz KFEMFQOGXDXICV-SFHVURJKSA-N 2 0 347.547 2.903 10 30 EFEERP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001280770559 1317767739 /nfs/dbraw/zinc/76/77/39/1317767739.db2.gz SKDNFUZHFAKRRO-PMACEKPBSA-N 2 0 341.499 2.673 10 30 EFEERP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890215 1317882649 /nfs/dbraw/zinc/88/26/49/1317882649.db2.gz VNZJZTPPKJOLFQ-UXHICEINSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001281069428 1318004364 /nfs/dbraw/zinc/00/43/64/1318004364.db2.gz AWYBDRXCKUXELK-FQEVSTJZSA-N 2 0 341.499 2.592 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001318953815 1328748969 /nfs/dbraw/zinc/74/89/69/1328748969.db2.gz VILDGLPMFFPROE-GUDVDZBRSA-N 2 0 345.531 2.681 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001281449812 1318321054 /nfs/dbraw/zinc/32/10/54/1318321054.db2.gz DYLRXPLHAAVQHM-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001281839669 1318600002 /nfs/dbraw/zinc/60/00/02/1318600002.db2.gz BOPRUZXYXFUGAU-PMACEKPBSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316615112 1318613914 /nfs/dbraw/zinc/61/39/14/1318613914.db2.gz CISQIVFTTOQFMM-SCTDSRPQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001281975170 1318643408 /nfs/dbraw/zinc/64/34/08/1318643408.db2.gz LFZNIDOLGSUZIK-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001281976293 1318644324 /nfs/dbraw/zinc/64/43/24/1318644324.db2.gz UQJFWVYXVHAEOK-WOJBJXKFSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282330675 1318861032 /nfs/dbraw/zinc/86/10/32/1318861032.db2.gz ZGRPYYZHVAJJSW-UHFFFAOYSA-N 2 0 335.536 2.759 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2=CCCCC2)CC1 ZINC001282497621 1318972107 /nfs/dbraw/zinc/97/21/07/1318972107.db2.gz OZPMTWZKLXKDMS-GOSISDBHSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001282744686 1319107159 /nfs/dbraw/zinc/10/71/59/1319107159.db2.gz PYMHENGOEFWBKZ-HNAYVOBHSA-N 2 0 339.499 2.602 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001282959052 1319216806 /nfs/dbraw/zinc/21/68/06/1319216806.db2.gz SNRQNYCYMCCIDT-FHWLQOOXSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001282977579 1319233416 /nfs/dbraw/zinc/23/34/16/1319233416.db2.gz LNQDMVYPMXZWLX-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001283530084 1319794155 /nfs/dbraw/zinc/79/41/55/1319794155.db2.gz KFYHBGVZZQRYCE-WOJBJXKFSA-N 2 0 345.531 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCCCCC)C[C@@H]2C)CC1 ZINC001284034514 1320158565 /nfs/dbraw/zinc/15/85/65/1320158565.db2.gz RHXDEFHJLRWPBS-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3ccnc3CC)CCC[C@@H]12 ZINC001284056881 1320169634 /nfs/dbraw/zinc/16/96/34/1320169634.db2.gz IYFWQJMGIBDKHY-SQGPQFPESA-N 2 0 342.487 2.533 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C/CC)[C@@H]2C)CC1 ZINC001284155757 1320242374 /nfs/dbraw/zinc/24/23/74/1320242374.db2.gz WGFLKZQIHHVOLQ-YKMDAGRBSA-N 2 0 345.531 2.657 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242095 1320282792 /nfs/dbraw/zinc/28/27/92/1320282792.db2.gz DMYCVKFIEOLADE-AZUAARDMSA-N 2 0 347.547 2.642 10 30 EFEERP C=CC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001284335945 1320325022 /nfs/dbraw/zinc/32/50/22/1320325022.db2.gz PSIYMFQSRDKMKB-ROUUACIJSA-N 2 0 329.488 2.692 10 30 EFEERP C=CCC[C@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001284534156 1320407518 /nfs/dbraw/zinc/40/75/18/1320407518.db2.gz XTODNVUGYLVLFF-PKOBYXMFSA-N 2 0 335.536 2.852 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CCC(C)(C)C)C(C)C)CC1 ZINC001284557672 1320417914 /nfs/dbraw/zinc/41/79/14/1320417914.db2.gz FFPPQHDDWBGBMQ-UHFFFAOYSA-N 2 0 349.563 2.937 10 30 EFEERP C=CC[NH+]1CCC(C2(NC(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001284854248 1320563374 /nfs/dbraw/zinc/56/33/74/1320563374.db2.gz YOAYFQANBDXVFM-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[NH+]1CC=C(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001284930805 1320602671 /nfs/dbraw/zinc/60/26/71/1320602671.db2.gz XSDVAPZWJSXGTN-UHFFFAOYSA-N 2 0 333.520 2.964 10 30 EFEERP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319610084 1328929174 /nfs/dbraw/zinc/92/91/74/1328929174.db2.gz RIPZLCPGKSKFGL-ROUUACIJSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633680 1328934353 /nfs/dbraw/zinc/93/43/53/1328934353.db2.gz KAROUTQYYJENEE-AZUAARDMSA-N 2 0 347.547 2.927 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCCC1 ZINC001319657679 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ZINC001317046519 1325515918 /nfs/dbraw/zinc/51/59/18/1325515918.db2.gz XLKNGCSNPYJKHT-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001317048464 1325521009 /nfs/dbraw/zinc/52/10/09/1325521009.db2.gz KGRIRCCHMJRGEF-GBESFXJTSA-N 2 0 335.536 2.974 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317049686 1325521775 /nfs/dbraw/zinc/52/17/75/1325521775.db2.gz MVKPYKBVRVCXEI-YRXWBPOGSA-N 2 0 333.520 2.891 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001322344974 1329449939 /nfs/dbraw/zinc/44/99/39/1329449939.db2.gz ITDWDPQNCHWCPE-ROUUACIJSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102247 1325569631 /nfs/dbraw/zinc/56/96/31/1325569631.db2.gz AUSRBVDSQUYIAF-UXHICEINSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317166575 1327664380 /nfs/dbraw/zinc/66/43/80/1327664380.db2.gz MIWKCFJFOXQEGD-KRWDZBQOSA-N 2 0 341.927 2.833 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001317331478 1327861413 /nfs/dbraw/zinc/86/14/13/1327861413.db2.gz OHZXGIKWPJMBIO-GOSISDBHSA-N 2 0 343.515 2.809 10 30 EFEERP CCC[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317411099 1327960577 /nfs/dbraw/zinc/96/05/77/1327960577.db2.gz BKEWKGFPKOYNRB-INIZCTEOSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001317471963 1328059879 /nfs/dbraw/zinc/05/98/79/1328059879.db2.gz SGDJDJMNNGYZKA-RBUKOAKNSA-N 2 0 347.547 2.596 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317531687 1328117830 /nfs/dbraw/zinc/11/78/30/1328117830.db2.gz BXSMOVNAMFGYRY-MJGOQNOKSA-N 2 0 329.488 2.694 10 30 EFEERP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001317686400 1328291051 /nfs/dbraw/zinc/29/10/51/1328291051.db2.gz LWFYEEBGTFJICH-JKSUJKDBSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(C)C[N@@H+](CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001317694169 1328298388 /nfs/dbraw/zinc/29/83/88/1328298388.db2.gz RWEGUDYGBIMBPL-UHFFFAOYSA-N 2 0 341.459 2.674 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001317720651 1328329523 /nfs/dbraw/zinc/32/95/23/1328329523.db2.gz JWWQGBWUDKLRSU-IBGZPJMESA-N 2 0 334.423 2.889 10 30 EFEERP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001317721027 1328330514 /nfs/dbraw/zinc/33/05/14/1328330514.db2.gz QVRPQJWKRMFQSU-RTBURBONSA-N 2 0 329.488 2.884 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317875188 1328432901 /nfs/dbraw/zinc/43/29/01/1328432901.db2.gz CHWJEUYFPSLHCD-KRWDZBQOSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317877198 1328434103 /nfs/dbraw/zinc/43/41/03/1328434103.db2.gz UONYYWQBRMLHIO-MOPGFXCFSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCO[C@@H]1CC[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001322278196 1329443058 /nfs/dbraw/zinc/44/30/58/1329443058.db2.gz VQVSQZXMPRXPRM-UXHICEINSA-N 2 0 330.472 2.554 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001322306285 1329445286 /nfs/dbraw/zinc/44/52/86/1329445286.db2.gz JACVEDQFWQWCNT-JLAWEPINSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001323540450 1329550473 /nfs/dbraw/zinc/55/04/73/1329550473.db2.gz CUHBCNZVAGSJHP-DNVCBOLYSA-N 2 0 339.499 2.792 10 30 EFEERP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001323638267 1329557040 /nfs/dbraw/zinc/55/70/40/1329557040.db2.gz QFKULIYQMKOAGT-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001323645220 1329558407 /nfs/dbraw/zinc/55/84/07/1329558407.db2.gz YFTCENZUWWCKMP-MOPGFXCFSA-N 2 0 345.531 2.751 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001323645069 1329558711 /nfs/dbraw/zinc/55/87/11/1329558711.db2.gz XKGPNNDGGODQCH-UXHICEINSA-N 2 0 345.531 2.589 10 30 EFEERP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001323659918 1329559646 /nfs/dbraw/zinc/55/96/46/1329559646.db2.gz HIKRTLSIXQZTSQ-YQQQUEKLSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001323685582 1329561348 /nfs/dbraw/zinc/56/13/48/1329561348.db2.gz ZMBZDDCKEWEHNF-FGTMMUONSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001323734143 1329566520 /nfs/dbraw/zinc/56/65/20/1329566520.db2.gz XAUVEKOXTCIAIK-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001323733937 1329566598 /nfs/dbraw/zinc/56/65/98/1329566598.db2.gz PLCXJXIHBQCNCC-IBGZPJMESA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001323736191 1329567131 /nfs/dbraw/zinc/56/71/31/1329567131.db2.gz LLJJBRVUSKPZFI-CALCHBBNSA-N 2 0 333.520 2.748 10 30 EFEERP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001323813140 1329573834 /nfs/dbraw/zinc/57/38/34/1329573834.db2.gz OLUCUIRJUPEIEF-NRFANRHFSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001323860833 1329580813 /nfs/dbraw/zinc/58/08/13/1329580813.db2.gz WXZSFPQCQKJIMR-OAQYLSRUSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001323872466 1329581581 /nfs/dbraw/zinc/58/15/81/1329581581.db2.gz JQACYVXSAFNBJV-NRFANRHFSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001324080039 1329597377 /nfs/dbraw/zinc/59/73/77/1329597377.db2.gz DRSDPVPHOOUVJO-XLIONFOSSA-N 2 0 343.515 2.950 10 30 EFEERP C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](CC)CC1 ZINC001324407273 1329624681 /nfs/dbraw/zinc/62/46/81/1329624681.db2.gz IHQGXRANNGQDIE-UHFFFAOYSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC(CC)CC)CC1 ZINC001324439692 1329627368 /nfs/dbraw/zinc/62/73/68/1329627368.db2.gz KWYRFSYGRZEBTJ-LJQANCHMSA-N 2 0 335.536 2.689 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001324673823 1329650456 /nfs/dbraw/zinc/65/04/56/1329650456.db2.gz OJCQKGSWKZTBIF-GIWCCYDRSA-N 2 0 345.531 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001324673826 1329650655 /nfs/dbraw/zinc/65/06/55/1329650655.db2.gz OJCQKGSWKZTBIF-QQUYBBDPSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001324958161 1329663182 /nfs/dbraw/zinc/66/31/82/1329663182.db2.gz PNWBDSSZCUGNRG-ICSRJNTNSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001325415422 1329686540 /nfs/dbraw/zinc/68/65/40/1329686540.db2.gz IAMJYXNFMJPNDZ-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001325508696 1329692991 /nfs/dbraw/zinc/69/29/91/1329692991.db2.gz LIASHPCBNUWIGY-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001325642478 1329703370 /nfs/dbraw/zinc/70/33/70/1329703370.db2.gz GOHARMPKCGJMCH-DQCOHUIHSA-N 2 0 333.520 2.795 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001325656266 1329704106 /nfs/dbraw/zinc/70/41/06/1329704106.db2.gz MKQLXIACEJBOPH-BJLQDIEVSA-N 2 0 347.547 2.807 10 30 EFEERP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001325689180 1329706722 /nfs/dbraw/zinc/70/67/22/1329706722.db2.gz FCEAEBWLUMZPQT-FQEVSTJZSA-N 2 0 341.499 2.523 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001325740863 1329710016 /nfs/dbraw/zinc/71/00/16/1329710016.db2.gz PWKDNAWFAUSSBR-HSALFYBXSA-N 2 0 347.547 2.997 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001325753814 1329710918 /nfs/dbraw/zinc/71/09/18/1329710918.db2.gz MLFJPJAHYOAZGC-CEXWTWQISA-N 2 0 335.536 2.831 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001325900935 1329722809 /nfs/dbraw/zinc/72/28/09/1329722809.db2.gz UJCFDUYCNFAMRO-KZNAEPCWSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001325916383 1329723866 /nfs/dbraw/zinc/72/38/66/1329723866.db2.gz IMAPASZTIYQTDJ-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001326378694 1329751477 /nfs/dbraw/zinc/75/14/77/1329751477.db2.gz AAYUXTRDKLWMAJ-DLBZAZTESA-N 2 0 341.927 2.832 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001326411907 1329754448 /nfs/dbraw/zinc/75/44/48/1329754448.db2.gz OQEKKKJCYNHZAA-HKUYNNGSSA-N 2 0 329.488 2.694 10 30 EFEERP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001326458950 1329758681 /nfs/dbraw/zinc/75/86/81/1329758681.db2.gz UCUBYNVYWDWQNC-IRXDYDNUSA-N 2 0 329.488 2.651 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001326467031 1329758888 /nfs/dbraw/zinc/75/88/88/1329758888.db2.gz DWPWGXBXLXXBPL-PXNSSMCTSA-N 2 0 341.499 2.707 10 30 EFEERP CC[C@H](C(=O)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(C)C)[NH+](C)C ZINC001382506838 1348973882 /nfs/dbraw/zinc/97/38/82/1348973882.db2.gz PJLJYPSNVPEDKY-LJQANCHMSA-N 2 0 344.503 2.567 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001326585511 1330321572 /nfs/dbraw/zinc/32/15/72/1330321572.db2.gz HJEAUKYSOBXBRJ-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001327307907 1330456409 /nfs/dbraw/zinc/45/64/09/1330456409.db2.gz HCTVJHMFWMJAOE-MOPGFXCFSA-N 2 0 344.503 2.942 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001328079657 1330551171 /nfs/dbraw/zinc/55/11/71/1330551171.db2.gz DMJQQNOHLOBTGI-GOSISDBHSA-N 2 0 347.547 2.879 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001328586854 1330605595 /nfs/dbraw/zinc/60/55/95/1330605595.db2.gz GVLXONWKVLGFBO-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001329110840 1330668647 /nfs/dbraw/zinc/66/86/47/1330668647.db2.gz QHYLCOGYQJDUPZ-HOTGVXAUSA-N 2 0 349.906 2.516 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001329167120 1330675356 /nfs/dbraw/zinc/67/53/56/1330675356.db2.gz JXBKDKAMXVQCTR-JKSUJKDBSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001331318311 1330821317 /nfs/dbraw/zinc/82/13/17/1330821317.db2.gz KHTQRNSDJPRJKL-IEBWSBKVSA-N 2 0 344.503 2.547 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001331361634 1330828254 /nfs/dbraw/zinc/82/82/54/1330828254.db2.gz RLSPFUOOUHUFLH-RTBURBONSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001331507882 1330845856 /nfs/dbraw/zinc/84/58/56/1330845856.db2.gz YASQGYZZPHELQH-HZPDHXFCSA-N 2 0 341.459 2.672 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H]1C ZINC001331944440 1330894947 /nfs/dbraw/zinc/89/49/47/1330894947.db2.gz QDOKZOCLJRLMKN-WBVHZDCISA-N 2 0 333.476 2.890 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001332146636 1330928268 /nfs/dbraw/zinc/92/82/68/1330928268.db2.gz NLTYIRPGUFOCRI-GUDVDZBRSA-N 2 0 333.520 2.511 10 30 EFEERP C=CC[NH2+][C@H](CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1 ZINC001332222441 1330944472 /nfs/dbraw/zinc/94/44/72/1330944472.db2.gz UNBOLLSSALLJFM-LJQANCHMSA-N 2 0 341.499 2.508 10 30 EFEERP C=CC[NH2+][C@@H](CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1 ZINC001332222440 1330944771 /nfs/dbraw/zinc/94/47/71/1330944771.db2.gz UNBOLLSSALLJFM-IBGZPJMESA-N 2 0 341.499 2.508 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001332325671 1330958095 /nfs/dbraw/zinc/95/80/95/1330958095.db2.gz YVQBOOZDYGRJBF-AZUAARDMSA-N 2 0 347.547 2.949 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001333456367 1331147959 /nfs/dbraw/zinc/14/79/59/1331147959.db2.gz CCRPEJMXIWWXOV-MJGOQNOKSA-N 2 0 333.520 2.964 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001333456369 1331148127 /nfs/dbraw/zinc/14/81/27/1331148127.db2.gz CCRPEJMXIWWXOV-PKOBYXMFSA-N 2 0 333.520 2.964 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c(F)c1 ZINC001333479701 1331153121 /nfs/dbraw/zinc/15/31/21/1331153121.db2.gz NDWAUILQAINXLM-LJQANCHMSA-N 2 0 347.478 2.980 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001480272689 1333516875 /nfs/dbraw/zinc/51/68/75/1333516875.db2.gz YAMPXVSSUYSYHL-ZMBJWTFHSA-N 2 0 345.531 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCCCCC)C2)CC1 ZINC001480272733 1333516976 /nfs/dbraw/zinc/51/69/76/1333516976.db2.gz ZBAIXQLADFRCRF-LJQANCHMSA-N 2 0 347.547 2.740 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CCCCCC)C2)CC1 ZINC001480272732 1333517000 /nfs/dbraw/zinc/51/70/00/1333517000.db2.gz ZBAIXQLADFRCRF-IBGZPJMESA-N 2 0 347.547 2.740 10 30 EFEERP COc1ccc(C#N)cc1CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001363321292 1336874126 /nfs/dbraw/zinc/87/41/26/1336874126.db2.gz ZQIIXUWUNNQIGQ-BGYRXZFFSA-N 2 0 325.456 2.875 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480741831 1337970463 /nfs/dbraw/zinc/97/04/63/1337970463.db2.gz BNJDAMVAZHKERZ-OALUTQOASA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001366830820 1338084338 /nfs/dbraw/zinc/08/43/38/1338084338.db2.gz ANBWZTKOOWUQMC-IAGOWNOFSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001366841668 1338102157 /nfs/dbraw/zinc/10/21/57/1338102157.db2.gz MABAWIJBCOXTSZ-DLBZAZTESA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001367321179 1338618344 /nfs/dbraw/zinc/61/83/44/1338618344.db2.gz DFLMVHCCGSYGAD-HOTGVXAUSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001368127036 1339205586 /nfs/dbraw/zinc/20/55/86/1339205586.db2.gz VYEKASKFPQMZOO-CVEARBPZSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001368417111 1339350318 /nfs/dbraw/zinc/35/03/18/1339350318.db2.gz WDNBBASKIRNHIJ-PBHICJAKSA-N 2 0 335.879 2.658 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001370957140 1340305440 /nfs/dbraw/zinc/30/54/40/1340305440.db2.gz NKCJQQYEKBJWIR-IRXDYDNUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001374178958 1341518809 /nfs/dbraw/zinc/51/88/09/1341518809.db2.gz HKCLUNRSGVXNEN-GASCZTMLSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001377637491 1344246726 /nfs/dbraw/zinc/24/67/26/1344246726.db2.gz FJNJVQHBCMHUDT-IAGOWNOFSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001377764642 1344415202 /nfs/dbraw/zinc/41/52/02/1344415202.db2.gz JFQVGPBNUGXFFW-IRXDYDNUSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001380798259 1347886401 /nfs/dbraw/zinc/88/64/01/1347886401.db2.gz HOXSPLZNPYOFPB-QBPKDAKJSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001394008939 1357381682 /nfs/dbraw/zinc/38/16/82/1357381682.db2.gz MTZHUWSNPQJMHF-CGZBRXJRSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001381125406 1348093251 /nfs/dbraw/zinc/09/32/51/1348093251.db2.gz DCASIBNCBXXFJN-JKSUJKDBSA-N 2 0 339.911 2.727 10 30 EFEERP CC(C)N(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C[NH+](C)C(C)C ZINC001382502799 1348967649 /nfs/dbraw/zinc/96/76/49/1348967649.db2.gz AVMFVCCLIUBPAA-UHFFFAOYSA-N 2 0 344.503 2.567 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001394170718 1357543675 /nfs/dbraw/zinc/54/36/75/1357543675.db2.gz HFZWSZOLJWQVMH-JKSUJKDBSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001388765314 1352989464 /nfs/dbraw/zinc/98/94/64/1352989464.db2.gz HGVXHWWYTNPJRI-IWCQGFGOSA-N 2 0 341.927 2.686 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001388839189 1353079059 /nfs/dbraw/zinc/07/90/59/1353079059.db2.gz NWSPTUPIOGGIGA-HZPDHXFCSA-N 2 0 343.943 2.932 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001400150743 1361786668 /nfs/dbraw/zinc/78/66/68/1361786668.db2.gz CFTKGKGKHDZKAC-IAGOWNOFSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001402526966 1363760924 /nfs/dbraw/zinc/76/09/24/1363760924.db2.gz LECBLCBLGRMWOJ-JKSUJKDBSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001402677122 1363926860 /nfs/dbraw/zinc/92/68/60/1363926860.db2.gz FUNCSTVUEJMYQY-HNNXBMFYSA-N 2 0 347.906 2.780 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001403525548 1364731129 /nfs/dbraw/zinc/73/11/29/1364731129.db2.gz LCUILOAMMCYUPW-IAGOWNOFSA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC001403807249 1364962033 /nfs/dbraw/zinc/96/20/33/1364962033.db2.gz TWFJDTSRTPVYJA-MSOLQXFVSA-N 2 0 349.906 2.540 10 30 EFEERP C=C(Cl)CN(CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001404262226 1365408978 /nfs/dbraw/zinc/40/89/78/1365408978.db2.gz VONOGBIIGZSWEU-UHFFFAOYSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001408004623 1369518526 /nfs/dbraw/zinc/51/85/26/1369518526.db2.gz XVUXMNZSFPBIOV-INIZCTEOSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001417812111 1373283443 /nfs/dbraw/zinc/28/34/43/1373283443.db2.gz HXAFPEVOXYVXCS-DLBZAZTESA-N 2 0 341.927 2.880 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001418139956 1373666129 /nfs/dbraw/zinc/66/61/29/1373666129.db2.gz MRXRFVBNJXDJIN-HOTGVXAUSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001419578857 1375474535 /nfs/dbraw/zinc/47/45/35/1375474535.db2.gz KDVHQKXOCYUJGZ-SJORKVTESA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCCC1 ZINC001419789401 1375879940 /nfs/dbraw/zinc/87/99/40/1375879940.db2.gz FIQVREOKKUVJKT-HZPDHXFCSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001421010413 1378016802 /nfs/dbraw/zinc/01/68/02/1378016802.db2.gz ZFEMYTOVIMHGNE-SJORKVTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001423486472 1381979180 /nfs/dbraw/zinc/97/91/80/1381979180.db2.gz RFZOAXFUUWILMB-YOEHRIQHSA-N 2 0 345.890 2.532 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278617 1382916780 /nfs/dbraw/zinc/91/67/80/1382916780.db2.gz KUXILARRDWBRII-DLBZAZTESA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001426134131 1384016653 /nfs/dbraw/zinc/01/66/53/1384016653.db2.gz INWQFNNJSMQURB-HOTGVXAUSA-N 2 0 343.943 2.980 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001506796259 1406284864 /nfs/dbraw/zinc/28/48/64/1406284864.db2.gz QNOURAAHCTWOIK-CADBVGFASA-N 2 0 345.531 2.511 10 30 EFEERP C[N@@H+]1C[C@]23C[NH+](CCCC4(C#N)CCOCC4)C[C@@]2(C1)CCCC3 ZINC001434495574 1387180107 /nfs/dbraw/zinc/18/01/07/1387180107.db2.gz YBFZYTFEMIONSO-BGYRXZFFSA-N 2 0 331.504 2.895 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001440132879 1389404495 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C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480078587 1398113025 /nfs/dbraw/zinc/11/30/25/1398113025.db2.gz VHNKNXODOSCENJ-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480078590 1398113393 /nfs/dbraw/zinc/11/33/93/1398113393.db2.gz VHNKNXODOSCENJ-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001480187659 1398156807 /nfs/dbraw/zinc/15/68/07/1398156807.db2.gz DDONFLULGCDAEQ-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001480679660 1398279326 /nfs/dbraw/zinc/27/93/26/1398279326.db2.gz BPWAKLGTFIOJKL-SFHVURJKSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001507354555 1406939917 /nfs/dbraw/zinc/93/99/17/1406939917.db2.gz CCGXYICBQCEXQA-YTQUADARSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 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IBUZBTSBUZGEIS-LJQANCHMSA-N 2 0 333.520 2.589 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494145998 1399166489 /nfs/dbraw/zinc/16/64/89/1399166489.db2.gz WCEGYGCGPGJUDB-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001494177676 1399190639 /nfs/dbraw/zinc/19/06/39/1399190639.db2.gz ABCFDNSQIYOIFS-QGZVFWFLSA-N 2 0 345.487 2.539 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001494181806 1399195579 /nfs/dbraw/zinc/19/55/79/1399195579.db2.gz VAQWVNAHPJLDIJ-IBGZPJMESA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001494775846 1399463720 /nfs/dbraw/zinc/46/37/20/1399463720.db2.gz XMGKAYBSSJCEPT-FXAWDEMLSA-N 2 0 343.515 2.950 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001507443753 1407059002 /nfs/dbraw/zinc/05/90/02/1407059002.db2.gz MNCSMKVNZCDUHK-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001495358494 1399902862 /nfs/dbraw/zinc/90/28/62/1399902862.db2.gz VNBNFBHRQFVFAZ-IXDOHACOSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001495361539 1399906416 /nfs/dbraw/zinc/90/64/16/1399906416.db2.gz YUYNONLEZUGZAF-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001495414539 1399959839 /nfs/dbraw/zinc/95/98/39/1399959839.db2.gz BLHDZBIXRNCVBE-HXUWFJFHSA-N 2 0 345.531 2.635 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC/C=C\CC)CC1 ZINC001495415872 1399961102 /nfs/dbraw/zinc/96/11/02/1399961102.db2.gz NIEOVVOMCHUOCO-PRPIBZDOSA-N 2 0 345.531 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C/CC)C(C)(C)C2)CC1 ZINC001507454540 1407072901 /nfs/dbraw/zinc/07/29/01/1407072901.db2.gz XMPHSCPDYCMXHA-UCFODXPJSA-N 2 0 345.531 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC2CCC(C)CC2)CC1 ZINC001496238135 1400563652 /nfs/dbraw/zinc/56/36/52/1400563652.db2.gz IBFYQVBRTIJWJP-XBMUEBEBSA-N 2 0 347.547 2.594 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCCC2CCCC2)CC1 ZINC001496239918 1400564320 /nfs/dbraw/zinc/56/43/20/1400564320.db2.gz VEMXIGZZCDVRRP-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001496315696 1400632397 /nfs/dbraw/zinc/63/23/97/1400632397.db2.gz WHPSYPPXUKSQQA-RTBURBONSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001496319572 1400635031 /nfs/dbraw/zinc/63/50/31/1400635031.db2.gz AVZNAWOIUQAMED-YTQUADARSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001496443810 1400734006 /nfs/dbraw/zinc/73/40/06/1400734006.db2.gz IIGOTVDIMDNVDQ-ZWKOTPCHSA-N 2 0 347.547 2.879 10 30 EFEERP C=CC[N@@H+](C)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001507834768 1407178058 /nfs/dbraw/zinc/17/80/58/1407178058.db2.gz ZPELJUPXLIRJRE-SFHVURJKSA-N 2 0 327.488 2.554 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001498197494 1401904358 /nfs/dbraw/zinc/90/43/58/1401904358.db2.gz NJBHZODMRRBDIR-KRWDZBQOSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001508003094 1407237905 /nfs/dbraw/zinc/23/79/05/1407237905.db2.gz GVAXZAUBZXSKQB-JKSUJKDBSA-N 2 0 343.943 2.981 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001508029266 1407249001 /nfs/dbraw/zinc/24/90/01/1407249001.db2.gz DMAUUQOXHLSONM-RBUKOAKNSA-N 2 0 343.515 2.823 10 30 EFEERP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001499477773 1402632554 /nfs/dbraw/zinc/63/25/54/1402632554.db2.gz HNJMFDHGKWJAQV-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001499477771 1402632624 /nfs/dbraw/zinc/63/26/24/1402632624.db2.gz HNJMFDHGKWJAQV-PMACEKPBSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001499519237 1402656963 /nfs/dbraw/zinc/65/69/63/1402656963.db2.gz QZUWLJUBHVTXJE-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CCCCCC1 ZINC001499518975 1402656985 /nfs/dbraw/zinc/65/69/85/1402656985.db2.gz KBUNQRAQNXJPQK-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001499530630 1402665936 /nfs/dbraw/zinc/66/59/36/1402665936.db2.gz LBGLHVRDEMNNDV-SFHVURJKSA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001499531532 1402666487 /nfs/dbraw/zinc/66/64/87/1402666487.db2.gz YNDNSLJCXBVEEB-UHFFFAOYSA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001499531210 1402667152 /nfs/dbraw/zinc/66/71/52/1402667152.db2.gz SQWSBKLXSYPAME-WOJBJXKFSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001499570767 1402689990 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C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001501425136 1403600552 /nfs/dbraw/zinc/60/05/52/1403600552.db2.gz VXGDQAAELAGQKF-RBUKOAKNSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001501586882 1403636897 /nfs/dbraw/zinc/63/68/97/1403636897.db2.gz NKXHTKGLHFATQE-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001501676775 1403706737 /nfs/dbraw/zinc/70/67/37/1403706737.db2.gz PGDKWZQYSKRRLI-XLIONFOSSA-N 2 0 341.499 2.851 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001501681321 1403713402 /nfs/dbraw/zinc/71/34/02/1403713402.db2.gz GRTGTJKCAAGACJ-QGZVFWFLSA-N 2 0 341.499 2.709 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001501681320 1403713539 /nfs/dbraw/zinc/71/35/39/1403713539.db2.gz GRTGTJKCAAGACJ-KRWDZBQOSA-N 2 0 341.499 2.709 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001501696832 1403728852 /nfs/dbraw/zinc/72/88/52/1403728852.db2.gz KTWQHCKHFFUIIK-FHWLQOOXSA-N 2 0 345.531 2.539 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001501704058 1403734580 /nfs/dbraw/zinc/73/45/80/1403734580.db2.gz AZCKHOVYLZIICE-WGSAOQKQSA-N 2 0 347.547 2.786 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)C(C)(C)[NH+]3CCCC3)cccc2C1 ZINC001501854063 1403827149 /nfs/dbraw/zinc/82/71/49/1403827149.db2.gz KLBRAVXLGCPFJB-UHFFFAOYSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001502126451 1404021590 /nfs/dbraw/zinc/02/15/90/1404021590.db2.gz YKAYPWIJIPCGCV-HZPDHXFCSA-N 2 0 327.900 2.584 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001502520455 1404217077 /nfs/dbraw/zinc/21/70/77/1404217077.db2.gz ZYQKZNAOKUVUEA-UHFFFAOYSA-N 2 0 345.531 2.637 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC001502836510 1404393631 /nfs/dbraw/zinc/39/36/31/1404393631.db2.gz PYSFGMLPQZIHTI-DOTOQJQBSA-N 2 0 332.492 2.763 10 30 EFEERP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001503692847 1404500767 /nfs/dbraw/zinc/50/07/67/1404500767.db2.gz XXFNKDUGYCJGAN-IBGZPJMESA-N 2 0 329.488 2.620 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001505397812 1404551311 /nfs/dbraw/zinc/55/13/11/1404551311.db2.gz TUFAGHHZZCUFLC-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001505472607 1404708124 /nfs/dbraw/zinc/70/81/24/1404708124.db2.gz IYPINNRDZRTAAK-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CCC(C)C)CC2)CC1 ZINC001505791055 1405073332 /nfs/dbraw/zinc/07/33/32/1405073332.db2.gz DCIBGTVTWAKOTG-UHFFFAOYSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001506179564 1405510514 /nfs/dbraw/zinc/51/05/14/1405510514.db2.gz RIVLUYATACFVPN-RBUKOAKNSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001506533190 1405920433 /nfs/dbraw/zinc/92/04/33/1405920433.db2.gz PAFMBHPCFFCNLU-ROUUACIJSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001556282317 1415061138 /nfs/dbraw/zinc/06/11/38/1415061138.db2.gz DYLQWXMIORHNCD-HNNXBMFYSA-N 2 0 343.393 2.542 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001565885370 1415443818 /nfs/dbraw/zinc/44/38/18/1415443818.db2.gz YCEKKIZKZQVNDM-XUVXKRRUSA-N 2 0 343.515 2.877 10 30 EFEERP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001565923409 1415450712 /nfs/dbraw/zinc/45/07/12/1415450712.db2.gz YPTDPLWJSBHGGU-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001565923410 1415450819 /nfs/dbraw/zinc/45/08/19/1415450819.db2.gz YPTDPLWJSBHGGU-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942366 1415461117 /nfs/dbraw/zinc/46/11/17/1415461117.db2.gz YELKKVSXRPBXLR-ZBFHGGJFSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001565943311 1415461642 /nfs/dbraw/zinc/46/16/42/1415461642.db2.gz OZYNLWXPNAQQDR-HOCLYGCPSA-N 2 0 329.916 2.686 10 30 EFEERP C=CCCC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001565994390 1415473908 /nfs/dbraw/zinc/47/39/08/1415473908.db2.gz FYFGWAMWNBRVRG-BHIYHBOVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001566001207 1415478145 /nfs/dbraw/zinc/47/81/45/1415478145.db2.gz VBSLZKDSHGKPPH-WOJBJXKFSA-N 2 0 343.515 2.879 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001566002382 1415480088 /nfs/dbraw/zinc/48/00/88/1415480088.db2.gz ZASNLCABKHVBCC-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]CCC(C)C)C2)CC1 ZINC001566077691 1415507119 /nfs/dbraw/zinc/50/71/19/1415507119.db2.gz LOIBOJLPWYDESG-FQEVSTJZSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001566608972 1415692454 /nfs/dbraw/zinc/69/24/54/1415692454.db2.gz MAVJQEPYSMCWLY-RBUKOAKNSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCCCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001566612818 1415695087 /nfs/dbraw/zinc/69/50/87/1415695087.db2.gz JSEJLKCWWFSBLN-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP CCCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001566694230 1415735351 /nfs/dbraw/zinc/73/53/51/1415735351.db2.gz CEOHUDKAQSCHMT-MSOLQXFVSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566719468 1415745169 /nfs/dbraw/zinc/74/51/69/1415745169.db2.gz LJNZPRLKOSZOEO-OALUTQOASA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001566719466 1415745285 /nfs/dbraw/zinc/74/52/85/1415745285.db2.gz LJNZPRLKOSZOEO-MOPGFXCFSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566742556 1415756612 /nfs/dbraw/zinc/75/66/12/1415756612.db2.gz YIRMLPWUCQBVGO-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001566755650 1415763968 /nfs/dbraw/zinc/76/39/68/1415763968.db2.gz OBRLBKHANCZDBQ-KURKYZTESA-N 2 0 335.536 2.994 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566756586 1415764880 /nfs/dbraw/zinc/76/48/80/1415764880.db2.gz RUYFDNHQJSYLIA-GBESFXJTSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566859459 1415801856 /nfs/dbraw/zinc/80/18/56/1415801856.db2.gz CVTAKLYJNTWFIB-OTWHNJEPSA-N 2 0 329.488 2.882 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001567155698 1415956062 /nfs/dbraw/zinc/95/60/62/1415956062.db2.gz VLSKXKMCIQZSQH-MRXNPFEDSA-N 2 0 333.476 2.749 10 30 EFEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567169752 1415967212 /nfs/dbraw/zinc/96/72/12/1415967212.db2.gz RKCAUMRNZZUBKZ-ROUUACIJSA-N 2 0 333.520 2.681 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2C[C@@H](C)CC)CC1 ZINC001567266841 1416046607 /nfs/dbraw/zinc/04/66/07/1416046607.db2.gz OASHUZFJCHXJSW-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001567416437 1416127245 /nfs/dbraw/zinc/12/72/45/1416127245.db2.gz ZPKOHCIKYGKMMC-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001567627292 1416215778 /nfs/dbraw/zinc/21/57/78/1416215778.db2.gz RJQHWHIRYHTYJZ-YLJYHZDGSA-N 2 0 345.531 2.633 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001567663401 1416236135 /nfs/dbraw/zinc/23/61/35/1416236135.db2.gz IUOKOXYRBDEOJX-HXUWFJFHSA-N 2 0 341.499 2.577 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001567752253 1416273499 /nfs/dbraw/zinc/27/34/99/1416273499.db2.gz LCXNQWGWMLKOQL-IEBWSBKVSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001567763414 1416275386 /nfs/dbraw/zinc/27/53/86/1416275386.db2.gz ZXSOEZJVWQORBK-MOPGFXCFSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001567763415 1416275794 /nfs/dbraw/zinc/27/57/94/1416275794.db2.gz ZXSOEZJVWQORBK-RTBURBONSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567793746 1416284673 /nfs/dbraw/zinc/28/46/73/1416284673.db2.gz KFSKRTJPWUJRMC-IAGOWNOFSA-N 2 0 333.520 2.796 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCC(C)(C)CC1 ZINC001567966061 1416345468 /nfs/dbraw/zinc/34/54/68/1416345468.db2.gz PYLMMNIGFVACDK-OALUTQOASA-N 2 0 347.547 2.785 10 30 EFEERP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001568040096 1416371868 /nfs/dbraw/zinc/37/18/68/1416371868.db2.gz JEPWDTGEANYMBN-XLIONFOSSA-N 2 0 335.536 2.642 10 30 EFEERP C=CC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@H]1C ZINC001568044052 1416374251 /nfs/dbraw/zinc/37/42/51/1416374251.db2.gz SHDGHXKCHVDZIG-YLJYHZDGSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001568056577 1416382753 /nfs/dbraw/zinc/38/27/53/1416382753.db2.gz GJVQUFABTAZABH-SJORKVTESA-N 2 0 341.927 2.830 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001568061773 1416386574 /nfs/dbraw/zinc/38/65/74/1416386574.db2.gz PANODYVGDMMZKD-GOSISDBHSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001568127064 1416420112 /nfs/dbraw/zinc/42/01/12/1416420112.db2.gz ZJORUIOGJQYEQO-RBUKOAKNSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001568131327 1416421498 /nfs/dbraw/zinc/42/14/98/1416421498.db2.gz ANFDYWRPNUTRLL-FQEVSTJZSA-N 2 0 333.520 2.657 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CC[N@@H+](C)CCC)CC2 ZINC001568253463 1416456218 /nfs/dbraw/zinc/45/62/18/1416456218.db2.gz FQNFDWDTRZCFAP-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCCC1 ZINC001568344444 1416484555 /nfs/dbraw/zinc/48/45/55/1416484555.db2.gz ZJKBHYJYZMULCR-LJQANCHMSA-N 2 0 338.455 2.544 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001568344959 1416484562 /nfs/dbraw/zinc/48/45/62/1416484562.db2.gz AGKATKOXKIHRCJ-PMACEKPBSA-N 2 0 347.547 2.786 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001568344960 1416484566 /nfs/dbraw/zinc/48/45/66/1416484566.db2.gz AGKATKOXKIHRCJ-UXHICEINSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568387173 1416507234 /nfs/dbraw/zinc/50/72/34/1416507234.db2.gz RDZBLDYCIJVCKB-DLBZAZTESA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568387174 1416507396 /nfs/dbraw/zinc/50/73/96/1416507396.db2.gz RDZBLDYCIJVCKB-IAGOWNOFSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001686266745 1416794058 /nfs/dbraw/zinc/79/40/58/1416794058.db2.gz HBEPOMHZNVHVST-UHFFFAOYSA-N 2 0 341.499 2.515 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001690135880 1417163203 /nfs/dbraw/zinc/16/32/03/1417163203.db2.gz WTQIWPMORUMLPZ-ICSRJNTNSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001690155714 1417165797 /nfs/dbraw/zinc/16/57/97/1417165797.db2.gz GALQHWVCOJBLHK-WMZOPIPTSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001690392442 1417208408 /nfs/dbraw/zinc/20/84/08/1417208408.db2.gz XTAKCAXYXZJLDF-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC001691792954 1417247978 /nfs/dbraw/zinc/24/79/78/1417247978.db2.gz RVNMDDFSLFLPII-HXUWFJFHSA-N 2 0 341.499 2.721 10 30 EFEERP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001692117736 1417254106 /nfs/dbraw/zinc/25/41/06/1417254106.db2.gz ASXGJMYOIXRFEM-RBUKOAKNSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC(C)C)[C@@H]2C)CC1 ZINC001692236622 1417265409 /nfs/dbraw/zinc/26/54/09/1417265409.db2.gz IJQBNKJLEZWTKD-NSHGMRRFSA-N 2 0 347.547 2.593 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001692375668 1417281458 /nfs/dbraw/zinc/28/14/58/1417281458.db2.gz SXQGOJVLOAGIGT-MSOLQXFVSA-N 2 0 333.520 2.940 10 30 EFEERP CC#CC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001698726407 1417320991 /nfs/dbraw/zinc/32/09/91/1417320991.db2.gz PWZBHDCLTSFDBQ-UHFFFAOYSA-N 2 0 341.499 2.603 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001698952584 1417356246 /nfs/dbraw/zinc/35/62/46/1417356246.db2.gz LJPMCMZNARGMJG-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034567 1417378419 /nfs/dbraw/zinc/37/84/19/1417378419.db2.gz OJIVJVCWUDTBFY-RBUKOAKNSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001699672995 1417446313 /nfs/dbraw/zinc/44/63/13/1417446313.db2.gz IETCJOMIFDXTGQ-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001699674426 1417447554 /nfs/dbraw/zinc/44/75/54/1417447554.db2.gz WAJPJAXOAIANBZ-UXHICEINSA-N 2 0 345.531 2.589 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](CCCC)CC1 ZINC001699785297 1417468474 /nfs/dbraw/zinc/46/84/74/1417468474.db2.gz KKOPHNZTDLOTKB-UHFFFAOYSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001699784974 1417468655 /nfs/dbraw/zinc/46/86/55/1417468655.db2.gz ZXHPKFWASJDQMZ-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001699785179 1417468682 /nfs/dbraw/zinc/46/86/82/1417468682.db2.gz GYVUGZXDMMJDGT-RTBURBONSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001699804654 1417471658 /nfs/dbraw/zinc/47/16/58/1417471658.db2.gz CEFZBXJDCCCHDS-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001699945612 1417518096 /nfs/dbraw/zinc/51/80/96/1417518096.db2.gz UTHJOLISYOANAG-PXNSSMCTSA-N 2 0 343.515 2.807 10 30 EFEERP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713132577 1418335201 /nfs/dbraw/zinc/33/52/01/1418335201.db2.gz BJKKRQMHMAKVMV-UYAOXDASSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713242797 1418411215 /nfs/dbraw/zinc/41/12/15/1418411215.db2.gz UFAKFRCZEAIWKL-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269475 1418436238 /nfs/dbraw/zinc/43/62/38/1418436238.db2.gz DRUUQOMTNWQTNE-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC(CC)CC)C2)CC1 ZINC001713400148 1418508120 /nfs/dbraw/zinc/50/81/20/1418508120.db2.gz BBIUMWJMWGBGGK-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001713432975 1418526927 /nfs/dbraw/zinc/52/69/27/1418526927.db2.gz PEFISNDJMDRTAH-HKUYNNGSSA-N 2 0 333.520 2.940 10 30 EFEERP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001713432976 1418526951 /nfs/dbraw/zinc/52/69/51/1418526951.db2.gz PEFISNDJMDRTAH-IEBWSBKVSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001714130345 1418581853 /nfs/dbraw/zinc/58/18/53/1418581853.db2.gz VTMIUCWOTGTKKI-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001714321747 1418600981 /nfs/dbraw/zinc/60/09/81/1418600981.db2.gz ATPQAHVXLRBPLM-OALUTQOASA-N 2 0 327.472 2.595 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001715303358 1418661334 /nfs/dbraw/zinc/66/13/34/1418661334.db2.gz POXROCJDNLYLKV-QGZVFWFLSA-N 2 0 333.520 2.988 10 30 EFEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001715496878 1418677503 /nfs/dbraw/zinc/67/75/03/1418677503.db2.gz BMVZOMMBSGUWMY-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716294124 1418755863 /nfs/dbraw/zinc/75/58/63/1418755863.db2.gz QFCPPKDGNGJMJS-IPLHWJFFSA-N 2 0 333.520 2.869 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001716638221 1418933725 /nfs/dbraw/zinc/93/37/25/1418933725.db2.gz XTJFQQJDHFERAL-RBUKOAKNSA-N 2 0 347.547 2.739 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716706537 1418965494 /nfs/dbraw/zinc/96/54/94/1418965494.db2.gz QUMOAPIKABLVGG-RBUKOAKNSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001716725001 1418975797 /nfs/dbraw/zinc/97/57/97/1418975797.db2.gz QLLVBYTWMYRMJB-IBGZPJMESA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001716731479 1418980906 /nfs/dbraw/zinc/98/09/06/1418980906.db2.gz MWVJURFTNZOJJS-AZUAARDMSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001716787642 1419008522 /nfs/dbraw/zinc/00/85/22/1419008522.db2.gz GBNKUIRTJHPIJP-RBUKOAKNSA-N 2 0 329.488 2.836 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001716811977 1419025185 /nfs/dbraw/zinc/02/51/85/1419025185.db2.gz VCYGWCOCMODFPS-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCCCCC)CC1 ZINC001716811882 1419025652 /nfs/dbraw/zinc/02/56/52/1419025652.db2.gz QFKSFCXCLFEPQI-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812886 1419025786 /nfs/dbraw/zinc/02/57/86/1419025786.db2.gz UKDCUQSFGUSYHZ-UTKZUKDTSA-N 2 0 349.478 2.562 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001716812887 1419026112 /nfs/dbraw/zinc/02/61/12/1419026112.db2.gz UKDCUQSFGUSYHZ-UWJYYQICSA-N 2 0 349.478 2.562 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001716869700 1419065828 /nfs/dbraw/zinc/06/58/28/1419065828.db2.gz WBOUXVIETVXRPS-UYAOXDASSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001716889561 1419077200 /nfs/dbraw/zinc/07/72/00/1419077200.db2.gz ORLBBTVHZAUYBB-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001716912593 1419095164 /nfs/dbraw/zinc/09/51/64/1419095164.db2.gz LAESYJFDQGZNEB-INIZCTEOSA-N 2 0 343.462 2.512 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1CC ZINC001716953451 1419107596 /nfs/dbraw/zinc/10/75/96/1419107596.db2.gz ACYFAXYJCFJQBF-HXUWFJFHSA-N 2 0 343.515 2.914 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001716954033 1419107987 /nfs/dbraw/zinc/10/79/87/1419107987.db2.gz MQKBEXNIOOUHBR-SZVBFZGTSA-N 2 0 329.488 2.522 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC/C=C\CC)C2)CC1 ZINC001716974958 1419118846 /nfs/dbraw/zinc/11/88/46/1419118846.db2.gz HKQUEFBJADEZKV-AQIYZVDXSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001717013953 1419148296 /nfs/dbraw/zinc/14/82/96/1419148296.db2.gz YRPJXMQHXKVVLU-RLLQIKCJSA-N 2 0 347.547 2.852 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001717101278 1419208648 /nfs/dbraw/zinc/20/86/48/1419208648.db2.gz IZWXYNOHRDJRKC-DLBZAZTESA-N 2 0 341.927 2.830 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717101781 1419208861 /nfs/dbraw/zinc/20/88/61/1419208861.db2.gz SUWCWDLAWITDTR-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717106276 1419212137 /nfs/dbraw/zinc/21/21/37/1419212137.db2.gz MFRWGQXHJMDWRT-QUCCMNQESA-N 2 0 341.499 2.531 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110934 1419215826 /nfs/dbraw/zinc/21/58/26/1419215826.db2.gz KIAKVMNENHQISK-DLBZAZTESA-N 2 0 341.927 2.688 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111228 1419216013 /nfs/dbraw/zinc/21/60/13/1419216013.db2.gz NWMVSCFAPSVIHB-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001717199693 1419261984 /nfs/dbraw/zinc/26/19/84/1419261984.db2.gz RJPKHSPCAJYIHI-FQEVSTJZSA-N 2 0 343.515 2.708 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001717239127 1419281763 /nfs/dbraw/zinc/28/17/63/1419281763.db2.gz ZDWSIOUTFBTHNR-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001717245358 1419288560 /nfs/dbraw/zinc/28/85/60/1419288560.db2.gz RFBABQRRSAHKMV-HXUWFJFHSA-N 2 0 343.515 2.838 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001717247130 1419290606 /nfs/dbraw/zinc/29/06/06/1419290606.db2.gz COQHIYZRMPIJNM-RTWAWAEBSA-N 2 0 345.531 2.753 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717271108 1419300010 /nfs/dbraw/zinc/30/00/10/1419300010.db2.gz XPGNDNRLQZVBTL-SFHVURJKSA-N 2 0 341.499 2.926 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001717297692 1419313169 /nfs/dbraw/zinc/31/31/69/1419313169.db2.gz FKUSAOGRBBJROO-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001717313400 1419324984 /nfs/dbraw/zinc/32/49/84/1419324984.db2.gz SSEYSSWCRLKMQZ-LJQANCHMSA-N 2 0 345.531 2.515 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001717340926 1419341842 /nfs/dbraw/zinc/34/18/42/1419341842.db2.gz KBIWPHWZLNLCCR-NSHGMRRFSA-N 2 0 341.499 2.638 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)CC2)CC1 ZINC001717348362 1419347234 /nfs/dbraw/zinc/34/72/34/1419347234.db2.gz DIUZYMGJSVXPFG-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001717348600 1419347824 /nfs/dbraw/zinc/34/78/24/1419347824.db2.gz NIWHUQHQSMOTGO-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001717365178 1419358017 /nfs/dbraw/zinc/35/80/17/1419358017.db2.gz JQPVTTCERHECNT-QUCCMNQESA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001717377284 1419369167 /nfs/dbraw/zinc/36/91/67/1419369167.db2.gz AYTLWYGYBSVYFW-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001717377810 1419369181 /nfs/dbraw/zinc/36/91/81/1419369181.db2.gz OREKQXSMACKSCS-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001717514580 1419422539 /nfs/dbraw/zinc/42/25/39/1419422539.db2.gz UGYZVGMRDXIECL-WOJBJXKFSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001717523760 1419426718 /nfs/dbraw/zinc/42/67/18/1419426718.db2.gz DFWCSGMOVFJQQA-QZTJIDSGSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001717527201 1419428600 /nfs/dbraw/zinc/42/86/00/1419428600.db2.gz XOHXNDZYVWDOFM-KRWDZBQOSA-N 2 0 333.520 2.846 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001717551702 1419441095 /nfs/dbraw/zinc/44/10/95/1419441095.db2.gz YBBUUEHGGZKSHK-CQSZACIVSA-N 2 0 335.517 2.826 10 30 EFEERP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001717625098 1419474281 /nfs/dbraw/zinc/47/42/81/1419474281.db2.gz WMBQLSOZWDREEH-OKZBNKHCSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001717629071 1419477750 /nfs/dbraw/zinc/47/77/50/1419477750.db2.gz JKILMCBCCYPPNG-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001717629228 1419477850 /nfs/dbraw/zinc/47/78/50/1419477850.db2.gz NKBQPRWYFXFVQC-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001717632143 1419480020 /nfs/dbraw/zinc/48/00/20/1419480020.db2.gz AYYXMCNCTMCIIL-OYRHEFFESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@]2(C)C1 ZINC001717632923 1419480484 /nfs/dbraw/zinc/48/04/84/1419480484.db2.gz WNXOBJSFVULLEW-NRSPTQNISA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717684398 1419504653 /nfs/dbraw/zinc/50/46/53/1419504653.db2.gz LXEBHTALTFUELA-MAUKXSAKSA-N 2 0 327.488 2.650 10 30 EFEERP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717684397 1419504892 /nfs/dbraw/zinc/50/48/92/1419504892.db2.gz LXEBHTALTFUELA-CRAIPNDOSA-N 2 0 327.488 2.650 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001717717390 1419524428 /nfs/dbraw/zinc/52/44/28/1419524428.db2.gz WAIXJDLHKGELDT-LJQANCHMSA-N 2 0 341.499 2.886 10 30 EFEERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001717740981 1419532143 /nfs/dbraw/zinc/53/21/43/1419532143.db2.gz JQNNSWJYLDFWQA-QUCCMNQESA-N 2 0 343.515 2.595 10 30 EFEERP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001717861092 1419588875 /nfs/dbraw/zinc/58/88/75/1419588875.db2.gz SZHPDEQHNTZLRP-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001717861094 1419589277 /nfs/dbraw/zinc/58/92/77/1419589277.db2.gz SZHPDEQHNTZLRP-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+][C@@H](C)CCC=C)C(C)(C)C2)CC1 ZINC001717905827 1419612730 /nfs/dbraw/zinc/61/27/30/1419612730.db2.gz UMBIXGHPXKDBIC-HKUYNNGSSA-N 2 0 345.531 2.513 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+][C@@H](C)CCC=C)C(C)(C)C2)CC1 ZINC001717905833 1419612975 /nfs/dbraw/zinc/61/29/75/1419612975.db2.gz UMBIXGHPXKDBIC-PKOBYXMFSA-N 2 0 345.531 2.513 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001717909409 1419615291 /nfs/dbraw/zinc/61/52/91/1419615291.db2.gz RRBDTXKRSBDVOP-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C(F)(F)F ZINC001717909408 1419615346 /nfs/dbraw/zinc/61/53/46/1419615346.db2.gz RRBDTXKRSBDVOP-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C#CCC[N@@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001717952630 1419626558 /nfs/dbraw/zinc/62/65/58/1419626558.db2.gz KGFRAGCVEGGANA-UHFFFAOYSA-N 2 0 329.488 2.554 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(CC)CC)C(C)(C)C)CC1 ZINC001717973820 1419636295 /nfs/dbraw/zinc/63/62/95/1419636295.db2.gz MDIGWPLJXZUMMZ-IBGZPJMESA-N 2 0 349.563 2.888 10 30 EFEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001717983272 1419642192 /nfs/dbraw/zinc/64/21/92/1419642192.db2.gz BZHZXVRFTIQVAG-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001722945689 1424378819 /nfs/dbraw/zinc/37/88/19/1424378819.db2.gz QQSPRXCORGABBP-PKOBYXMFSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001722945687 1424379309 /nfs/dbraw/zinc/37/93/09/1424379309.db2.gz QQSPRXCORGABBP-MJGOQNOKSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC(C)C)CC1 ZINC001722955854 1424384747 /nfs/dbraw/zinc/38/47/47/1424384747.db2.gz HISJDXNOXJEEHZ-UXHICEINSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723100917 1424423619 /nfs/dbraw/zinc/42/36/19/1424423619.db2.gz ITSPUUVZVUYTME-QGZVFWFLSA-N 2 0 341.927 2.974 10 30 EFEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1CC ZINC001723378655 1424480231 /nfs/dbraw/zinc/48/02/31/1424480231.db2.gz QENOTCRHPROKDV-RTBURBONSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723605587 1424529407 /nfs/dbraw/zinc/52/94/07/1424529407.db2.gz AFVCEKNABRTJKI-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001723608895 1424534511 /nfs/dbraw/zinc/53/45/11/1424534511.db2.gz SQRRVWUMZXSBRD-RBUKOAKNSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001723610263 1424535785 /nfs/dbraw/zinc/53/57/85/1424535785.db2.gz WAAWXQJJLZFCQU-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001723631186 1424540276 /nfs/dbraw/zinc/54/02/76/1424540276.db2.gz FZIRLFSHOKRZEH-MSOLQXFVSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001723648106 1424546125 /nfs/dbraw/zinc/54/61/25/1424546125.db2.gz YDMDBIZBDCITKO-FQEVSTJZSA-N 2 0 345.531 2.607 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001723649240 1424548019 /nfs/dbraw/zinc/54/80/19/1424548019.db2.gz JCRDAVUOYUOEDZ-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001723698164 1424559848 /nfs/dbraw/zinc/55/98/48/1424559848.db2.gz IMFLYVMSUTZBTP-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001724065086 1424644133 /nfs/dbraw/zinc/64/41/33/1424644133.db2.gz NTDODDVCRHOSDW-UHFFFAOYSA-N 2 0 347.547 2.833 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001724271296 1424718904 /nfs/dbraw/zinc/71/89/04/1424718904.db2.gz AMFTVCNDAKVUAJ-GOSISDBHSA-N 2 0 341.927 2.833 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCC(C)C)C2)CC1 ZINC001724274662 1424719698 /nfs/dbraw/zinc/71/96/98/1424719698.db2.gz XWSDRROJZCGBOO-NRFANRHFSA-N 2 0 347.547 2.596 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001724306313 1424725661 /nfs/dbraw/zinc/72/56/61/1424725661.db2.gz AWCJVXZWCVQOIY-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724341059 1424741003 /nfs/dbraw/zinc/74/10/03/1424741003.db2.gz PNBOGHNSKPLDGA-FQEVSTJZSA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001724508010 1424774473 /nfs/dbraw/zinc/77/44/73/1424774473.db2.gz IXKNNQMZJNWZAR-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511106 1424775929 /nfs/dbraw/zinc/77/59/29/1424775929.db2.gz FWDXKBXQXQMZJP-PKOBYXMFSA-N 2 0 329.488 2.524 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1CC ZINC001724511857 1424776191 /nfs/dbraw/zinc/77/61/91/1424776191.db2.gz NCUKYEIDANCBQB-HXUWFJFHSA-N 2 0 341.499 2.505 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724614460 1424835056 /nfs/dbraw/zinc/83/50/56/1424835056.db2.gz QMPCITFNQUURLR-GUDVDZBRSA-N 2 0 347.547 2.949 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001724626604 1424852521 /nfs/dbraw/zinc/85/25/21/1424852521.db2.gz HVSZLXQXZQRVFU-HSALFYBXSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654811 1424889984 /nfs/dbraw/zinc/88/99/84/1424889984.db2.gz JVJTUWJLVHVEAU-ROUUACIJSA-N 2 0 333.520 2.892 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749567 1424978975 /nfs/dbraw/zinc/97/89/75/1424978975.db2.gz NONWXFFOKOQEEG-FXAWDEMLSA-N 2 0 341.499 2.850 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001724760010 1424990586 /nfs/dbraw/zinc/99/05/86/1424990586.db2.gz PCTVYHHWUUJRLF-RTBURBONSA-N 2 0 345.531 2.894 10 30 EFEERP C=CC[N@@H+]1CCc2c(CNC(=O)CC[NH+]3CCCCC3)cccc2C1 ZINC001724776008 1425004081 /nfs/dbraw/zinc/00/40/81/1425004081.db2.gz DXSVBCHGQDNGOQ-UHFFFAOYSA-N 2 0 341.499 2.723 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001724837818 1425052512 /nfs/dbraw/zinc/05/25/12/1425052512.db2.gz RQBRFNSBRTTYQI-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001724867945 1425083759 /nfs/dbraw/zinc/08/37/59/1425083759.db2.gz NWCHXERSQHFIQG-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724897135 1425115083 /nfs/dbraw/zinc/11/50/83/1425115083.db2.gz HMUMBQRZBXBRRC-GOSISDBHSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001724898090 1425116620 /nfs/dbraw/zinc/11/66/20/1425116620.db2.gz LSTMRLNXFBZFFR-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001724900810 1425120456 /nfs/dbraw/zinc/12/04/56/1425120456.db2.gz RMGWTYCZVMDBJJ-ICSRJNTNSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001724958831 1425166864 /nfs/dbraw/zinc/16/68/64/1425166864.db2.gz LGVOKMDFZDWWDY-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001725025629 1425237093 /nfs/dbraw/zinc/23/70/93/1425237093.db2.gz HVOXYNONMYQXQI-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001725025630 1425237174 /nfs/dbraw/zinc/23/71/74/1425237174.db2.gz HVOXYNONMYQXQI-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001725026147 1425237276 /nfs/dbraw/zinc/23/72/76/1425237276.db2.gz IHEROAGVLILAGP-SFHVURJKSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001725032290 1425242663 /nfs/dbraw/zinc/24/26/63/1425242663.db2.gz LPUIZPMTFRPHAQ-RTBURBONSA-N 2 0 341.499 2.809 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725045614 1425258463 /nfs/dbraw/zinc/25/84/63/1425258463.db2.gz YAGPLFAVVNIEAP-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001725056244 1425267889 /nfs/dbraw/zinc/26/78/89/1425267889.db2.gz SHNOZHCEGMPEMD-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725056344 1425268292 /nfs/dbraw/zinc/26/82/92/1425268292.db2.gz TWNLCPNPYVJNBO-WOJBJXKFSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725183704 1425363243 /nfs/dbraw/zinc/36/32/43/1425363243.db2.gz NQZHGKPNJUMHQW-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001725215657 1425384243 /nfs/dbraw/zinc/38/42/43/1425384243.db2.gz ZHEVGRQYHBADMU-IBGZPJMESA-N 2 0 340.471 2.742 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001725215949 1425384829 /nfs/dbraw/zinc/38/48/29/1425384829.db2.gz YWFNHCYUXODELP-MOPGFXCFSA-N 2 0 335.536 2.593 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290016 1425443787 /nfs/dbraw/zinc/44/37/87/1425443787.db2.gz NVJHZARBYNAXHP-IAGOWNOFSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337286 1425482009 /nfs/dbraw/zinc/48/20/09/1425482009.db2.gz OWJZBTNKRBLEIB-BZSNNMDCSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337287 1425482377 /nfs/dbraw/zinc/48/23/77/1425482377.db2.gz OWJZBTNKRBLEIB-KSZLIROESA-N 2 0 335.536 2.757 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001725339425 1425486874 /nfs/dbraw/zinc/48/68/74/1425486874.db2.gz WCPYFGVGJAEJBX-KZNAEPCWSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001725343757 1425492238 /nfs/dbraw/zinc/49/22/38/1425492238.db2.gz XTGHGOIOVWVYTQ-QYZOEREBSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001725664760 1425763897 /nfs/dbraw/zinc/76/38/97/1425763897.db2.gz MWGBNSFEFMRHCC-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)(C)C ZINC001725743101 1425810718 /nfs/dbraw/zinc/81/07/18/1425810718.db2.gz FMBQEVVZIKFQGT-QGZVFWFLSA-N 2 0 341.459 2.578 10 30 EFEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725771628 1425837591 /nfs/dbraw/zinc/83/75/91/1425837591.db2.gz PTKGNBXBHVLNNA-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C(F)(F)F ZINC001725779822 1425845331 /nfs/dbraw/zinc/84/53/31/1425845331.db2.gz GNIITXREFNZRCK-UONOGXRCSA-N 2 0 349.441 2.519 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001725784188 1425849224 /nfs/dbraw/zinc/84/92/24/1425849224.db2.gz XHDIVCBOOIPBBB-CABCVRRESA-N 2 0 349.441 2.663 10 30 EFEERP C=CCCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001725819542 1425879133 /nfs/dbraw/zinc/87/91/33/1425879133.db2.gz QARLATIGYWPRHZ-UHFFFAOYSA-N 2 0 333.520 2.965 10 30 EFEERP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731294599 1426372512 /nfs/dbraw/zinc/37/25/12/1426372512.db2.gz LVVDYYHVRPMJED-PKOBYXMFSA-N 2 0 333.520 2.633 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001731295418 1426372795 /nfs/dbraw/zinc/37/27/95/1426372795.db2.gz NWYXOWORUFQMHQ-DNVCBOLYSA-N 2 0 338.455 2.639 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)C(C)C ZINC000891940480 715166212 /nfs/dbraw/zinc/16/62/12/715166212.db2.gz PLLDBUUAYWZBNG-IPMKNSEASA-N 2 0 348.535 2.563 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925646318 720703474 /nfs/dbraw/zinc/70/34/74/720703474.db2.gz YEJQMFHOWSSBDT-BACDZXNISA-N 2 0 326.444 2.503 10 30 EFEERP C#CCC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000895674637 724248083 /nfs/dbraw/zinc/24/80/83/724248083.db2.gz BCHHVNSSFUDMGY-UHFFFAOYSA-N 2 0 342.483 2.511 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000908083227 727088418 /nfs/dbraw/zinc/08/84/18/727088418.db2.gz RGRVPFGCSCUMRS-QGZVFWFLSA-N 2 0 349.544 2.845 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000908145739 727102227 /nfs/dbraw/zinc/10/22/27/727102227.db2.gz IHASHALFBVXECP-OAQYLSRUSA-N 2 0 341.499 2.619 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000911301312 727523624 /nfs/dbraw/zinc/52/36/24/727523624.db2.gz ZIXDDEJKHRNQJP-UHFFFAOYSA-N 2 0 336.505 2.746 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941137708 727862432 /nfs/dbraw/zinc/86/24/32/727862432.db2.gz CVQIZSLVMDYHHT-GOSISDBHSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940979294 728347367 /nfs/dbraw/zinc/34/73/67/728347367.db2.gz GWHYSBHGJOVGSI-BZSNNMDCSA-N 2 0 335.536 2.900 10 30 EFEERP N#Cc1ccc(C[NH+]2CCC3(C[N@H+](C4CCC4)C[C@@H]3CO)CC2)cc1 ZINC000169782435 728404649 /nfs/dbraw/zinc/40/46/49/728404649.db2.gz FMKRICRVFGZMND-LJQANCHMSA-N 2 0 339.483 2.617 10 30 EFEERP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001569452473 1085239652 /nfs/dbraw/zinc/23/96/52/1085239652.db2.gz TXSHCITVOBXZLD-LJQANCHMSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001569455258 1085241848 /nfs/dbraw/zinc/24/18/48/1085241848.db2.gz DPBVLULJQJJAFD-GOSISDBHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001569522100 1085334770 /nfs/dbraw/zinc/33/47/70/1085334770.db2.gz JJTJFAZETNWOMK-VQIMIIECSA-N 2 0 329.488 2.907 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001569595905 1085419798 /nfs/dbraw/zinc/41/97/98/1085419798.db2.gz GJUJRBBNGXMACU-RTBURBONSA-N 2 0 347.547 2.547 10 30 EFEERP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001569648663 1085482650 /nfs/dbraw/zinc/48/26/50/1085482650.db2.gz YORWWBQIWDGADI-NRFANRHFSA-N 2 0 343.515 2.951 10 30 EFEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001569704184 1085533599 /nfs/dbraw/zinc/53/35/99/1085533599.db2.gz FTAULBDTUCWYSZ-IBGZPJMESA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001569705886 1085535276 /nfs/dbraw/zinc/53/52/76/1085535276.db2.gz ZKXAWBVBUWRINB-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001569709731 1085538267 /nfs/dbraw/zinc/53/82/67/1085538267.db2.gz ZOFXUEYWEVCQCJ-LJQANCHMSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001569716404 1085551881 /nfs/dbraw/zinc/55/18/81/1085551881.db2.gz XDVVWEGRPNEXKR-CTNGQTDRSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001569722659 1085558225 /nfs/dbraw/zinc/55/82/25/1085558225.db2.gz MOEMROLNDQOZHD-HXUWFJFHSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001569865939 1085692500 /nfs/dbraw/zinc/69/25/00/1085692500.db2.gz AYJIKJCNYUKMNL-IYARVYRRSA-N 2 0 333.520 2.561 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001569869312 1085698744 /nfs/dbraw/zinc/69/87/44/1085698744.db2.gz RPBZVNZSJQKQQA-PMACEKPBSA-N 2 0 341.499 2.808 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001569883479 1085715825 /nfs/dbraw/zinc/71/58/25/1085715825.db2.gz DFTPKKZJJVSDNK-SLFFLAALSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001569920301 1085769688 /nfs/dbraw/zinc/76/96/88/1085769688.db2.gz YFABYKNEAPHZNL-IPMKNSEASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001569921141 1085771048 /nfs/dbraw/zinc/77/10/48/1085771048.db2.gz BYIUCAWBPYJBFN-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001569998845 1085841662 /nfs/dbraw/zinc/84/16/62/1085841662.db2.gz VEMQTJYKJUDVSL-UYAOXDASSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001570021854 1085868604 /nfs/dbraw/zinc/86/86/04/1085868604.db2.gz JWZPMBWHUZXSJQ-INIZCTEOSA-N 2 0 349.906 2.943 10 30 EFEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001570031848 1085883232 /nfs/dbraw/zinc/88/32/32/1085883232.db2.gz WMXIJQQRAWXUKY-GPMSIDNRSA-N 2 0 329.488 2.870 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001570043570 1085895932 /nfs/dbraw/zinc/89/59/32/1085895932.db2.gz XLVUMHXVAIRWSR-QWFCFKBJSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001570052095 1085907023 /nfs/dbraw/zinc/90/70/23/1085907023.db2.gz IFGFYLYLGHCXEB-IEBWSBKVSA-N 2 0 345.531 2.607 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001570179733 1086021571 /nfs/dbraw/zinc/02/15/71/1086021571.db2.gz UVHQRLQHMCWLML-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570269371 1086104787 /nfs/dbraw/zinc/10/47/87/1086104787.db2.gz UHEBMSBKYYSQAJ-PMACEKPBSA-N 2 0 343.515 2.836 10 30 EFEERP C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001570269687 1086106955 /nfs/dbraw/zinc/10/69/55/1086106955.db2.gz ZYYYLYAWHOKCHU-FQEVSTJZSA-N 2 0 343.515 2.838 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001570273972 1086114406 /nfs/dbraw/zinc/11/44/06/1086114406.db2.gz ZWXGBWJWPFWYBH-ZVDOUQERSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001570485916 1086278648 /nfs/dbraw/zinc/27/86/48/1086278648.db2.gz UHFDSECQFKGDDZ-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570521885 1086307703 /nfs/dbraw/zinc/30/77/03/1086307703.db2.gz ILJODSBLOAVHPX-VAMGGRTRSA-N 2 0 343.515 2.911 10 30 EFEERP C=CCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530426 1086319636 /nfs/dbraw/zinc/31/96/36/1086319636.db2.gz KUZNFFYAMIWWMD-GUDVDZBRSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCCCC)CC1 ZINC001570548963 1086350705 /nfs/dbraw/zinc/35/07/05/1086350705.db2.gz SQZGCSCHCJKOJC-HXUWFJFHSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001570551780 1086358233 /nfs/dbraw/zinc/35/82/33/1086358233.db2.gz UJSLQZHHKCHIGH-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570680653 1086456847 /nfs/dbraw/zinc/45/68/47/1086456847.db2.gz JORIGKBWKGIUDT-IBGZPJMESA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001570680654 1086457394 /nfs/dbraw/zinc/45/73/94/1086457394.db2.gz JORIGKBWKGIUDT-LJQANCHMSA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001570775485 1086511422 /nfs/dbraw/zinc/51/14/22/1086511422.db2.gz SPYKQWXXPJPJSV-SFHVURJKSA-N 2 0 335.536 2.737 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001570805905 1086529699 /nfs/dbraw/zinc/52/96/99/1086529699.db2.gz NREVRQHELFTBNC-UHFFFAOYSA-N 2 0 341.499 2.794 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001570804791 1086530176 /nfs/dbraw/zinc/53/01/76/1086530176.db2.gz XELQYFJKRHYIKL-MSOLQXFVSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001570845497 1086563531 /nfs/dbraw/zinc/56/35/31/1086563531.db2.gz KKQKUTWLJRWCRV-DLBZAZTESA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001570845500 1086563593 /nfs/dbraw/zinc/56/35/93/1086563593.db2.gz KKQKUTWLJRWCRV-SJORKVTESA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCCCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001570908018 1086607595 /nfs/dbraw/zinc/60/75/95/1086607595.db2.gz SYQSVJRQNRIKCQ-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001571021289 1086645250 /nfs/dbraw/zinc/64/52/50/1086645250.db2.gz GCXUOYBYQLQTFA-ZCNNSNEGSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001571043518 1086653669 /nfs/dbraw/zinc/65/36/69/1086653669.db2.gz GLMCDECOLUQHGC-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571068000 1086659467 /nfs/dbraw/zinc/65/94/67/1086659467.db2.gz CMNJCXZQFFAYMV-QGZVKYPTSA-N 2 0 335.536 2.852 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001571138804 1086669648 /nfs/dbraw/zinc/66/96/48/1086669648.db2.gz GDKCPCBVPLMBJG-IYARVYRRSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001571361811 1086757293 /nfs/dbraw/zinc/75/72/93/1086757293.db2.gz WWOFMMORBBUJAU-MOPGFXCFSA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001571419490 1086798269 /nfs/dbraw/zinc/79/82/69/1086798269.db2.gz SKESFUMCIQOUOO-SFHVURJKSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001571510483 1086915881 /nfs/dbraw/zinc/91/58/81/1086915881.db2.gz FDACSXOOMMBHOS-XUVXKRRUSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001571510482 1086916018 /nfs/dbraw/zinc/91/60/18/1086916018.db2.gz FDACSXOOMMBHOS-VAMGGRTRSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001571537400 1086944388 /nfs/dbraw/zinc/94/43/88/1086944388.db2.gz BFUIRWXENZLFFC-DLBZAZTESA-N 2 0 333.520 2.537 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001571559378 1086960766 /nfs/dbraw/zinc/96/07/66/1086960766.db2.gz DFRPJUULEBHZTI-DLBZAZTESA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001571571821 1086971809 /nfs/dbraw/zinc/97/18/09/1086971809.db2.gz IAXNHVYCBDEPLK-LSDHHAIUSA-N 2 0 349.441 2.519 10 30 EFEERP C#CCC[N@@H+](C)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001571615334 1086988783 /nfs/dbraw/zinc/98/87/83/1086988783.db2.gz NXGJSVQLWMXMQF-UHFFFAOYSA-N 2 0 329.488 2.554 10 30 EFEERP CC#CC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001571670739 1087035495 /nfs/dbraw/zinc/03/54/95/1087035495.db2.gz YSXVSZNNHMXPPR-UHFFFAOYSA-N 2 0 345.531 2.637 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001585127759 1092379323 /nfs/dbraw/zinc/37/93/23/1092379323.db2.gz CDQFCCHZJMTLCJ-GUDVDZBRSA-N 2 0 335.536 2.922 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267045176 1092447125 /nfs/dbraw/zinc/44/71/25/1092447125.db2.gz NRXJUDXRAJDVPN-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001649462523 1092498338 /nfs/dbraw/zinc/49/83/38/1092498338.db2.gz KDFHSVPPXYFHED-MOPGFXCFSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001649467006 1092505180 /nfs/dbraw/zinc/50/51/80/1092505180.db2.gz YAYHJFILSZTZKQ-UHFFFAOYSA-N 2 0 328.460 2.907 10 30 EFEERP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001267144589 1092902003 /nfs/dbraw/zinc/90/20/03/1092902003.db2.gz BIJQNSQUHZATQX-GOSISDBHSA-N 2 0 343.515 2.500 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001279585501 1092907358 /nfs/dbraw/zinc/90/73/58/1092907358.db2.gz CELODGVADQRTGC-RBUKOAKNSA-N 2 0 333.520 2.894 10 30 EFEERP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001267168147 1093031077 /nfs/dbraw/zinc/03/10/77/1093031077.db2.gz NEBRDXRVXNSDAL-SFHVURJKSA-N 2 0 344.503 2.699 10 30 EFEERP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267176494 1093075065 /nfs/dbraw/zinc/07/50/65/1093075065.db2.gz IXLGDUUIPSYHSX-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267200500 1093171274 /nfs/dbraw/zinc/17/12/74/1093171274.db2.gz CROSODZVBBLPNX-SJORKVTESA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222458 1093254688 /nfs/dbraw/zinc/25/46/88/1093254688.db2.gz NLGVPENFQUUSMK-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267267139 1093425777 /nfs/dbraw/zinc/42/57/77/1093425777.db2.gz LNTDNBIZWQQDMZ-RTBURBONSA-N 2 0 335.536 2.879 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267267132 1093425878 /nfs/dbraw/zinc/42/58/78/1093425878.db2.gz LNTDNBIZWQQDMZ-MOPGFXCFSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267604179 1094418858 /nfs/dbraw/zinc/41/88/58/1094418858.db2.gz OFCWCQPSTYUMLQ-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481092700 1094422910 /nfs/dbraw/zinc/42/29/10/1094422910.db2.gz MZFRNTZIUYNMBK-PKOBYXMFSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481100421 1094501677 /nfs/dbraw/zinc/50/16/77/1094501677.db2.gz PTOPMJQESXKEHR-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481459841 1094658204 /nfs/dbraw/zinc/65/82/04/1094658204.db2.gz LVNQXMNQSRSWHM-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCOCCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001621007554 1094700441 /nfs/dbraw/zinc/70/04/41/1094700441.db2.gz FSPFHYXLOVKIFX-UHFFFAOYSA-N 2 0 342.386 2.752 10 30 EFEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267489620 1094928588 /nfs/dbraw/zinc/92/85/88/1094928588.db2.gz WAUGHINHGVOYEU-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267489619 1094928896 /nfs/dbraw/zinc/92/88/96/1094928896.db2.gz WAUGHINHGVOYEU-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267492776 1094951696 /nfs/dbraw/zinc/95/16/96/1094951696.db2.gz MIASHTUVGPIFCJ-SJORKVTESA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC001481517561 1095066417 /nfs/dbraw/zinc/06/64/17/1095066417.db2.gz NMVKTHVHCDGBCM-SFHVURJKSA-N 2 0 344.503 2.500 10 30 EFEERP C=CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001481170123 1095104042 /nfs/dbraw/zinc/10/40/42/1095104042.db2.gz FIQPLFFUZBACQR-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCCCC)C1 ZINC001481535511 1095173974 /nfs/dbraw/zinc/17/39/74/1095173974.db2.gz QVFQSTXEDYBLLF-OALUTQOASA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001267536096 1095391891 /nfs/dbraw/zinc/39/18/91/1095391891.db2.gz MILNSEWBRZWCHY-MSOLQXFVSA-N 2 0 332.492 2.875 10 30 EFEERP C=CCC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC001268122075 1095411072 /nfs/dbraw/zinc/41/10/72/1095411072.db2.gz GCYCOVYHBWJXKG-LJQANCHMSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267682086 1095441002 /nfs/dbraw/zinc/44/10/02/1095441002.db2.gz HIPNVXNKXAUFSC-APWZRJJASA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001267544621 1095441904 /nfs/dbraw/zinc/44/19/04/1095441904.db2.gz SAFYVVDVTVMEJD-ZWKOTPCHSA-N 2 0 344.503 2.725 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267546952 1095449958 /nfs/dbraw/zinc/44/99/58/1095449958.db2.gz GDAUUKKQTMOJOO-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267547350 1095457189 /nfs/dbraw/zinc/45/71/89/1095457189.db2.gz MBQCZWWCNUPNBT-FQEVSTJZSA-N 2 0 343.515 2.903 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001268141145 1095489847 /nfs/dbraw/zinc/48/98/47/1095489847.db2.gz KDFDOWULDPPOPB-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC001268141477 1095491777 /nfs/dbraw/zinc/49/17/77/1095491777.db2.gz LDKNDOHBTRHFBL-HKUYNNGSSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267589105 1096016840 /nfs/dbraw/zinc/01/68/40/1096016840.db2.gz LIVJALCADDSLFM-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001268187381 1096052474 /nfs/dbraw/zinc/05/24/74/1096052474.db2.gz DJKWKMOJKKWCQJ-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001268201492 1096087560 /nfs/dbraw/zinc/08/75/60/1096087560.db2.gz PGSSKVQYKORABJ-UHFFFAOYSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC[N@@H+](C)CCCC)CC2)CC1 ZINC001268205727 1096095676 /nfs/dbraw/zinc/09/56/76/1096095676.db2.gz NUPYHETZSUCVHH-UHFFFAOYSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001267596297 1096119858 /nfs/dbraw/zinc/11/98/58/1096119858.db2.gz LZXUYQJMVDSEMV-IEBWSBKVSA-N 2 0 329.488 2.646 10 30 EFEERP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001267602033 1096209974 /nfs/dbraw/zinc/20/99/74/1096209974.db2.gz YLZKWHINCBKJDC-HXUWFJFHSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001268273514 1096231207 /nfs/dbraw/zinc/23/12/07/1096231207.db2.gz YQYXTHWVXZIDOQ-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268289821 1096270169 /nfs/dbraw/zinc/27/01/69/1096270169.db2.gz RLYYKRLXQYTQFN-RTBURBONSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268289815 1096270265 /nfs/dbraw/zinc/27/02/65/1096270265.db2.gz RLYYKRLXQYTQFN-MOPGFXCFSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481675430 1096287973 /nfs/dbraw/zinc/28/79/73/1096287973.db2.gz NQUGXFIIKYFPJE-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481703891 1096339890 /nfs/dbraw/zinc/33/98/90/1096339890.db2.gz OHTZAMASTCPXSN-GDBMZVCRSA-N 2 0 326.444 2.802 10 30 EFEERP C#CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001481931261 1096950433 /nfs/dbraw/zinc/95/04/33/1096950433.db2.gz MPYXYNKMVJUYKL-LAUBAEHRSA-N 2 0 345.531 2.539 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001482007728 1097085253 /nfs/dbraw/zinc/08/52/53/1097085253.db2.gz DNKUDUDTNWRARE-UHFFFAOYSA-N 2 0 341.927 2.833 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001268674040 1097527738 /nfs/dbraw/zinc/52/77/38/1097527738.db2.gz NJBHZODMRRBDIR-QGZVFWFLSA-N 2 0 347.547 2.642 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCCCC1 ZINC001268734022 1097582704 /nfs/dbraw/zinc/58/27/04/1097582704.db2.gz QFROBXQTZDDSMR-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268772235 1097619443 /nfs/dbraw/zinc/61/94/43/1097619443.db2.gz XCDYTZYDANREDB-PMACEKPBSA-N 2 0 341.499 2.650 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269251988 1097987239 /nfs/dbraw/zinc/98/72/39/1097987239.db2.gz VBXOIPZMYIXDED-KRWDZBQOSA-N 2 0 326.444 2.755 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269555755 1098244277 /nfs/dbraw/zinc/24/42/77/1098244277.db2.gz HELBXMFPBCHZIS-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001269575178 1098261921 /nfs/dbraw/zinc/26/19/21/1098261921.db2.gz QVJZYMMHKAPLDC-ALOPSCKCSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269623251 1098297842 /nfs/dbraw/zinc/29/78/42/1098297842.db2.gz STMWTUZHJFBHAK-IBGZPJMESA-N 2 0 326.444 2.707 10 30 EFEERP C=C(C)CC[NH+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269632700 1098309618 /nfs/dbraw/zinc/30/96/18/1098309618.db2.gz KLJJCHCPSOYSGB-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001269700461 1098379320 /nfs/dbraw/zinc/37/93/20/1098379320.db2.gz YESUHHGDKCSAGZ-UYAOXDASSA-N 2 0 345.531 2.751 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001269708704 1098386362 /nfs/dbraw/zinc/38/63/62/1098386362.db2.gz IAUUDBMBOJVXOG-GUDVDZBRSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001269713708 1098390516 /nfs/dbraw/zinc/39/05/16/1098390516.db2.gz HBHOKRGTNUJJPM-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269729176 1098404326 /nfs/dbraw/zinc/40/43/26/1098404326.db2.gz BGKFWVWDYCDYEG-MJGOQNOKSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001269766582 1098432094 /nfs/dbraw/zinc/43/20/94/1098432094.db2.gz WZFLKGWQRIITJG-MRXNPFEDSA-N 2 0 343.943 2.935 10 30 EFEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001269865377 1098490371 /nfs/dbraw/zinc/49/03/71/1098490371.db2.gz ZRZDAPAMPMHOSQ-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001269877236 1098495049 /nfs/dbraw/zinc/49/50/49/1098495049.db2.gz GEYBUWOCEBTUGJ-MOPGFXCFSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001269950324 1098544206 /nfs/dbraw/zinc/54/42/06/1098544206.db2.gz AUKFXUINMOTZSB-HXUWFJFHSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001269960031 1098548575 /nfs/dbraw/zinc/54/85/75/1098548575.db2.gz PZANARKHBMKKCZ-ZWKOTPCHSA-N 2 0 333.520 2.633 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001269988982 1098571752 /nfs/dbraw/zinc/57/17/52/1098571752.db2.gz KNRGDSMHYPYSOC-IRXDYDNUSA-N 2 0 345.487 2.727 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001267916073 1098630180 /nfs/dbraw/zinc/63/01/80/1098630180.db2.gz OEHGVMHPZOWZCI-RBUKOAKNSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267917414 1098637243 /nfs/dbraw/zinc/63/72/43/1098637243.db2.gz FWEDFYUFSGZWMJ-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001270083012 1098672859 /nfs/dbraw/zinc/67/28/59/1098672859.db2.gz JYFXEYACIZVLIK-MRXNPFEDSA-N 2 0 326.444 2.803 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001270157440 1098748824 /nfs/dbraw/zinc/74/88/24/1098748824.db2.gz AWOPCGSDBMLENU-IBGZPJMESA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267958169 1098897721 /nfs/dbraw/zinc/89/77/21/1098897721.db2.gz UMDXRQAZCBSIMF-RTBURBONSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCCCC)CC1 ZINC001270295555 1098922701 /nfs/dbraw/zinc/92/27/01/1098922701.db2.gz BYOLRLJQJLFVSS-HXUWFJFHSA-N 2 0 347.547 2.977 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001270315049 1098948243 /nfs/dbraw/zinc/94/82/43/1098948243.db2.gz DXIVYZHORZLLCH-HXUWFJFHSA-N 2 0 345.531 2.752 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC/C=C\CCC)CC1 ZINC001270363459 1099008306 /nfs/dbraw/zinc/00/83/06/1099008306.db2.gz FDXMJAQMQQQKJO-SREVYHEPSA-N 2 0 345.531 2.755 10 30 EFEERP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCCCCC)CC2 ZINC001267973974 1099031431 /nfs/dbraw/zinc/03/14/31/1099031431.db2.gz HXFZOOLYLHHIET-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001270411827 1099068928 /nfs/dbraw/zinc/06/89/28/1099068928.db2.gz CQKNBJXPVNNHBH-MOPGFXCFSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001270439877 1099092250 /nfs/dbraw/zinc/09/22/50/1099092250.db2.gz BZAFEFUXJSCVMM-MJGOQNOKSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCCCC=C)C2)CC1 ZINC001270660240 1099388722 /nfs/dbraw/zinc/38/87/22/1099388722.db2.gz ZERPBZRGGUMPQA-NRFANRHFSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737901 1099509245 /nfs/dbraw/zinc/50/92/45/1099509245.db2.gz WBGFBXRMESZWFK-QUCCMNQESA-N 2 0 333.520 2.798 10 30 EFEERP 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341.499 2.646 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271663790 1102225590 /nfs/dbraw/zinc/22/55/90/1102225590.db2.gz AZEXAOKUXYQKBK-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001656889425 1102241440 /nfs/dbraw/zinc/24/14/40/1102241440.db2.gz JBGRUNVVMUGJPW-SJORKVTESA-N 2 0 327.488 2.603 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001657105766 1102335098 /nfs/dbraw/zinc/33/50/98/1102335098.db2.gz CDAGSQMTVSODRV-RBUKOAKNSA-N 2 0 347.547 2.737 10 30 EFEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482496103 1102338402 /nfs/dbraw/zinc/33/84/02/1102338402.db2.gz VJNNIHILUZTCPP-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482496106 1102338459 /nfs/dbraw/zinc/33/84/59/1102338459.db2.gz VJNNIHILUZTCPP-VQIMIIECSA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266519980 1102490578 /nfs/dbraw/zinc/49/05/78/1102490578.db2.gz COMKCLVOCOXKGB-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001271736076 1102537511 /nfs/dbraw/zinc/53/75/11/1102537511.db2.gz DIMZWOOXCCGTQI-GGPHIMKMSA-N 2 0 345.531 2.632 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC001266877479 1102569050 /nfs/dbraw/zinc/56/90/50/1102569050.db2.gz FBFBRFATKRGISW-FQEVSTJZSA-N 2 0 343.515 2.708 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001266879045 1102573750 /nfs/dbraw/zinc/57/37/50/1102573750.db2.gz NUSKSMRRGKUXBM-IBGZPJMESA-N 2 0 329.488 2.561 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001271789544 1102684872 /nfs/dbraw/zinc/68/48/72/1102684872.db2.gz KSLXYRPADFNCQB-NCXUSEDFSA-N 2 0 335.536 2.805 10 30 EFEERP 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1103311882 /nfs/dbraw/zinc/31/18/82/1103311882.db2.gz DCJRLYBUXBPFDI-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001661722981 1103386495 /nfs/dbraw/zinc/38/64/95/1103386495.db2.gz FRJZRKSDDOZDSX-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001661788584 1103426999 /nfs/dbraw/zinc/42/69/99/1103426999.db2.gz PNHVJSRZDWKBPH-HNNXBMFYSA-N 2 0 335.517 2.828 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001661792956 1103429388 /nfs/dbraw/zinc/42/93/88/1103429388.db2.gz IZOGKIYMEFOJQI-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001661842425 1103459230 /nfs/dbraw/zinc/45/92/30/1103459230.db2.gz OLGFKQADJNHZHK-ZMBJWTFHSA-N 2 0 345.531 2.516 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001661943735 1103514939 /nfs/dbraw/zinc/51/49/39/1103514939.db2.gz SARUWSBXPVXWEK-VQTJNVASSA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001483433115 1103701369 /nfs/dbraw/zinc/70/13/69/1103701369.db2.gz DYXCQMQJVVCIJV-NVXWUHKLSA-N 2 0 347.528 2.711 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001483442286 1103725441 /nfs/dbraw/zinc/72/54/41/1103725441.db2.gz LPMIHJMMLOLXJR-OALUTQOASA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001662767444 1103793899 /nfs/dbraw/zinc/79/38/99/1103793899.db2.gz PKNUCXWMACBVFF-QZTJIDSGSA-N 2 0 333.520 2.846 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001662796564 1103817333 /nfs/dbraw/zinc/81/73/33/1103817333.db2.gz BHBFGQHYOPUPHK-MOPGFXCFSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001662863320 1103871330 /nfs/dbraw/zinc/87/13/30/1103871330.db2.gz UTIJSXQAUOMPBH-HKUYNNGSSA-N 2 0 335.536 2.996 10 30 EFEERP 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1104463624 /nfs/dbraw/zinc/46/36/24/1104463624.db2.gz VJOOZIGAVYWBTG-UYAOXDASSA-N 2 0 341.499 2.721 10 30 EFEERP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001664673567 1104494509 /nfs/dbraw/zinc/49/45/09/1104494509.db2.gz NATGYHZDTRGEKC-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001664679040 1104499897 /nfs/dbraw/zinc/49/98/97/1104499897.db2.gz SMRYLYQWRYGTDE-APWZRJJASA-N 2 0 339.499 2.698 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482612049 1104528635 /nfs/dbraw/zinc/52/86/35/1104528635.db2.gz NYMKELAQMOETHT-INIZCTEOSA-N 2 0 341.459 2.626 10 30 EFEERP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001664736625 1104529729 /nfs/dbraw/zinc/52/97/29/1104529729.db2.gz ZTBJUYVIODMIIS-ICSRJNTNSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001664817227 1104563246 /nfs/dbraw/zinc/56/32/46/1104563246.db2.gz 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ZINC001667307327 1105114003 /nfs/dbraw/zinc/11/40/03/1105114003.db2.gz VIHFFSVZCWYAOT-HXUWFJFHSA-N 2 0 341.499 2.746 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001667331578 1105119492 /nfs/dbraw/zinc/11/94/92/1105119492.db2.gz AJPRKBICJZWNRT-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001667332809 1105120966 /nfs/dbraw/zinc/12/09/66/1105120966.db2.gz QPLSHBIIYXTASP-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667393065 1105137592 /nfs/dbraw/zinc/13/75/92/1105137592.db2.gz HKLKYDNETSXTNE-QFBILLFUSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001667426788 1105146140 /nfs/dbraw/zinc/14/61/40/1105146140.db2.gz YURUKIAUUFHORQ-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001667739549 1105193773 /nfs/dbraw/zinc/19/37/73/1105193773.db2.gz ZXKFSBOIQGYQRL-QZTJIDSGSA-N 2 0 335.536 2.949 10 30 EFEERP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1Cl)[NH+](C)C ZINC001668107696 1105237112 /nfs/dbraw/zinc/23/71/12/1105237112.db2.gz WAKXCQBBMIOYKT-CRAIPNDOSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001669987209 1105565413 /nfs/dbraw/zinc/56/54/13/1105565413.db2.gz YDWXVQQWQAEFDJ-WOJBJXKFSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001671429053 1105636102 /nfs/dbraw/zinc/63/61/02/1105636102.db2.gz VQUPNOQJTCIBTJ-LJQANCHMSA-N 2 0 339.499 2.746 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCC=C)CC1 ZINC001671481298 1105642527 /nfs/dbraw/zinc/64/25/27/1105642527.db2.gz FRWAEPCNGUJQOP-UYAOXDASSA-N 2 0 343.515 2.506 10 30 EFEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001671491901 1105644796 /nfs/dbraw/zinc/64/47/96/1105644796.db2.gz KJLOZKKEAAICGJ-SFHVURJKSA-N 2 0 341.499 2.626 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001671513281 1105649876 /nfs/dbraw/zinc/64/98/76/1105649876.db2.gz WUJDXUNYTDSRQC-NHCUHLMSSA-N 2 0 349.478 2.704 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC=C(C)C)C2CCCC2)CC1 ZINC001671570308 1105661096 /nfs/dbraw/zinc/66/10/96/1105661096.db2.gz TXGLUXNQOCHDIY-FQEVSTJZSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001671598528 1105667017 /nfs/dbraw/zinc/66/70/17/1105667017.db2.gz MURZCQXHDCUWJW-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001671775765 1105700891 /nfs/dbraw/zinc/70/08/91/1105700891.db2.gz WVTOHHSCMAGWJJ-UYAOXDASSA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001672170900 1105765510 /nfs/dbraw/zinc/76/55/10/1105765510.db2.gz KRZIJAGJNQLAGY-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001672352688 1105810271 /nfs/dbraw/zinc/81/02/71/1105810271.db2.gz FODBUMNUKGGYEQ-BCDXTJNWSA-N 2 0 333.520 2.796 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001672376429 1105816935 /nfs/dbraw/zinc/81/69/35/1105816935.db2.gz BVFNMNIUXYPRRR-LWYYNNOASA-N 2 0 345.531 2.539 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001672381004 1105817984 /nfs/dbraw/zinc/81/79/84/1105817984.db2.gz IUMLLBHCDQRFAM-BJLQDIEVSA-N 2 0 333.520 2.561 10 30 EFEERP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001672539068 1105865531 /nfs/dbraw/zinc/86/55/31/1105865531.db2.gz WHRRFMCPIBCZHQ-OALUTQOASA-N 2 0 333.520 2.587 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001672965851 1105950604 /nfs/dbraw/zinc/95/06/04/1105950604.db2.gz PXMOTCHKNWTBQH-LNLFQRSKSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH+]1CCc2c(CNC(=O)C[N@@H+](C)CCC)cccc2C1 ZINC001673079597 1105970828 /nfs/dbraw/zinc/97/08/28/1105970828.db2.gz HAYDKWMHQJXAQM-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001673136145 1105977088 /nfs/dbraw/zinc/97/70/88/1105977088.db2.gz MCNCSFHJRZIZBG-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP CC#CC[NH+]1CCC(CCCCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001673630002 1106058916 /nfs/dbraw/zinc/05/89/16/1106058916.db2.gz SZKMGVWYKPLLRR-LJQANCHMSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001673650684 1106066794 /nfs/dbraw/zinc/06/67/94/1106066794.db2.gz MJDOEYROZDKZBI-ICSRJNTNSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001673651158 1106068686 /nfs/dbraw/zinc/06/86/86/1106068686.db2.gz RBKKHSHZAOSQMO-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001673893185 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2 0 343.515 2.912 10 30 EFEERP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001674429619 1106187704 /nfs/dbraw/zinc/18/77/04/1106187704.db2.gz OPKBEOGJHJDXQA-HSALFYBXSA-N 2 0 341.499 2.502 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001674503948 1106208175 /nfs/dbraw/zinc/20/81/75/1106208175.db2.gz BSCNKEVXGJPZBY-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP CCCCCCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001675481413 1106370301 /nfs/dbraw/zinc/37/03/01/1106370301.db2.gz YXIQRSCJHUBBIU-KRWDZBQOSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001675486653 1106370856 /nfs/dbraw/zinc/37/08/56/1106370856.db2.gz MTBWOILRFITDNX-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001675486655 1106372344 /nfs/dbraw/zinc/37/23/44/1106372344.db2.gz MTBWOILRFITDNX-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001675526653 1106379551 /nfs/dbraw/zinc/37/95/51/1106379551.db2.gz DFENJGXIRMSEJY-LDLYASANSA-N 2 0 338.455 2.517 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001675636963 1106401164 /nfs/dbraw/zinc/40/11/64/1106401164.db2.gz YBPGUHFKUOYGGO-BZSNNMDCSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001675636965 1106401791 /nfs/dbraw/zinc/40/17/91/1106401791.db2.gz YBPGUHFKUOYGGO-OKZBNKHCSA-N 2 0 333.520 2.654 10 30 EFEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001675899941 1106442274 /nfs/dbraw/zinc/44/22/74/1106442274.db2.gz YTWNLGBZDLNBIL-QZTJIDSGSA-N 2 0 333.520 2.539 10 30 EFEERP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001675958871 1106455148 /nfs/dbraw/zinc/45/51/48/1106455148.db2.gz NGNTVVZBEOEMLD-MJGOQNOKSA-N 2 0 333.520 2.681 10 30 EFEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001675958869 1106455196 /nfs/dbraw/zinc/45/51/96/1106455196.db2.gz NGNTVVZBEOEMLD-HKUYNNGSSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001676082974 1106482188 /nfs/dbraw/zinc/48/21/88/1106482188.db2.gz ZHETVKPFMHGQST-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[NH2+]CCC[C@H](NC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001676145095 1106492437 /nfs/dbraw/zinc/49/24/37/1106492437.db2.gz UMURPDHOMLYYNI-IBGZPJMESA-N 2 0 341.499 2.721 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001676239115 1106504036 /nfs/dbraw/zinc/50/40/36/1106504036.db2.gz PQYDIHTVCFFZJN-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001676845910 1106602733 /nfs/dbraw/zinc/60/27/33/1106602733.db2.gz NKLHBFWFCYRCBN-GVDBMIGSSA-N 2 0 341.927 2.688 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001676879081 1106614279 /nfs/dbraw/zinc/61/42/79/1106614279.db2.gz KNHGPVMOVSFGEV-IEBWSBKVSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001676965024 1106637470 /nfs/dbraw/zinc/63/74/70/1106637470.db2.gz JJPIYHSPQHHONE-MJGOQNOKSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001677028047 1106652101 /nfs/dbraw/zinc/65/21/01/1106652101.db2.gz FZASUVRSVGOXFC-FUHWJXTLSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC001677286364 1106691372 /nfs/dbraw/zinc/69/13/72/1106691372.db2.gz GKHKXNHTCSNBLV-CEXWTWQISA-N 2 0 343.515 2.638 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@H](C)CCC=C)C(C)(C)C)CC1 ZINC001677306651 1106694652 /nfs/dbraw/zinc/69/46/52/1106694652.db2.gz MXQRMVHCDQUZHF-MJGOQNOKSA-N 2 0 347.547 2.807 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001677307266 1106695550 /nfs/dbraw/zinc/69/55/50/1106695550.db2.gz ZKSZFZPOJAYFHX-ZWKOTPCHSA-N 2 0 335.536 2.641 10 30 EFEERP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001677396654 1106713564 /nfs/dbraw/zinc/71/35/64/1106713564.db2.gz PKIRZMFSRGLLRO-LRYGQEGESA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c(F)c1 ZINC001677643456 1106804836 /nfs/dbraw/zinc/80/48/36/1106804836.db2.gz RVCJUFZRMWKGLT-SFHVURJKSA-N 2 0 335.467 2.694 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(F)c1 ZINC001677648216 1106811295 /nfs/dbraw/zinc/81/12/95/1106811295.db2.gz ILNOSWYYBQEZCF-HZPDHXFCSA-N 2 0 347.478 2.980 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2n1 ZINC001272309445 1107737138 /nfs/dbraw/zinc/73/71/38/1107737138.db2.gz FRFBUGBGWZZFDY-WMZOPIPTSA-N 2 0 340.471 2.636 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001272214779 1107891867 /nfs/dbraw/zinc/89/18/67/1107891867.db2.gz CJSMSLWHTKRRDI-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001272341704 1107971401 /nfs/dbraw/zinc/97/14/01/1107971401.db2.gz CODGJNODKKKBCT-FUHWJXTLSA-N 2 0 345.487 2.633 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001272439419 1108316680 /nfs/dbraw/zinc/31/66/80/1108316680.db2.gz HKLGTDFQDGSFML-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001272439421 1108317414 /nfs/dbraw/zinc/31/74/14/1108317414.db2.gz HKLGTDFQDGSFML-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001483802325 1112465870 /nfs/dbraw/zinc/46/58/70/1112465870.db2.gz PJSLANFJLIMTBP-WOJBJXKFSA-N 2 0 345.531 2.589 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001483816516 1112485246 /nfs/dbraw/zinc/48/52/46/1112485246.db2.gz DIUOTUGSKMSQFB-UXHICEINSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483834005 1112494955 /nfs/dbraw/zinc/49/49/55/1112494955.db2.gz UBJGEWHNMNLLLT-RXVVDRJESA-N 2 0 347.547 2.997 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001483847030 1112508699 /nfs/dbraw/zinc/50/86/99/1112508699.db2.gz IGSYNHXAGQXSAU-ICSRJNTNSA-N 2 0 335.536 2.833 10 30 EFEERP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001483840745 1112516721 /nfs/dbraw/zinc/51/67/21/1112516721.db2.gz CWGGZOUGVXNWBX-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483929586 1112572229 /nfs/dbraw/zinc/57/22/29/1112572229.db2.gz MPWXGQVAYCVLAM-OALUTQOASA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)c1ccc2ccccc2c1 ZINC001483991701 1112625973 /nfs/dbraw/zinc/62/59/73/1112625973.db2.gz DBCPACGQRDODCH-PMACEKPBSA-N 2 0 337.467 2.560 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC(=C)C)CC1 ZINC001483986733 1112631906 /nfs/dbraw/zinc/63/19/06/1112631906.db2.gz QKHABMAZASWCIE-IBGZPJMESA-N 2 0 345.531 2.611 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001483992949 1112641969 /nfs/dbraw/zinc/64/19/69/1112641969.db2.gz RZLXGTIDFWNFHC-SFTDATJTSA-N 2 0 349.478 2.562 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2(C)CC[NH+](CCCC=C)CC2)CC1 ZINC001484147145 1112825314 /nfs/dbraw/zinc/82/53/14/1112825314.db2.gz NHLAJOCJQDXBCN-UHFFFAOYSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001484175001 1112889848 /nfs/dbraw/zinc/88/98/48/1112889848.db2.gz NYMMGUYVMYXTPI-ICSRJNTNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484175937 1112890739 /nfs/dbraw/zinc/89/07/39/1112890739.db2.gz QNUHHDJCIDYJIZ-UYAOXDASSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001484195305 1112910007 /nfs/dbraw/zinc/91/00/07/1112910007.db2.gz KFQHOEHQPBLSGR-HZPDHXFCSA-N 2 0 343.462 2.510 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001484558485 1113012153 /nfs/dbraw/zinc/01/21/53/1113012153.db2.gz HHXFOPGULYGEGI-PXNSSMCTSA-N 2 0 341.499 2.850 10 30 EFEERP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001484559194 1113012724 /nfs/dbraw/zinc/01/27/24/1113012724.db2.gz OCJPBBFIZXOIER-AYOQOUSVSA-N 2 0 329.488 2.870 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001484561664 1113015022 /nfs/dbraw/zinc/01/50/22/1113015022.db2.gz PHGYFDJESMHHIV-QGZVFWFLSA-N 2 0 339.483 2.605 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001484562791 1113024230 /nfs/dbraw/zinc/02/42/30/1113024230.db2.gz GNVXPEZFDPMYNH-GOSISDBHSA-N 2 0 341.499 2.853 10 30 EFEERP C=C(C)CC[N@@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001484612022 1113052870 /nfs/dbraw/zinc/05/28/70/1113052870.db2.gz CPAHUUWNXTYHGX-UHFFFAOYSA-N 2 0 341.499 2.723 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001484817188 1117750591 /nfs/dbraw/zinc/75/05/91/1117750591.db2.gz ZDLMTCGBSLFZAT-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001484824112 1117760897 /nfs/dbraw/zinc/76/08/97/1117760897.db2.gz OANZOFOFTJTSGT-HXUWFJFHSA-N 2 0 343.515 2.838 10 30 EFEERP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001484875780 1117790674 /nfs/dbraw/zinc/79/06/74/1117790674.db2.gz RFNPEXLFNGTHJO-KRWDZBQOSA-N 2 0 327.472 2.536 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001484900194 1117804437 /nfs/dbraw/zinc/80/44/37/1117804437.db2.gz NVPPKVWBGUEXOX-FXAWDEMLSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001484923017 1117839101 /nfs/dbraw/zinc/83/91/01/1117839101.db2.gz ARHVESMIBYBJGI-UHFFFAOYSA-N 2 0 343.515 2.708 10 30 EFEERP C=C(C)CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001485006187 1117937189 /nfs/dbraw/zinc/93/71/89/1117937189.db2.gz MKCVFCYAIXZOEA-HXUWFJFHSA-N 2 0 341.499 2.764 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)C[C@@H](C)CC)CC1 ZINC001485030952 1117956127 /nfs/dbraw/zinc/95/61/27/1117956127.db2.gz FBSLAHXQTHLEOH-ICSRJNTNSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001485084680 1118024124 /nfs/dbraw/zinc/02/41/24/1118024124.db2.gz PQHSIDWEVPSLAV-IBGZPJMESA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001485110250 1118057058 /nfs/dbraw/zinc/05/70/58/1118057058.db2.gz BABJUBNAZDWTCL-CTWPCTMYSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001485238863 1118170347 /nfs/dbraw/zinc/17/03/47/1118170347.db2.gz QKYHINHHXAXAJF-UHFFFAOYSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485240619 1118171949 /nfs/dbraw/zinc/17/19/49/1118171949.db2.gz JKXUBARXJJASSM-AOCRQIFASA-N 2 0 333.520 2.796 10 30 EFEERP C#CCC[NH2+]C1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001485243021 1118174818 /nfs/dbraw/zinc/17/48/18/1118174818.db2.gz CNWVCFODNLLTMW-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485258529 1118189825 /nfs/dbraw/zinc/18/98/25/1118189825.db2.gz NCMCODRXJOECSG-IBGZPJMESA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001272699554 1118332312 /nfs/dbraw/zinc/33/23/12/1118332312.db2.gz BPYPTZMGTAUIDO-QKLQHJQFSA-N 2 0 341.499 2.707 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001485439679 1118351763 /nfs/dbraw/zinc/35/17/63/1118351763.db2.gz JCIQYSMLAYVODZ-CVEARBPZSA-N 2 0 329.916 2.543 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001485456923 1118370961 /nfs/dbraw/zinc/37/09/61/1118370961.db2.gz CHFYYKHTAJJVCJ-SFHVURJKSA-N 2 0 333.520 2.683 10 30 EFEERP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001485467054 1118377007 /nfs/dbraw/zinc/37/70/07/1118377007.db2.gz YXCFDEQRGPGYKO-PKOBYXMFSA-N 2 0 333.520 2.681 10 30 EFEERP C#CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCCC1 ZINC001485458674 1118381569 /nfs/dbraw/zinc/38/15/69/1118381569.db2.gz DJXPYNPVZUQWSV-UHFFFAOYSA-N 2 0 345.487 2.777 10 30 EFEERP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC001485669635 1118518277 /nfs/dbraw/zinc/51/82/77/1118518277.db2.gz ZRUGVAXKXZQUSG-OYRHEFFESA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001485689902 1118521640 /nfs/dbraw/zinc/52/16/40/1118521640.db2.gz YCNFWHYXHZSRDK-KZNAEPCWSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001485768493 1118581267 /nfs/dbraw/zinc/58/12/67/1118581267.db2.gz QFSIWNIKMPVYDG-UHFFFAOYSA-N 2 0 341.499 2.667 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001485791956 1118596659 /nfs/dbraw/zinc/59/66/59/1118596659.db2.gz WADBODKFFSMZHR-MRXNPFEDSA-N 2 0 329.916 2.591 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000941238223 1118695668 /nfs/dbraw/zinc/69/56/68/1118695668.db2.gz VGBSYESDFWEEGF-LJQANCHMSA-N 2 0 345.531 2.515 10 30 EFEERP C[N@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000262478919 240356148 /nfs/dbraw/zinc/35/61/48/240356148.db2.gz HRNFRZRVFZGGCT-KRWDZBQOSA-N 2 0 330.476 2.679 10 30 EFEERP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246077498 240264221 /nfs/dbraw/zinc/26/42/21/240264221.db2.gz CWEOLDUYOLIAKZ-QZTJIDSGSA-N 2 0 342.487 2.713 10 30 EFEERP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N(C)Cc1csc(C)n1 ZINC000261843947 240326221 /nfs/dbraw/zinc/32/62/21/240326221.db2.gz WQDBOFHOJPUINK-UHFFFAOYSA-N 2 0 337.537 2.723 10 30 EFEERP COCC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000423413081 246630743 /nfs/dbraw/zinc/63/07/43/246630743.db2.gz XYUADMFFJJIRJA-UHFFFAOYSA-N 2 0 341.499 2.996 10 30 EFEERP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261675865 533477339 /nfs/dbraw/zinc/47/73/39/533477339.db2.gz CNTRYIXGYPOHPP-INIZCTEOSA-N 2 0 338.540 2.716 10 30 EFEERP CCN1CC[NH+](C[C@@H](C)CNC(=[NH+]C(C)C)c2cccs2)CC1 ZINC000071843656 472581139 /nfs/dbraw/zinc/58/11/39/472581139.db2.gz BLNNHWFEPWLRFH-INIZCTEOSA-N 2 0 336.549 2.766 10 30 EFEERP COc1ccccc1NC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000072272527 472643190 /nfs/dbraw/zinc/64/31/90/472643190.db2.gz ZYBQUFZCROKCMN-UHFFFAOYSA-N 2 0 342.443 2.562 10 30 EFEERP COc1ccccc1CNC(=[NH2+])NCCC[NH+]1Cc2ccccc2C1 ZINC000072272405 472643899 /nfs/dbraw/zinc/64/38/99/472643899.db2.gz MANZDSPGXMNHFE-UHFFFAOYSA-N 2 0 338.455 2.505 10 30 EFEERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123312957 473126112 /nfs/dbraw/zinc/12/61/12/473126112.db2.gz IWHYHAZNWBBROF-MRXNPFEDSA-N 2 0 325.460 2.950 10 30 EFEERP C[C@H]1C[C@H](C)C[NH+](CCCNCc2cnc3ccc(C#N)cn23)C1 ZINC000123318001 473127010 /nfs/dbraw/zinc/12/70/10/473127010.db2.gz HPRWNDVRQRAGPE-HOTGVXAUSA-N 2 0 325.460 2.664 10 30 EFEERP Cc1cc(C[C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000182032720 474084545 /nfs/dbraw/zinc/08/45/45/474084545.db2.gz AVOCHIUWVUERIE-OAHLLOKOSA-N 2 0 337.471 2.775 10 30 EFEERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000247246055 474097720 /nfs/dbraw/zinc/09/77/20/474097720.db2.gz UEAYLVMWUDOZOI-BLLLJJGKSA-N 2 0 348.516 2.837 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000245432884 474585339 /nfs/dbraw/zinc/58/53/39/474585339.db2.gz OVSKANFWJQHHFB-RDJZCZTQSA-N 2 0 331.460 2.608 10 30 EFEERP COc1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)ccc1C#N ZINC000353243814 475798667 /nfs/dbraw/zinc/79/86/67/475798667.db2.gz SOFVJOKPZOPJFR-UHFFFAOYSA-N 2 0 333.395 2.746 10 30 EFEERP C=CCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000349035425 475898406 /nfs/dbraw/zinc/89/84/06/475898406.db2.gz JFZULZYWZOAUOG-UHFFFAOYSA-N 2 0 331.504 2.709 10 30 EFEERP CC1(C)C[C@H]([NH2+]CC#CC[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000472455646 478015137 /nfs/dbraw/zinc/01/51/37/478015137.db2.gz LMKSTXRWIUDELE-HOTGVXAUSA-N 2 0 336.520 2.861 10 30 EFEERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439087 478389657 /nfs/dbraw/zinc/38/96/57/478389657.db2.gz SGNYBJUYBSHFSN-KURKYZTESA-N 2 0 334.508 2.511 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000594440824 478389812 /nfs/dbraw/zinc/38/98/12/478389812.db2.gz CNNUDKNVGGYLJT-ZDUSSCGKSA-N 2 0 328.338 2.514 10 30 EFEERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439222 478389878 /nfs/dbraw/zinc/38/98/78/478389878.db2.gz UEGPIILUIDEIJD-VQIMIIECSA-N 2 0 342.487 2.739 10 30 EFEERP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497280 478411315 /nfs/dbraw/zinc/41/13/15/478411315.db2.gz GCUPISFIZZKNIJ-UHFFFAOYSA-N 2 0 328.504 2.603 10 30 EFEERP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594498890 478414662 /nfs/dbraw/zinc/41/46/62/478414662.db2.gz CLSGOOSUVOFQHW-UHFFFAOYSA-N 2 0 342.531 2.993 10 30 EFEERP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OCCCC#N ZINC000594520145 478424857 /nfs/dbraw/zinc/42/48/57/478424857.db2.gz HXJJYUGAWUABLT-CALCHBBNSA-N 2 0 331.460 2.808 10 30 EFEERP N#Cc1ccc(C2([NH2+]Cc3cccc4c3CC[NH2+]C4)CCOCC2)cc1 ZINC000600741451 478499873 /nfs/dbraw/zinc/49/98/73/478499873.db2.gz OBRQMNXOUZCQGY-UHFFFAOYSA-N 2 0 347.462 2.999 10 30 EFEERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000600751067 478503941 /nfs/dbraw/zinc/50/39/41/478503941.db2.gz OZAANVDSKIURRY-IBGZPJMESA-N 2 0 335.451 2.862 10 30 EFEERP N#CC1(c2ccc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000594928489 478591290 /nfs/dbraw/zinc/59/12/90/478591290.db2.gz ZKWUKIKLCKDEAL-IBGZPJMESA-N 2 0 327.472 2.568 10 30 EFEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594964975 478608012 /nfs/dbraw/zinc/60/80/12/478608012.db2.gz NFEYEKFQPBBRSP-KRWDZBQOSA-N 2 0 330.520 2.849 10 30 EFEERP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000594996748 478621974 /nfs/dbraw/zinc/62/19/74/478621974.db2.gz YZHYMMVRVIHGHQ-SFHVURJKSA-N 2 0 340.496 2.526 10 30 EFEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000595062671 478647045 /nfs/dbraw/zinc/64/70/45/478647045.db2.gz NUDURESAQWUNLZ-JXFKEZNVSA-N 2 0 328.504 2.797 10 30 EFEERP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000595066864 478649433 /nfs/dbraw/zinc/64/94/33/478649433.db2.gz FXCHJHUOGIHWGG-IRLDBZIGSA-N 2 0 347.462 2.902 10 30 EFEERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528365844 478737030 /nfs/dbraw/zinc/73/70/30/478737030.db2.gz DCIUZMIQYIJSJA-HXUWFJFHSA-N 2 0 341.499 2.885 10 30 EFEERP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1C(C)(C)C#N)CCO2 ZINC000592183832 478816910 /nfs/dbraw/zinc/81/69/10/478816910.db2.gz WVXBVTCLEZZBIV-UHFFFAOYSA-N 2 0 327.472 2.784 10 30 EFEERP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000565045342 478896177 /nfs/dbraw/zinc/89/61/77/478896177.db2.gz YNRKTRSWFKKJKU-DYVFJYSZSA-N 2 0 325.372 2.746 10 30 EFEERP Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1C#N ZINC000599275000 479231719 /nfs/dbraw/zinc/23/17/19/479231719.db2.gz JNSTYVXMDVAJEP-UHFFFAOYSA-N 2 0 327.472 2.801 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662391674 481780450 /nfs/dbraw/zinc/78/04/50/481780450.db2.gz FDYZBPLVJRIQJX-ICSRJNTNSA-N 2 0 329.488 2.884 10 30 EFEERP C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000651693672 481908338 /nfs/dbraw/zinc/90/83/38/481908338.db2.gz ZLCDXLMYBLHEEU-MOPGFXCFSA-N 2 0 328.504 2.928 10 30 EFEERP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000651728122 481922732 /nfs/dbraw/zinc/92/27/32/481922732.db2.gz LLKVRJFRUNGPTI-WMZOPIPTSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666877 481923570 /nfs/dbraw/zinc/92/35/70/481923570.db2.gz WXKXTMFYXFVRPD-UYAOXDASSA-N 2 0 327.472 2.638 10 30 EFEERP C=CC[C@@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662672824 481925949 /nfs/dbraw/zinc/92/59/49/481925949.db2.gz FEIUJAXBNJPPAY-NRFANRHFSA-N 2 0 341.499 2.508 10 30 EFEERP C=CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCC[NH2+]1 ZINC000662670641 481926428 /nfs/dbraw/zinc/92/64/28/481926428.db2.gz YDRMTFPIORHPHZ-HXUWFJFHSA-N 2 0 327.472 2.597 10 30 EFEERP C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000662674076 481927867 /nfs/dbraw/zinc/92/78/67/481927867.db2.gz YIXKHKHJXNJIHD-FQEVSTJZSA-N 2 0 345.462 2.605 10 30 EFEERP C=CC[C@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000662674077 481927945 /nfs/dbraw/zinc/92/79/45/481927945.db2.gz YIXKHKHJXNJIHD-HXUWFJFHSA-N 2 0 345.462 2.605 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693791 481936736 /nfs/dbraw/zinc/93/67/36/481936736.db2.gz RAXJZNGGVDLBJY-FPOVZHCZSA-N 2 0 341.499 2.713 10 30 EFEERP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696861 481938714 /nfs/dbraw/zinc/93/87/14/481938714.db2.gz XKSMCAYUNQENLB-YVWKXTFCSA-N 2 0 327.472 2.636 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000662697897 481939756 /nfs/dbraw/zinc/93/97/56/481939756.db2.gz FOFJVNGADOVEKI-CMKODMSKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCC[NH2+]1 ZINC000662701447 481941268 /nfs/dbraw/zinc/94/12/68/481941268.db2.gz PMRSGUNITMLNEO-LJQANCHMSA-N 2 0 345.512 2.872 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662712868 481945476 /nfs/dbraw/zinc/94/54/76/481945476.db2.gz TUOOAVBJPUOAMZ-LPHOPBHVSA-N 2 0 331.460 2.539 10 30 EFEERP C=CC[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662725874 481949709 /nfs/dbraw/zinc/94/97/09/481949709.db2.gz IKZXFKZPKUJMBW-LJQANCHMSA-N 2 0 331.460 2.654 10 30 EFEERP C=CC[C@]1(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662729148 481952100 /nfs/dbraw/zinc/95/21/00/481952100.db2.gz KRSZZZLWELPHOH-PZJWPPBQSA-N 2 0 341.499 2.665 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412206 521719531 /nfs/dbraw/zinc/71/95/31/521719531.db2.gz ADPLQSUCHPUUBN-YJBOKZPZSA-N 2 0 328.460 2.549 10 30 EFEERP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171651439 526525719 /nfs/dbraw/zinc/52/57/19/526525719.db2.gz YYMAJSKAOUSMCY-KRWDZBQOSA-N 2 0 330.476 2.548 10 30 EFEERP Cn1cc(C[NH2+]CCCC[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180053749 527215900 /nfs/dbraw/zinc/21/59/00/527215900.db2.gz IYIMDKANLDRGGX-UHFFFAOYSA-N 2 0 337.471 2.924 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753940254 575363389 /nfs/dbraw/zinc/36/33/89/575363389.db2.gz SVBCWBVLQRPHQL-LZQZEXGQSA-N 2 0 339.487 2.744 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001691772984 1248647079 /nfs/dbraw/zinc/64/70/79/1248647079.db2.gz UFPYEWKRQMEVGR-RBUKOAKNSA-N 2 0 329.488 2.530 10 30 EFEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001691401432 1248740497 /nfs/dbraw/zinc/74/04/97/1248740497.db2.gz JQFBUZVAAAKRLA-IYWMVGAKSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691417532 1248760188 /nfs/dbraw/zinc/76/01/88/1248760188.db2.gz ZWGLBFDIHZLMBX-IBGZPJMESA-N 2 0 329.488 2.861 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001268120885 1249698210 /nfs/dbraw/zinc/69/82/10/1249698210.db2.gz QEJLEOPLKMIVEX-OALUTQOASA-N 2 0 333.520 2.559 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001691768659 1248017905 /nfs/dbraw/zinc/01/79/05/1248017905.db2.gz XSGNSPHQMXEDDJ-VQTJNVASSA-N 2 0 341.499 2.674 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@@H](C)c2ccccc2)CC1 ZINC001691056077 1248313699 /nfs/dbraw/zinc/31/36/99/1248313699.db2.gz LUULVBQJIZJBRP-SFHVURJKSA-N 2 0 341.499 2.531 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691075932 1248362598 /nfs/dbraw/zinc/36/25/98/1248362598.db2.gz WCSPCIDSGJQKOY-MOPGFXCFSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C/CCC)CC1 ZINC001691075530 1248362693 /nfs/dbraw/zinc/36/26/93/1248362693.db2.gz TYXPUYZHUDDRSO-DUIUGDAFSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691103378 1248414181 /nfs/dbraw/zinc/41/41/81/1248414181.db2.gz GDDRSKCOHPPECN-IYBDPMFKSA-N 2 0 326.444 2.707 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]CC(C)C)CC1 ZINC001692014304 1248504580 /nfs/dbraw/zinc/50/45/80/1248504580.db2.gz VCJHRAPOSMTGHS-QUCCMNQESA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691190268 1248518007 /nfs/dbraw/zinc/51/80/07/1248518007.db2.gz CRTCPGDYJSORJY-GOSISDBHSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001692026625 1248540754 /nfs/dbraw/zinc/54/07/54/1248540754.db2.gz SJXVZLLYCWYVON-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001691225738 1248551963 /nfs/dbraw/zinc/55/19/63/1248551963.db2.gz NEHSMPSFURXXGV-IBGZPJMESA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001691524109 1251311072 /nfs/dbraw/zinc/31/10/72/1251311072.db2.gz YSESEQHQKGAKAV-GPMSIDNRSA-N 2 0 339.499 2.650 10 30 EFEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001484096892 1252241678 /nfs/dbraw/zinc/24/16/78/1252241678.db2.gz QHKJQDKLIRWWSJ-GOSISDBHSA-N 2 0 335.517 2.828 10 30 EFEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484120584 1252294797 /nfs/dbraw/zinc/29/47/97/1252294797.db2.gz PWEOKESAVNLKLR-OAQYLSRUSA-N 2 0 347.547 2.903 10 30 EFEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484121690 1252295860 /nfs/dbraw/zinc/29/58/60/1252295860.db2.gz HCYMHHSDMFPJDS-ICSRJNTNSA-N 2 0 329.488 2.694 10 30 EFEERP CCCCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484354028 1252446850 /nfs/dbraw/zinc/44/68/50/1252446850.db2.gz VPEOOCDLGYQJGS-MSOLQXFVSA-N 2 0 335.536 2.879 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001484389358 1252513629 /nfs/dbraw/zinc/51/36/29/1252513629.db2.gz GEXNCZXOHROBLA-UJWQCDCRSA-N 2 0 333.520 2.795 10 30 EFEERP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001484401867 1252542946 /nfs/dbraw/zinc/54/29/46/1252542946.db2.gz VTBLGXDOJQWWAU-FQEVSTJZSA-N 2 0 341.499 2.503 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484413933 1252560074 /nfs/dbraw/zinc/56/00/74/1252560074.db2.gz WYJBNCSXJRFUBP-QRVBRYPASA-N 2 0 335.536 2.689 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001484414997 1252565136 /nfs/dbraw/zinc/56/51/36/1252565136.db2.gz JSXNPHAVPUGIFZ-OKYOBFRVSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001484721844 1252843215 /nfs/dbraw/zinc/84/32/15/1252843215.db2.gz ONQAMZQUHZADJG-HZPDHXFCSA-N 2 0 329.916 2.830 10 30 EFEERP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001484812497 1253020827 /nfs/dbraw/zinc/02/08/27/1253020827.db2.gz ASNMJKCCWDFBRS-KRWDZBQOSA-N 2 0 344.503 2.773 10 30 EFEERP C=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001670923566 1258702328 /nfs/dbraw/zinc/70/23/28/1258702328.db2.gz NTOTYCOGHBFJHE-QZTJIDSGSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001671038551 1259820630 /nfs/dbraw/zinc/82/06/30/1259820630.db2.gz DTIHHROTLQPARH-IEBWSBKVSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001671039570 1259844470 /nfs/dbraw/zinc/84/44/70/1259844470.db2.gz OYZFYVYZYQTYEL-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001486236230 1262832623 /nfs/dbraw/zinc/83/26/23/1262832623.db2.gz ONKFKBYZGVKBSM-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1(C)C ZINC001486236231 1262833395 /nfs/dbraw/zinc/83/33/95/1262833395.db2.gz ONKFKBYZGVKBSM-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000921858936 1262902456 /nfs/dbraw/zinc/90/24/56/1262902456.db2.gz IJHBDKKERVVEBU-PMACEKPBSA-N 2 0 327.472 2.643 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001486438242 1263122315 /nfs/dbraw/zinc/12/23/15/1263122315.db2.gz BZHZXVRFTIQVAG-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486451744 1263147064 /nfs/dbraw/zinc/14/70/64/1263147064.db2.gz BIFLCAGVFAMXRM-LSDHHAIUSA-N 2 0 349.441 2.663 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001486451741 1263147264 /nfs/dbraw/zinc/14/72/64/1263147264.db2.gz BIFLCAGVFAMXRM-CABCVRRESA-N 2 0 349.441 2.663 10 30 EFEERP N#Cc1ccccc1C[NH+]1CCC2(CC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000575316450 1269046798 /nfs/dbraw/zinc/04/67/98/1269046798.db2.gz XVFSWNMJQSTHMD-IBGZPJMESA-N 2 0 325.456 2.635 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001671059833 1270141947 /nfs/dbraw/zinc/14/19/47/1270141947.db2.gz RLJUMJZQRZBILJ-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)(C)C ZINC001411214793 1272028232 /nfs/dbraw/zinc/02/82/32/1272028232.db2.gz VJOPLMUTVHUHPK-GJZGRUSLSA-N 2 0 329.916 2.732 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001135832232 1288457313 /nfs/dbraw/zinc/45/73/13/1288457313.db2.gz JBAQILOBVFYWPG-KRWDZBQOSA-N 2 0 335.879 2.711 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903458704 1312712638 /nfs/dbraw/zinc/71/26/38/1312712638.db2.gz HOJQYCLAOAOXKF-UXHICEINSA-N 2 0 327.472 2.893 10 30 EFEERP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000903459483 1312713633 /nfs/dbraw/zinc/71/36/33/1312713633.db2.gz UHNFPCGTCPTCFG-MSOLQXFVSA-N 2 0 333.863 2.930 10 30 EFEERP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000903459484 1312713644 /nfs/dbraw/zinc/71/36/44/1312713644.db2.gz UHNFPCGTCPTCFG-QZTJIDSGSA-N 2 0 333.863 2.930 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000903474273 1312737731 /nfs/dbraw/zinc/73/77/31/1312737731.db2.gz KSBZEVZTGHRUGZ-LJQANCHMSA-N 2 0 327.472 2.766 10 30 EFEERP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496624 1312771754 /nfs/dbraw/zinc/77/17/54/1312771754.db2.gz WFRHWUQMVBIRGO-BZUAXINKSA-N 2 0 335.517 2.568 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000876716942 1290988875 /nfs/dbraw/zinc/98/88/75/1290988875.db2.gz RIUWIQGTYCFZNH-MRXNPFEDSA-N 2 0 339.867 2.816 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000876737690 1290994947 /nfs/dbraw/zinc/99/49/47/1290994947.db2.gz VTOZZZVDOKZAGT-CYBMUJFWSA-N 2 0 346.258 2.689 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000876739843 1290998411 /nfs/dbraw/zinc/99/84/11/1290998411.db2.gz JIGAJIDNENJODE-XHSDSOJGSA-N 2 0 327.900 2.569 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876753144 1291007165 /nfs/dbraw/zinc/00/71/65/1291007165.db2.gz BDDVZQXDYSHPCW-OIISXLGYSA-N 2 0 335.879 2.626 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876753146 1291007263 /nfs/dbraw/zinc/00/72/63/1291007263.db2.gz BDDVZQXDYSHPCW-UAGQMJEPSA-N 2 0 335.879 2.626 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000876774816 1291018658 /nfs/dbraw/zinc/01/86/58/1291018658.db2.gz IAIYFGHUBFGHIM-NVXWUHKLSA-N 2 0 335.879 2.579 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876885736 1291059212 /nfs/dbraw/zinc/05/92/12/1291059212.db2.gz ZJIODPRUSKGSRU-DOTOQJQBSA-N 2 0 335.879 2.579 10 30 EFEERP C#CCCCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000878291663 1291605049 /nfs/dbraw/zinc/60/50/49/1291605049.db2.gz MLXUYXQNYNGGOC-UHFFFAOYSA-N 2 0 347.547 2.884 10 30 EFEERP C#CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001273607064 1292290414 /nfs/dbraw/zinc/29/04/14/1292290414.db2.gz IAIVWJWKUJIWKT-PMACEKPBSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)C[C@H]2C)CC1 ZINC001277785601 1312942827 /nfs/dbraw/zinc/94/28/27/1312942827.db2.gz LUZCYJZNEZXRDY-UYAOXDASSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883167018 1293488346 /nfs/dbraw/zinc/48/83/46/1293488346.db2.gz NOMLCXMWKFKQFX-FPOVZHCZSA-N 2 0 343.515 2.552 10 30 EFEERP C=CC[NH2+]C1(CC)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001273776927 1295373803 /nfs/dbraw/zinc/37/38/03/1295373803.db2.gz SVOUJHCEKVWVDN-UHFFFAOYSA-N 2 0 343.515 2.951 10 30 EFEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001277893264 1313193567 /nfs/dbraw/zinc/19/35/67/1313193567.db2.gz IMYBRJANTDFRTH-INIZCTEOSA-N 2 0 326.444 2.889 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001274885986 1296202656 /nfs/dbraw/zinc/20/26/56/1296202656.db2.gz WNNSZSLHYBSMFU-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001275623753 1296330149 /nfs/dbraw/zinc/33/01/49/1296330149.db2.gz FBLARKLRBDLLCO-VIQWUECVSA-N 2 0 333.520 2.633 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136583 1297237137 /nfs/dbraw/zinc/23/71/37/1297237137.db2.gz NWJDWJOGUYFKML-NQIIRXRSSA-N 2 0 340.515 2.633 10 30 EFEERP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001488975641 1297917526 /nfs/dbraw/zinc/91/75/26/1297917526.db2.gz PEBNHWPEKLDXFZ-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001489087371 1298009632 /nfs/dbraw/zinc/00/96/32/1298009632.db2.gz QNKJVHVEYLSCGZ-KURKYZTESA-N 2 0 347.547 2.900 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@@H]21 ZINC001489087372 1298010004 /nfs/dbraw/zinc/01/00/04/1298010004.db2.gz QNKJVHVEYLSCGZ-KZNAEPCWSA-N 2 0 347.547 2.900 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC001490209426 1298601655 /nfs/dbraw/zinc/60/16/55/1298601655.db2.gz ZMOILJJTHYNUOT-QUCCMNQESA-N 2 0 341.499 2.592 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001490611569 1299037482 /nfs/dbraw/zinc/03/74/82/1299037482.db2.gz XKGKWJKWSJXMOW-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001490758715 1299198334 /nfs/dbraw/zinc/19/83/34/1299198334.db2.gz MAWLDEWLFNUGMV-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001490768075 1299218344 /nfs/dbraw/zinc/21/83/44/1299218344.db2.gz YIMCWMXJTUKCSP-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490792970 1299262702 /nfs/dbraw/zinc/26/27/02/1299262702.db2.gz PNULVYSSPRITPB-ZCNNSNEGSA-N 2 0 347.547 2.974 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001490793694 1299262765 /nfs/dbraw/zinc/26/27/65/1299262765.db2.gz JVLNQQAFGYTHIC-HCXYKTFWSA-N 2 0 333.520 2.891 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001691739643 1299907132 /nfs/dbraw/zinc/90/71/32/1299907132.db2.gz OPKSOLCZJFTDPD-UHFFFAOYSA-N 2 0 327.900 2.584 10 30 EFEERP C=CC[C@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000852862377 1299917365 /nfs/dbraw/zinc/91/73/65/1299917365.db2.gz BYHCVAONNIAQEI-HXUWFJFHSA-N 2 0 333.520 2.846 10 30 EFEERP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001278157878 1313725067 /nfs/dbraw/zinc/72/50/67/1313725067.db2.gz XAWDWBXULPNUNS-LJQANCHMSA-N 2 0 347.547 2.977 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200574 1313781051 /nfs/dbraw/zinc/78/10/51/1313781051.db2.gz NJHZXXBCEVGZNB-QZTJIDSGSA-N 2 0 345.531 2.586 10 30 EFEERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000865472376 1303272488 /nfs/dbraw/zinc/27/24/88/1303272488.db2.gz ZSOLDCRBUCVAFX-IRXDYDNUSA-N 2 0 344.503 2.603 10 30 EFEERP N#Cc1ccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000866703040 1303757928 /nfs/dbraw/zinc/75/79/28/1303757928.db2.gz FBAPXCBDDJBVQM-UHFFFAOYSA-N 2 0 332.451 2.526 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001490804043 1303948791 /nfs/dbraw/zinc/94/87/91/1303948791.db2.gz KZAMMINYNAVALD-GBESFXJTSA-N 2 0 333.520 2.748 10 30 EFEERP C=C[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870021260 1305089141 /nfs/dbraw/zinc/08/91/41/1305089141.db2.gz CZTVCDGEGXQOKZ-MISYRCLQSA-N 2 0 343.515 2.544 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001278337117 1314156008 /nfs/dbraw/zinc/15/60/08/1314156008.db2.gz XNLCQWAOWVBAOV-CTNGQTDRSA-N 2 0 347.547 2.999 10 30 EFEERP Cc1cc(C#N)ccc1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413090960 1307735206 /nfs/dbraw/zinc/73/52/06/1307735206.db2.gz QNJYVEDCZGVUFU-UHFFFAOYSA-N 2 0 327.472 2.680 10 30 EFEERP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001276668931 1314233386 /nfs/dbraw/zinc/23/33/86/1314233386.db2.gz AEEDHRWLDZSULN-LWYYNNOASA-N 2 0 347.547 2.593 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000900706378 1308556571 /nfs/dbraw/zinc/55/65/71/1308556571.db2.gz HPSBOZTVQRXRNJ-UHFFFAOYSA-N 2 0 329.488 2.617 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001491276136 1311182720 /nfs/dbraw/zinc/18/27/20/1311182720.db2.gz TUVJLVDCTZLTAN-INIZCTEOSA-N 2 0 333.476 2.892 10 30 EFEERP CC#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@H]2C1 ZINC001276838999 1311185298 /nfs/dbraw/zinc/18/52/98/1311185298.db2.gz FHQROGDVKCBMPI-UFYCRDLUSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001276842239 1311189006 /nfs/dbraw/zinc/18/90/06/1311189006.db2.gz ZMBRCMUMTHHCQK-XUVXKRRUSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001284149195 1320237198 /nfs/dbraw/zinc/23/71/98/1320237198.db2.gz SWVSNCGTYKLRNG-MISYRCLQSA-N 2 0 343.515 2.610 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001277275253 1311905917 /nfs/dbraw/zinc/90/59/17/1311905917.db2.gz PCQJEOPOSADFSR-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277283646 1311923147 /nfs/dbraw/zinc/92/31/47/1311923147.db2.gz GQWHFIUIIOBQCM-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001277308375 1311960767 /nfs/dbraw/zinc/96/07/67/1311960767.db2.gz ILHQSAUAUDBIRZ-HRVKUGKESA-N 2 0 333.520 2.939 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001277317125 1311973111 /nfs/dbraw/zinc/97/31/11/1311973111.db2.gz QTPMLKQFYCFSTG-IHWFROFDSA-N 2 0 345.531 2.632 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001277350963 1312040761 /nfs/dbraw/zinc/04/07/61/1312040761.db2.gz BSCFXIXXZRNXIJ-KURKYZTESA-N 2 0 333.520 2.748 10 30 EFEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001277388860 1312099560 /nfs/dbraw/zinc/09/95/60/1312099560.db2.gz UTVKDGURVHBFGS-LJQANCHMSA-N 2 0 345.531 2.587 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001277389074 1312099589 /nfs/dbraw/zinc/09/95/89/1312099589.db2.gz ZQCRSHFIZUHEBS-IBGZPJMESA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001277428961 1312155254 /nfs/dbraw/zinc/15/52/54/1312155254.db2.gz GEZHGWZTAGYJEK-QGZVFWFLSA-N 2 0 335.536 2.996 10 30 EFEERP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902922077 1312212574 /nfs/dbraw/zinc/21/25/74/1312212574.db2.gz KACOFRUHPPCSED-OALUTQOASA-N 2 0 344.503 2.691 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001277515992 1312505936 /nfs/dbraw/zinc/50/59/36/1312505936.db2.gz DWLMGWCKGJTFST-FXAWDEMLSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001277526144 1312514160 /nfs/dbraw/zinc/51/41/60/1312514160.db2.gz XVHUTKFVMPPLEM-FQEVSTJZSA-N 2 0 345.531 2.753 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001277537853 1312527846 /nfs/dbraw/zinc/52/78/46/1312527846.db2.gz NOUGSDVEBICEPG-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001277537856 1312528177 /nfs/dbraw/zinc/52/81/77/1312528177.db2.gz NOUGSDVEBICEPG-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001278462191 1314671856 /nfs/dbraw/zinc/67/18/56/1314671856.db2.gz ZKIMZMXMDURYPH-ZWOKBUDYSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001276737538 1314930921 /nfs/dbraw/zinc/93/09/21/1314930921.db2.gz ALRJHHZHJWWFTB-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001276737549 1314931184 /nfs/dbraw/zinc/93/11/84/1314931184.db2.gz ALRJHHZHJWWFTB-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001276761500 1315116161 /nfs/dbraw/zinc/11/61/61/1315116161.db2.gz MDRUYQLELFAKMJ-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001278566263 1315206743 /nfs/dbraw/zinc/20/67/43/1315206743.db2.gz VVYZPHMPVOJNJD-ZBFHGGJFSA-N 2 0 335.517 2.874 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001278582419 1315232905 /nfs/dbraw/zinc/23/29/05/1315232905.db2.gz LVBVQSHRCRDYKF-OAQYLSRUSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001278644463 1315413155 /nfs/dbraw/zinc/41/31/55/1315413155.db2.gz FPFSXZSALRKEJW-KURKYZTESA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001278676495 1315484892 /nfs/dbraw/zinc/48/48/92/1315484892.db2.gz HUUOVYLYBMKNEM-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278741447 1315640611 /nfs/dbraw/zinc/64/06/11/1315640611.db2.gz OZLYCIGDUIQTKE-HNNXBMFYSA-N 2 0 343.462 2.510 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001318483989 1328613678 /nfs/dbraw/zinc/61/36/78/1328613678.db2.gz IUAPISLWBOHIBR-SFHVURJKSA-N 2 0 335.536 2.975 10 30 EFEERP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001278963634 1315990351 /nfs/dbraw/zinc/99/03/51/1315990351.db2.gz CTTXMRXEJZGFMA-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001279034500 1316086334 /nfs/dbraw/zinc/08/63/34/1316086334.db2.gz MQEITVPZIKAJNZ-GOSISDBHSA-N 2 0 329.488 2.506 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001279079043 1316124912 /nfs/dbraw/zinc/12/49/12/1316124912.db2.gz DCKRPOYMXKSKQI-APWZRJJASA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001264017742 1316581156 /nfs/dbraw/zinc/58/11/56/1316581156.db2.gz LVABCHFJEIHLKP-NCXUSEDFSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CCCCCC2)CC1 ZINC001318607572 1328651222 /nfs/dbraw/zinc/65/12/22/1328651222.db2.gz PZSDIAOOSZARFC-FQEVSTJZSA-N 2 0 347.547 2.786 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196719 1316600144 /nfs/dbraw/zinc/60/01/44/1316600144.db2.gz JUMNZXXRXFMAKI-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196714 1316600432 /nfs/dbraw/zinc/60/04/32/1316600432.db2.gz JSBUBDKGNFJLHH-LJQANCHMSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001264492488 1316619756 /nfs/dbraw/zinc/61/97/56/1316619756.db2.gz SNYDXFDBRCQPIU-OTWHNJEPSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001264497444 1316620727 /nfs/dbraw/zinc/62/07/27/1316620727.db2.gz VTWYGSCSLKXHSI-LJQANCHMSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001264497456 1316620776 /nfs/dbraw/zinc/62/07/76/1316620776.db2.gz WEBRHRKFRTWMBI-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001281086495 1316671808 /nfs/dbraw/zinc/67/18/08/1316671808.db2.gz DKTQLFOHIFUIIU-UYAOXDASSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001281086493 1316671920 /nfs/dbraw/zinc/67/19/20/1316671920.db2.gz DKTQLFOHIFUIIU-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001265094737 1316719336 /nfs/dbraw/zinc/71/93/36/1316719336.db2.gz JCLBDSYSPCDLTJ-AZUAARDMSA-N 2 0 345.531 2.657 10 30 EFEERP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001265134389 1316731786 /nfs/dbraw/zinc/73/17/86/1316731786.db2.gz SNIUYNCPEKWFPI-IBGZPJMESA-N 2 0 341.515 2.993 10 30 EFEERP C=CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001265161189 1316744018 /nfs/dbraw/zinc/74/40/18/1316744018.db2.gz FGFPXUCNUFYNNR-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001265329875 1316783346 /nfs/dbraw/zinc/78/33/46/1316783346.db2.gz OPOVHVQULZTWGL-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265390636 1316795709 /nfs/dbraw/zinc/79/57/09/1316795709.db2.gz JMBFLQOVRMLUBB-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001265408478 1316800915 /nfs/dbraw/zinc/80/09/15/1316800915.db2.gz JOZIGVMIDXHZEH-HDICACEKSA-N 2 0 338.455 2.898 10 30 EFEERP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265411015 1316801421 /nfs/dbraw/zinc/80/14/21/1316801421.db2.gz BPLLKDQDRJUWFP-CEXWTWQISA-N 2 0 335.536 2.994 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001266011575 1316951667 /nfs/dbraw/zinc/95/16/67/1316951667.db2.gz YCIWLDVFMYOYMZ-RBUKOAKNSA-N 2 0 333.520 2.635 10 30 EFEERP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001318687429 1328669261 /nfs/dbraw/zinc/66/92/61/1328669261.db2.gz WWFOCBZJSZWANO-UTKZUKDTSA-N 2 0 345.531 2.539 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266223522 1317165419 /nfs/dbraw/zinc/16/54/19/1317165419.db2.gz RUDPXNPEJBQIDE-SFHVURJKSA-N 2 0 333.520 2.942 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001279328893 1317238086 /nfs/dbraw/zinc/23/80/86/1317238086.db2.gz ZWFTXSFUROCHLH-RTBURBONSA-N 2 0 341.499 2.501 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001279328891 1317238699 /nfs/dbraw/zinc/23/86/99/1317238699.db2.gz ZWFTXSFUROCHLH-KDURUIRLSA-N 2 0 341.499 2.501 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001279566248 1317302586 /nfs/dbraw/zinc/30/25/86/1317302586.db2.gz OWLVLAZPUIWEFV-MOPGFXCFSA-N 2 0 345.531 2.894 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C[NH2+]CCCC)CCCC[C@H]2C)CC1 ZINC001318760733 1328691727 /nfs/dbraw/zinc/69/17/27/1328691727.db2.gz TVNBSKNLNILDLZ-WIYYLYMNSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001280379048 1317533821 /nfs/dbraw/zinc/53/38/21/1317533821.db2.gz TVKCKKLCNBWSEA-BJLQDIEVSA-N 2 0 333.520 2.703 10 30 EFEERP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001280770561 1317767239 /nfs/dbraw/zinc/76/72/39/1317767239.db2.gz SKDNFUZHFAKRRO-VQTJNVASSA-N 2 0 341.499 2.673 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001280770796 1317767466 /nfs/dbraw/zinc/76/74/66/1317767466.db2.gz XGZOOLUIMHGHDY-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C#CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001318862496 1328726262 /nfs/dbraw/zinc/72/62/62/1328726262.db2.gz XVQSOKAOCFFQEB-QGZVFWFLSA-N 2 0 345.487 2.587 10 30 EFEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001318862494 1328726692 /nfs/dbraw/zinc/72/66/92/1328726692.db2.gz XVQSOKAOCFFQEB-KRWDZBQOSA-N 2 0 345.487 2.587 10 30 EFEERP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001280890216 1317883073 /nfs/dbraw/zinc/88/30/73/1317883073.db2.gz VNZJZTPPKJOLFQ-VQTJNVASSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001281017957 1317971458 /nfs/dbraw/zinc/97/14/58/1317971458.db2.gz WDOAMKVAXYJLQA-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001281518379 1318398773 /nfs/dbraw/zinc/39/87/73/1318398773.db2.gz NWXHZGGHSZGXGL-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001281554288 1318444297 /nfs/dbraw/zinc/44/42/97/1318444297.db2.gz AZSFCJKMCJWFBN-NVXWUHKLSA-N 2 0 332.492 2.914 10 30 EFEERP C#CCC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001319029412 1328767164 /nfs/dbraw/zinc/76/71/64/1328767164.db2.gz FXMHQLGGKVBJRB-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001281845288 1318602591 /nfs/dbraw/zinc/60/25/91/1318602591.db2.gz WLFLTBSURSVAKX-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001281939575 1318631884 /nfs/dbraw/zinc/63/18/84/1318631884.db2.gz IZLDWRYKOKLPOR-VQTJNVASSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001281975173 1318642032 /nfs/dbraw/zinc/64/20/32/1318642032.db2.gz LFZNIDOLGSUZIK-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001282221005 1318784285 /nfs/dbraw/zinc/78/42/85/1318784285.db2.gz XTOWFDGLYKUJDE-CVEARBPZSA-N 2 0 349.906 2.516 10 30 EFEERP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282833497 1319150290 /nfs/dbraw/zinc/15/02/90/1319150290.db2.gz LCWIBAVXLIDAOT-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001282874579 1319179241 /nfs/dbraw/zinc/17/92/41/1319179241.db2.gz GMSRTSMUSCCGOA-VYJAJWGXSA-N 2 0 349.563 2.981 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001282966618 1319224364 /nfs/dbraw/zinc/22/43/64/1319224364.db2.gz FHGXBBSUFHMFNK-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CCCCCC)C[C@@]2(C)C1 ZINC001282993445 1319246484 /nfs/dbraw/zinc/24/64/84/1319246484.db2.gz YPECAUHFHGHSLB-OYRHEFFESA-N 2 0 347.547 2.692 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001283172546 1319395519 /nfs/dbraw/zinc/39/55/19/1319395519.db2.gz DLRMOIRAWHOFIA-QZTJIDSGSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCCC)C[C@@H]2C)CC1 ZINC001284034509 1320158469 /nfs/dbraw/zinc/15/84/69/1320158469.db2.gz RHXDEFHJLRWPBS-AZUAARDMSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001284179314 1320253477 /nfs/dbraw/zinc/25/34/77/1320253477.db2.gz LWPSPGOEABKWGH-ZBFHGGJFSA-N 2 0 335.517 2.874 10 30 EFEERP C=CCC[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001284844077 1320559729 /nfs/dbraw/zinc/55/97/29/1320559729.db2.gz ZGVNEBNZDFMOCX-SFHVURJKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001284853279 1320562503 /nfs/dbraw/zinc/56/25/03/1320562503.db2.gz PCRJBJDEEOIHRW-DLBZAZTESA-N 2 0 333.520 2.654 10 30 EFEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319610083 1328928753 /nfs/dbraw/zinc/92/87/53/1328928753.db2.gz RIPZLCPGKSKFGL-QZTJIDSGSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001319652239 1328938471 /nfs/dbraw/zinc/93/84/71/1328938471.db2.gz WANINFXVKLYICU-VQTJNVASSA-N 2 0 347.547 2.949 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCCC1 ZINC001319657684 1328940954 /nfs/dbraw/zinc/94/09/54/1328940954.db2.gz SWEPOIKQADPZEQ-WOJBJXKFSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001319666257 1328944291 /nfs/dbraw/zinc/94/42/91/1328944291.db2.gz AFIABZDQKOTSCQ-PMACEKPBSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C1CCCCC1 ZINC001319670065 1328946330 /nfs/dbraw/zinc/94/63/30/1328946330.db2.gz XDTJDRSPWORSNT-MOPGFXCFSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316644401 1321568787 /nfs/dbraw/zinc/56/87/87/1321568787.db2.gz PGFVRRJHKIABKF-ZCNNSNEGSA-N 2 0 343.515 2.733 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001320144932 1329097187 /nfs/dbraw/zinc/09/71/87/1329097187.db2.gz DZTYDSICQJIFMQ-MAUKXSAKSA-N 2 0 326.444 2.707 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001320144934 1329097220 /nfs/dbraw/zinc/09/72/20/1329097220.db2.gz DZTYDSICQJIFMQ-YJBOKZPZSA-N 2 0 326.444 2.707 10 30 EFEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001491958434 1324076710 /nfs/dbraw/zinc/07/67/10/1324076710.db2.gz DDRQCSCWHCNILD-HXUWFJFHSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001316683881 1324572155 /nfs/dbraw/zinc/57/21/55/1324572155.db2.gz GJJRQXUGQLUMGF-UXHICEINSA-N 2 0 347.547 2.883 10 30 EFEERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001320609528 1329177111 /nfs/dbraw/zinc/17/71/11/1329177111.db2.gz UKVJZSOPCTXJTB-QAPCUYQASA-N 2 0 349.906 2.516 10 30 EFEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316717473 1325042595 /nfs/dbraw/zinc/04/25/95/1325042595.db2.gz IFFFAXJWIFKDQY-WOJBJXKFSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001316848733 1325216536 /nfs/dbraw/zinc/21/65/36/1325216536.db2.gz AGJAKEMNIUYOHH-UXHICEINSA-N 2 0 343.515 2.736 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001317006883 1325477854 /nfs/dbraw/zinc/47/78/54/1325477854.db2.gz SHTDOGVMWQPNNM-IBGZPJMESA-N 2 0 335.536 2.833 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317040372 1325508254 /nfs/dbraw/zinc/50/82/54/1325508254.db2.gz CVXBNDFDSKASKG-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317099807 1325563922 /nfs/dbraw/zinc/56/39/22/1325563922.db2.gz JVMBDHUFQUZJTL-WOJBJXKFSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001317176070 1327684920 /nfs/dbraw/zinc/68/49/20/1327684920.db2.gz JETRUEQEXCYVLM-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317191623 1327711246 /nfs/dbraw/zinc/71/12/46/1327711246.db2.gz IPHSGXBGLGJEHM-QFBILLFUSA-N 2 0 339.499 2.746 10 30 EFEERP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317358096 1327892060 /nfs/dbraw/zinc/89/20/60/1327892060.db2.gz MGZGPCKMAHUGPQ-DLBZAZTESA-N 2 0 333.520 2.680 10 30 EFEERP CCC[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317411102 1327960617 /nfs/dbraw/zinc/96/06/17/1327960617.db2.gz BKEWKGFPKOYNRB-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317436613 1328025538 /nfs/dbraw/zinc/02/55/38/1328025538.db2.gz ZCGCEKKTOGRLCX-HOTGVXAUSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317674900 1328269983 /nfs/dbraw/zinc/26/99/83/1328269983.db2.gz JKLRDTORXSSXDY-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001317684129 1328286862 /nfs/dbraw/zinc/28/68/62/1328286862.db2.gz GISMUUQKVYWQMO-QGZVFWFLSA-N 2 0 343.515 2.807 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001317711273 1328319381 /nfs/dbraw/zinc/31/93/81/1328319381.db2.gz LJOOZUJMXZIAEE-UXHICEINSA-N 2 0 341.499 2.674 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001317722495 1328331736 /nfs/dbraw/zinc/33/17/36/1328331736.db2.gz VAWOPTWPMMQVBT-IBGZPJMESA-N 2 0 341.499 2.579 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001317721776 1328332258 /nfs/dbraw/zinc/33/22/58/1328332258.db2.gz XRPXQEBJDQNBOM-SFHVURJKSA-N 2 0 327.472 2.638 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001317770735 1328367923 /nfs/dbraw/zinc/36/79/23/1328367923.db2.gz ATIOLEDHWRWJNM-FQEVSTJZSA-N 2 0 345.531 2.611 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001317835037 1328404233 /nfs/dbraw/zinc/40/42/33/1328404233.db2.gz BNUFHUUUFAIGFE-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317842696 1328411736 /nfs/dbraw/zinc/41/17/36/1328411736.db2.gz XJNOAUBPNHMQCE-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317842714 1328411788 /nfs/dbraw/zinc/41/17/88/1328411788.db2.gz XTRHDNIBZXXXGN-KRWDZBQOSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317842695 1328412807 /nfs/dbraw/zinc/41/28/07/1328412807.db2.gz XJNOAUBPNHMQCE-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848497 1328416084 /nfs/dbraw/zinc/41/60/84/1328416084.db2.gz MTIFTUYRHZXRCM-ICSRJNTNSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848495 1328416654 /nfs/dbraw/zinc/41/66/54/1328416654.db2.gz MTIFTUYRHZXRCM-AZUAARDMSA-N 2 0 345.531 2.587 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001323645066 1329558655 /nfs/dbraw/zinc/55/86/55/1329558655.db2.gz XKGPNNDGGODQCH-PMACEKPBSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001323658199 1329559359 /nfs/dbraw/zinc/55/93/59/1329559359.db2.gz QHGMQAKUIKPDMP-FBVQUNGASA-N 2 0 339.499 2.744 10 30 EFEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001323832251 1329575824 /nfs/dbraw/zinc/57/58/24/1329575824.db2.gz MKRBLAJQBBYPFS-KRWDZBQOSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001323833163 1329576413 /nfs/dbraw/zinc/57/64/13/1329576413.db2.gz VZIIDJMNVPHQGW-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001324080038 1329597435 /nfs/dbraw/zinc/59/74/35/1329597435.db2.gz DRSDPVPHOOUVJO-PXNSSMCTSA-N 2 0 343.515 2.950 10 30 EFEERP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC)CC1 ZINC001324395974 1329623313 /nfs/dbraw/zinc/62/33/13/1329623313.db2.gz KMTIXZLLKNNWGP-GOSISDBHSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCCCC)CC1 ZINC001324432027 1329626838 /nfs/dbraw/zinc/62/68/38/1329626838.db2.gz NRSRTVPFFXAAHU-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCCC=C)CC1 ZINC001324440673 1329627885 /nfs/dbraw/zinc/62/78/85/1329627885.db2.gz FBHHOEOIOUWMDE-OALUTQOASA-N 2 0 345.531 2.752 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001324440228 1329628000 /nfs/dbraw/zinc/62/80/00/1329628000.db2.gz BSAIIYMJLYZWEG-UXHICEINSA-N 2 0 337.467 2.867 10 30 EFEERP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001324556713 1329639302 /nfs/dbraw/zinc/63/93/02/1329639302.db2.gz KXHSKCKWRPLZNJ-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001324555597 1329639406 /nfs/dbraw/zinc/63/94/06/1329639406.db2.gz AFLSKDSMVUTGQI-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001324958162 1329663142 /nfs/dbraw/zinc/66/31/42/1329663142.db2.gz PNWBDSSZCUGNRG-QUCCMNQESA-N 2 0 335.536 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCCC(C)C)C2)CC1 ZINC001325468283 1329690589 /nfs/dbraw/zinc/69/05/89/1329690589.db2.gz UNIGKDSOTUDAGE-AZUAARDMSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001325579843 1329698632 /nfs/dbraw/zinc/69/86/32/1329698632.db2.gz BUDSRSYLXOJLCC-XLIONFOSSA-N 2 0 347.547 2.759 10 30 EFEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001325694144 1329706791 /nfs/dbraw/zinc/70/67/91/1329706791.db2.gz SAIAANMWPBKYLC-GOSISDBHSA-N 2 0 349.906 2.842 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001325916385 1329723862 /nfs/dbraw/zinc/72/38/62/1329723862.db2.gz IMAPASZTIYQTDJ-OALUTQOASA-N 2 0 333.520 2.894 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001325918983 1329724103 /nfs/dbraw/zinc/72/41/03/1329724103.db2.gz FZWSTGYXWTVNHB-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001325942808 1329726928 /nfs/dbraw/zinc/72/69/28/1329726928.db2.gz OSWVGAWNSKIXSC-PKOBYXMFSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001326598479 1330324779 /nfs/dbraw/zinc/32/47/79/1330324779.db2.gz JORVCUHYIFACPS-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327307403 1330457197 /nfs/dbraw/zinc/45/71/97/1330457197.db2.gz CEHRSJDNOCXAGB-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001327456179 1330481526 /nfs/dbraw/zinc/48/15/26/1330481526.db2.gz XZGCRXDPZBHEST-IBGZPJMESA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001327540198 1330496669 /nfs/dbraw/zinc/49/66/69/1330496669.db2.gz HDFCMLLVGVHNIZ-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C=CC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CCC[NH2+]1 ZINC001327601205 1330499748 /nfs/dbraw/zinc/49/97/48/1330499748.db2.gz JADXEQQZQXTHRE-NRFANRHFSA-N 2 0 341.499 2.728 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2C1 ZINC001327694811 1330509930 /nfs/dbraw/zinc/50/99/30/1330509930.db2.gz DDYLQWFCVYMDKF-LJQANCHMSA-N 2 0 327.472 2.679 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001328006455 1330540912 /nfs/dbraw/zinc/54/09/12/1330540912.db2.gz DVTWQIGQESMCBV-UHFFFAOYSA-N 2 0 343.515 2.951 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328588876 1330606460 /nfs/dbraw/zinc/60/64/60/1330606460.db2.gz ODHPFJXOXUZZRJ-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001328811773 1330636849 /nfs/dbraw/zinc/63/68/49/1330636849.db2.gz FQZBQHYZEDVTNM-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328811325 1330636887 /nfs/dbraw/zinc/63/68/87/1330636887.db2.gz ALJBACYVCTZXNB-VQTJNVASSA-N 2 0 347.547 2.855 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001329761616 1330734592 /nfs/dbraw/zinc/73/45/92/1330734592.db2.gz NAHDWYNJSGCVOY-RTBURBONSA-N 2 0 335.536 2.737 10 30 EFEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001330512198 1330763595 /nfs/dbraw/zinc/76/35/95/1330763595.db2.gz NCRZSPAUBQXUSM-MOPGFXCFSA-N 2 0 345.531 2.894 10 30 EFEERP C=C(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001331087628 1330793610 /nfs/dbraw/zinc/79/36/10/1330793610.db2.gz FGTCZOHPIHXCSV-UHFFFAOYSA-N 2 0 343.515 2.913 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001331175883 1330802201 /nfs/dbraw/zinc/80/22/01/1330802201.db2.gz DPGYHCMPHCSGKS-UXHICEINSA-N 2 0 341.499 2.720 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001331318314 1330821065 /nfs/dbraw/zinc/82/10/65/1330821065.db2.gz KHTQRNSDJPRJKL-PKOBYXMFSA-N 2 0 344.503 2.547 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332009231 1330904113 /nfs/dbraw/zinc/90/41/13/1330904113.db2.gz UJIFKWAGZXNUTK-GDBMZVCRSA-N 2 0 326.444 2.802 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC001332089817 1330916570 /nfs/dbraw/zinc/91/65/70/1330916570.db2.gz KSKQESZMWAJFAE-DMUMMCEESA-N 2 0 333.520 2.796 10 30 EFEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001332099842 1330918904 /nfs/dbraw/zinc/91/89/04/1330918904.db2.gz LAWVYCMESNZVLI-GHTZIAJQSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001332118285 1330924072 /nfs/dbraw/zinc/92/40/72/1330924072.db2.gz NRDVNFDMJAFJQY-NLWGTHIKSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001332151110 1330929090 /nfs/dbraw/zinc/92/90/90/1330929090.db2.gz YGZKHFCVIUGITK-RCCFBDPRSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001332424718 1330970476 /nfs/dbraw/zinc/97/04/76/1330970476.db2.gz UYPALISRTKFPPB-DNVCBOLYSA-N 2 0 339.499 2.602 10 30 EFEERP C=C(C)C[NH+]1CC=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001333378107 1331129061 /nfs/dbraw/zinc/12/90/61/1331129061.db2.gz KVMMFSCLLJJTLW-UHFFFAOYSA-N 2 0 333.520 2.965 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(C2CC[NH2+]CC2)CC1)C(C)C ZINC001340810064 1332208449 /nfs/dbraw/zinc/20/84/49/1332208449.db2.gz ULIHMOUSCBWOPF-SFHVURJKSA-N 2 0 333.520 2.581 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001480272688 1333516707 /nfs/dbraw/zinc/51/67/07/1333516707.db2.gz YAMPXVSSUYSYHL-VOFKWLDRSA-N 2 0 345.531 2.516 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480283968 1333547522 /nfs/dbraw/zinc/54/75/22/1333547522.db2.gz OSTJDRQCQYNAHD-ICSRJNTNSA-N 2 0 347.547 2.903 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001366777087 1337996062 /nfs/dbraw/zinc/99/60/62/1337996062.db2.gz AYARCUXOKFWYEV-WBVHZDCISA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001367161384 1338460402 /nfs/dbraw/zinc/46/04/02/1338460402.db2.gz QHKHTVYVYVTPNY-JKSUJKDBSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001367321175 1338618601 /nfs/dbraw/zinc/61/86/01/1338618601.db2.gz DFLMVHCCGSYGAD-CVEARBPZSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001368192307 1339246823 /nfs/dbraw/zinc/24/68/23/1339246823.db2.gz CXQJKLJKYRRQEG-WMZOPIPTSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001368489968 1339427129 /nfs/dbraw/zinc/42/71/29/1339427129.db2.gz NUGVLIITIHYCCL-QGZVFWFLSA-N 2 0 345.890 2.580 10 30 EFEERP C=C(Cl)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001368816644 1339756267 /nfs/dbraw/zinc/75/62/67/1339756267.db2.gz PTPQNUYYHBSDPA-UHFFFAOYSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001370826556 1340222063 /nfs/dbraw/zinc/22/20/63/1340222063.db2.gz HNTSBLFIJRHPCU-IAGOWNOFSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001373929666 1341208841 /nfs/dbraw/zinc/20/88/41/1341208841.db2.gz GXYLJVINTDEKFT-ZWKOTPCHSA-N 2 0 349.906 2.875 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001373964480 1341258928 /nfs/dbraw/zinc/25/89/28/1341258928.db2.gz DLHMJCOECJJEFU-HZPDHXFCSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001374178937 1341518785 /nfs/dbraw/zinc/51/87/85/1341518785.db2.gz GTZPBNMJZZSKEH-INIZCTEOSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001374437751 1341921225 /nfs/dbraw/zinc/92/12/25/1341921225.db2.gz DSGNZWXPAHGYFA-JKSUJKDBSA-N 2 0 329.916 2.732 10 30 EFEERP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001375917437 1343165229 /nfs/dbraw/zinc/16/52/29/1343165229.db2.gz LYAUQGUHTXKVKJ-INIZCTEOSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001377030898 1344076625 /nfs/dbraw/zinc/07/66/25/1344076625.db2.gz JEXWSWXYOBYMBJ-IAGOWNOFSA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001377764637 1344414871 /nfs/dbraw/zinc/41/48/71/1344414871.db2.gz JFQVGPBNUGXFFW-IAGOWNOFSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001378372872 1345021117 /nfs/dbraw/zinc/02/11/17/1345021117.db2.gz QFGQPRIZNAKESJ-YESZJQIVSA-N 2 0 343.943 2.932 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001381033484 1348034848 /nfs/dbraw/zinc/03/48/48/1348034848.db2.gz URYQOIGRLHQAOP-GOSISDBHSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001381105397 1348078973 /nfs/dbraw/zinc/07/89/73/1348078973.db2.gz VLEDUABREIENBC-UHFFFAOYSA-N 2 0 339.911 2.586 10 30 EFEERP C=C(Cl)CN1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001381869634 1348580597 /nfs/dbraw/zinc/58/05/97/1348580597.db2.gz GQLOYUBYVMYARC-AWEZNQCLSA-N 2 0 329.916 2.543 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001391812060 1355554989 /nfs/dbraw/zinc/55/49/89/1355554989.db2.gz QNMRYDIXLAOHHR-WMLDXEAASA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001398447651 1360565232 /nfs/dbraw/zinc/56/52/32/1360565232.db2.gz CPEMIBHEURJHHU-IRXDYDNUSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001401249855 1362589583 /nfs/dbraw/zinc/58/95/83/1362589583.db2.gz BZCHGVSLJZCSLB-WBVHZDCISA-N 2 0 337.895 2.868 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001401249851 1362589639 /nfs/dbraw/zinc/58/96/39/1362589639.db2.gz BZCHGVSLJZCSLB-NVXWUHKLSA-N 2 0 337.895 2.868 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001402526959 1363761254 /nfs/dbraw/zinc/76/12/54/1363761254.db2.gz LECBLCBLGRMWOJ-HZPDHXFCSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001402784872 1364032687 /nfs/dbraw/zinc/03/26/87/1364032687.db2.gz XMDWYZYPWJHFOQ-GASCZTMLSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001402950227 1364156589 /nfs/dbraw/zinc/15/65/89/1364156589.db2.gz YMBSMAKWJDEHHY-SJORKVTESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001403525547 1364731404 /nfs/dbraw/zinc/73/14/04/1364731404.db2.gz LCUILOAMMCYUPW-DLBZAZTESA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001403594827 1364798437 /nfs/dbraw/zinc/79/84/37/1364798437.db2.gz JVMVGFHDAKHWRG-WBVHZDCISA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)CN1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001437888946 1388179552 /nfs/dbraw/zinc/17/95/52/1388179552.db2.gz GLPZVNDXIQNMCV-SJORKVTESA-N 2 0 341.927 2.926 10 30 EFEERP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001437888933 1388179935 /nfs/dbraw/zinc/17/99/35/1388179935.db2.gz GLPZVNDXIQNMCV-IAGOWNOFSA-N 2 0 341.927 2.926 10 30 EFEERP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001437888927 1388180067 /nfs/dbraw/zinc/18/00/67/1388180067.db2.gz GLPZVNDXIQNMCV-DLBZAZTESA-N 2 0 341.927 2.926 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001417837043 1373316828 /nfs/dbraw/zinc/31/68/28/1373316828.db2.gz JBCSVTJFJNSMRA-KRWDZBQOSA-N 2 0 341.927 2.976 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001418931136 1374696735 /nfs/dbraw/zinc/69/67/35/1374696735.db2.gz CXKSVGRODACVDR-DLBZAZTESA-N 2 0 341.927 2.641 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001418931142 1374697324 /nfs/dbraw/zinc/69/73/24/1374697324.db2.gz CXKSVGRODACVDR-SJORKVTESA-N 2 0 341.927 2.641 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001419578852 1375473829 /nfs/dbraw/zinc/47/38/29/1375473829.db2.gz KDVHQKXOCYUJGZ-DLBZAZTESA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001419626025 1375574357 /nfs/dbraw/zinc/57/43/57/1375574357.db2.gz RPHBMYSRQSCBDH-HZPDHXFCSA-N 2 0 327.900 2.536 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001419714625 1375759374 /nfs/dbraw/zinc/75/93/74/1375759374.db2.gz BBRWDWDATXICNF-WBVHZDCISA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001438296974 1388490397 /nfs/dbraw/zinc/49/03/97/1388490397.db2.gz BMPVSRSTIFOHOA-CVEARBPZSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001422353323 1379962422 /nfs/dbraw/zinc/96/24/22/1379962422.db2.gz MLFHMNXYTUFBGX-VXGBXAGGSA-N 2 0 329.897 2.659 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001506870527 1406389471 /nfs/dbraw/zinc/38/94/71/1406389471.db2.gz QSLKSMIDJKIGOL-YSIASYRMSA-N 2 0 335.536 2.852 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001441121913 1391116288 /nfs/dbraw/zinc/11/62/88/1391116288.db2.gz VAIRSEHPTDZBRT-JYJNAYRXSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001448217907 1392025226 /nfs/dbraw/zinc/02/52/26/1392025226.db2.gz PAPZIGHZOOQZSN-GOEBONIOSA-N 2 0 329.916 2.543 10 30 EFEERP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001507021944 1406602161 /nfs/dbraw/zinc/60/21/61/1406602161.db2.gz JAHFYTKMNZJYDJ-MOPGFXCFSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001460362717 1396029947 /nfs/dbraw/zinc/02/99/47/1396029947.db2.gz OIGPUMCEUQOHCY-MJGOQNOKSA-N 2 0 329.488 2.694 10 30 EFEERP C#Cc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC001473193540 1397289207 /nfs/dbraw/zinc/28/92/07/1397289207.db2.gz WEZWQGAZJVGKRL-LJQANCHMSA-N 2 0 327.472 2.803 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479302345 1397673606 /nfs/dbraw/zinc/67/36/06/1397673606.db2.gz KAUYCJJPQRXWDW-KURKYZTESA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479459908 1397729449 /nfs/dbraw/zinc/72/94/49/1397729449.db2.gz AFUAQRRVJGULRS-FGTMMUONSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001479459910 1397729574 /nfs/dbraw/zinc/72/95/74/1397729574.db2.gz AFUAQRRVJGULRS-OKZBNKHCSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001479504476 1397739573 /nfs/dbraw/zinc/73/95/73/1397739573.db2.gz RLRMPJBLAVMRGZ-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480154948 1398129743 /nfs/dbraw/zinc/12/97/43/1398129743.db2.gz DFKWPEIUHMMVEX-ZHALLVOQSA-N 2 0 333.520 2.987 10 30 EFEERP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480189840 1398158904 /nfs/dbraw/zinc/15/89/04/1398158904.db2.gz SVHDHTQCQXBEPF-WOJBJXKFSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480665958 1398272104 /nfs/dbraw/zinc/27/21/04/1398272104.db2.gz QKZVQPFCQKOTBI-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001507355563 1406943197 /nfs/dbraw/zinc/94/31/97/1406943197.db2.gz LANOXZLXJANBDR-ICSRJNTNSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001507356462 1406944387 /nfs/dbraw/zinc/94/43/87/1406944387.db2.gz PNDCXYCOFUTZCF-QUCCMNQESA-N 2 0 333.520 2.942 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC2CCC(C)CC2)CC1 ZINC001493062342 1398406044 /nfs/dbraw/zinc/40/60/44/1398406044.db2.gz NINRNLYHJBWXCP-UHFFFAOYSA-N 2 0 347.547 2.596 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001493205204 1398530857 /nfs/dbraw/zinc/53/08/57/1398530857.db2.gz CXHOPLYIPCBFEN-HKUYNNGSSA-N 2 0 335.536 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001493266345 1398574998 /nfs/dbraw/zinc/57/49/98/1398574998.db2.gz FGHHZWZSLBRAMR-RURPWVQCSA-N 2 0 345.531 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)CCC(C)(C)C)CC1 ZINC001493334708 1398621223 /nfs/dbraw/zinc/62/12/23/1398621223.db2.gz XXHQPUHZXANAFD-UHFFFAOYSA-N 2 0 335.536 2.596 10 30 EFEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889483 1398955927 /nfs/dbraw/zinc/95/59/27/1398955927.db2.gz SGIXDSWIQMAXNX-QRQLOZEOSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001493889022 1398956006 /nfs/dbraw/zinc/95/60/06/1398956006.db2.gz MKNQBRORIKPATI-PMACEKPBSA-N 2 0 341.499 2.742 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388839 1407001006 /nfs/dbraw/zinc/00/10/06/1407001006.db2.gz VDGHMCVPSXRXPD-UYAOXDASSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494146553 1399166565 /nfs/dbraw/zinc/16/65/65/1399166565.db2.gz VAYLMZKQUGNODW-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001494154616 1399172373 /nfs/dbraw/zinc/17/23/73/1399172373.db2.gz PJOVRYQRXIKRNW-IEBWSBKVSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001494195846 1399203443 /nfs/dbraw/zinc/20/34/43/1399203443.db2.gz MVVHUWAWFOCXNG-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001494205543 1399212388 /nfs/dbraw/zinc/21/23/88/1399212388.db2.gz RMCDPDYRYXVCNI-HXUWFJFHSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001507444157 1407060185 /nfs/dbraw/zinc/06/01/85/1407060185.db2.gz WWJMBVRNVSOZBD-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001495361534 1399906121 /nfs/dbraw/zinc/90/61/21/1399906121.db2.gz YUYNONLEZUGZAF-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001495425014 1399969006 /nfs/dbraw/zinc/96/90/06/1399969006.db2.gz CAMIOLMJTLVDGJ-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC/C=C\CC)C(C)(C)C2)CC1 ZINC001507454537 1407073636 /nfs/dbraw/zinc/07/36/36/1407073636.db2.gz XMPHSCPDYCMXHA-FQQSSWHASA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001495489438 1400022732 /nfs/dbraw/zinc/02/27/32/1400022732.db2.gz SLDAZBZJNKCNAE-VQIMIIECSA-N 2 0 329.488 2.699 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001495491724 1400025747 /nfs/dbraw/zinc/02/57/47/1400025747.db2.gz KOSHBRWBTADJBP-IBGZPJMESA-N 2 0 329.488 2.700 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001495498641 1400032427 /nfs/dbraw/zinc/03/24/27/1400032427.db2.gz WIHFMSOSPHBNRH-RBUKOAKNSA-N 2 0 329.488 2.699 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001495598823 1400106843 /nfs/dbraw/zinc/10/68/43/1400106843.db2.gz LGZCJFGOZRWQDV-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001495918082 1400354717 /nfs/dbraw/zinc/35/47/17/1400354717.db2.gz CFNNGKJZSHKDFN-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001495987151 1400399908 /nfs/dbraw/zinc/39/99/08/1400399908.db2.gz OWBUSPIPYMGPMK-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001496315695 1400631971 /nfs/dbraw/zinc/63/19/71/1400631971.db2.gz WHPSYPPXUKSQQA-RBUKOAKNSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001496316081 1400632368 /nfs/dbraw/zinc/63/23/68/1400632368.db2.gz XWXNPRPUSOKTAD-GBESFXJTSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496414559 1400716079 /nfs/dbraw/zinc/71/60/79/1400716079.db2.gz BRDYMIOJYFSFMX-FQEVSTJZSA-N 2 0 341.499 2.746 10 30 EFEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001496510818 1400786459 /nfs/dbraw/zinc/78/64/59/1400786459.db2.gz MLRUJEPFZZSHBO-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001496512395 1400786887 /nfs/dbraw/zinc/78/68/87/1400786887.db2.gz GUDIOFDLGBTQGZ-HKUYNNGSSA-N 2 0 335.536 2.853 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001496718172 1400939398 /nfs/dbraw/zinc/93/93/98/1400939398.db2.gz JOZBWUAGPIGERR-IBGZPJMESA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001496867719 1401063941 /nfs/dbraw/zinc/06/39/41/1401063941.db2.gz GIPQOHLAPBOBSC-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001497329280 1401306097 /nfs/dbraw/zinc/30/60/97/1401306097.db2.gz ANAHPVJAWYDCSV-MRXNPFEDSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001497331635 1401307878 /nfs/dbraw/zinc/30/78/78/1401307878.db2.gz MXXUMXMGFOXJMC-ZWKOTPCHSA-N 2 0 341.499 2.577 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C(C)(C)C ZINC001507984508 1407231982 /nfs/dbraw/zinc/23/19/82/1407231982.db2.gz JXCWCFBXBAZOAQ-IBGZPJMESA-N 2 0 343.515 2.548 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@@H]1CC ZINC001498905257 1402372048 /nfs/dbraw/zinc/37/20/48/1402372048.db2.gz YWLNFAPYSBDRQX-HOTGVXAUSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001499324767 1402566093 /nfs/dbraw/zinc/56/60/93/1402566093.db2.gz NOHZSZKHNFCCCZ-SFHVURJKSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001499530629 1402665895 /nfs/dbraw/zinc/66/58/95/1402665895.db2.gz LBGLHVRDEMNNDV-GOSISDBHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001499584619 1402700637 /nfs/dbraw/zinc/70/06/37/1402700637.db2.gz HZKSHODPKIETPL-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001499620208 1402724335 /nfs/dbraw/zinc/72/43/35/1402724335.db2.gz SZNIRRATNYBLAA-PZJWPPBQSA-N 2 0 347.547 2.997 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500037226 1402908546 /nfs/dbraw/zinc/90/85/46/1402908546.db2.gz CJABPPIILKRRGN-ICSRJNTNSA-N 2 0 347.547 2.832 10 30 EFEERP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001500053614 1402915211 /nfs/dbraw/zinc/91/52/11/1402915211.db2.gz AQMLQXPEXGVUGG-UHFFFAOYSA-N 2 0 333.520 2.611 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001500057952 1402916607 /nfs/dbraw/zinc/91/66/07/1402916607.db2.gz QSJJWVSOCVVFPT-UHFFFAOYSA-N 2 0 345.531 2.755 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001500095752 1402935072 /nfs/dbraw/zinc/93/50/72/1402935072.db2.gz OMSHVWWZDXCZAK-MOPGFXCFSA-N 2 0 333.520 2.844 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001500123022 1402947009 /nfs/dbraw/zinc/94/70/09/1402947009.db2.gz PQXKFSSPEYBWAY-IBGZPJMESA-N 2 0 333.520 2.559 10 30 EFEERP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001500160908 1402962703 /nfs/dbraw/zinc/96/27/03/1402962703.db2.gz GHUOAUSOGCBOKV-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001500347536 1403067129 /nfs/dbraw/zinc/06/71/29/1403067129.db2.gz HYNJGUFXLLDAPR-XLIONFOSSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001500347535 1403067209 /nfs/dbraw/zinc/06/72/09/1403067209.db2.gz HYNJGUFXLLDAPR-PXNSSMCTSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001500354339 1403070552 /nfs/dbraw/zinc/07/05/52/1403070552.db2.gz PSORFLDXVVFGHS-AZUAARDMSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500519398 1403189994 /nfs/dbraw/zinc/18/99/94/1403189994.db2.gz NWNDLVDPHWZGPJ-PZJWPPBQSA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1CC ZINC001501019230 1403407750 /nfs/dbraw/zinc/40/77/50/1403407750.db2.gz NGFHLEJEEKQDOX-LJQANCHMSA-N 2 0 341.499 2.504 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001501022080 1403409537 /nfs/dbraw/zinc/40/95/37/1403409537.db2.gz MSZXOGQPNLDGAQ-RTBURBONSA-N 2 0 329.488 2.666 10 30 EFEERP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001501419914 1403598380 /nfs/dbraw/zinc/59/83/80/1403598380.db2.gz VDMGKQFYZXKVQU-AZUAARDMSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001501573840 1403632953 /nfs/dbraw/zinc/63/29/53/1403632953.db2.gz BNTYQQVWNUTYEK-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001502124451 1404016711 /nfs/dbraw/zinc/01/67/11/1404016711.db2.gz RRHQZEWBGUBRDF-DLBZAZTESA-N 2 0 327.488 2.603 10 30 EFEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001502495052 1404197836 /nfs/dbraw/zinc/19/78/36/1404197836.db2.gz ZBTLWZQCURZCHK-SFHVURJKSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001502543960 1404234332 /nfs/dbraw/zinc/23/43/32/1404234332.db2.gz QLJYCINVLUYUSA-QWFCFKBJSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001502543959 1404234383 /nfs/dbraw/zinc/23/43/83/1404234383.db2.gz QLJYCINVLUYUSA-GGPKGHCWSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001502545575 1404235560 /nfs/dbraw/zinc/23/55/60/1404235560.db2.gz CYAXYPOEGFNQCW-HXUWFJFHSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001502548698 1404239121 /nfs/dbraw/zinc/23/91/21/1404239121.db2.gz ZEWXSJRFOBOQSE-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001502759579 1404329076 /nfs/dbraw/zinc/32/90/76/1404329076.db2.gz IYJLUFJFVCOWDS-MJGOQNOKSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC001502836514 1404393948 /nfs/dbraw/zinc/39/39/48/1404393948.db2.gz PYSFGMLPQZIHTI-RDJZCZTQSA-N 2 0 332.492 2.763 10 30 EFEERP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001503763673 1404508104 /nfs/dbraw/zinc/50/81/04/1404508104.db2.gz FKJSDJHTKZBPOZ-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CC/C=C/CC)CC1 ZINC001505411516 1404569611 /nfs/dbraw/zinc/56/96/11/1404569611.db2.gz LDSAQGLAILFALE-XJDXJNMNSA-N 2 0 345.531 2.659 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001505431538 1404594224 /nfs/dbraw/zinc/59/42/24/1404594224.db2.gz XODPVWHYZJSVOM-AZUAARDMSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001505440727 1404619960 /nfs/dbraw/zinc/61/99/60/1404619960.db2.gz YVHFNBSTEFHWNG-LJQANCHMSA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001505471887 1404705957 /nfs/dbraw/zinc/70/59/57/1404705957.db2.gz COLYPIWZUMYHQH-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505637016 1404880136 /nfs/dbraw/zinc/88/01/36/1404880136.db2.gz GMGCHSSHTXZCNZ-ZIAGYGMSSA-N 2 0 329.916 2.875 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001506065176 1405425273 /nfs/dbraw/zinc/42/52/73/1405425273.db2.gz KUZIYNHLYFZAEK-XBMUEBEBSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001506533196 1405919781 /nfs/dbraw/zinc/91/97/81/1405919781.db2.gz PAFMBHPCFFCNLU-ZWKOTPCHSA-N 2 0 333.520 2.988 10 30 EFEERP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)C[NH+](CC)CC)C2)CC1 ZINC001565922791 1415154342 /nfs/dbraw/zinc/15/43/42/1415154342.db2.gz STBTUIPEZKVNRZ-SJORKVTESA-N 2 0 339.499 2.555 10 30 EFEERP C=CCOc1cccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001560325472 1415277052 /nfs/dbraw/zinc/27/70/52/1415277052.db2.gz KSRJDAGPHGTRPT-SFHVURJKSA-N 2 0 329.488 2.510 10 30 EFEERP C=C[C@@H](COC)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560777397 1415296169 /nfs/dbraw/zinc/29/61/69/1415296169.db2.gz KCWQAXDKCLZKEQ-SFHVURJKSA-N 2 0 347.459 2.640 10 30 EFEERP C=C[C@H](COC)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560777396 1415296536 /nfs/dbraw/zinc/29/65/36/1415296536.db2.gz KCWQAXDKCLZKEQ-GOSISDBHSA-N 2 0 347.459 2.640 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001565627514 1415407840 /nfs/dbraw/zinc/40/78/40/1415407840.db2.gz PIJRJZQLLXLIEQ-UHFFFAOYSA-N 2 0 331.460 2.646 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001565831677 1415425278 /nfs/dbraw/zinc/42/52/78/1415425278.db2.gz LEBITJRJIWFPRN-IBGZPJMESA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001565885371 1415443635 /nfs/dbraw/zinc/44/36/35/1415443635.db2.gz YCEKKIZKZQVNDM-ZCNNSNEGSA-N 2 0 343.515 2.877 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001565923200 1415450506 /nfs/dbraw/zinc/45/05/06/1415450506.db2.gz WPZOGOMBCBASAE-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001565987284 1415471436 /nfs/dbraw/zinc/47/14/36/1415471436.db2.gz INXMCFBPABWNIW-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)CCCCCC)C(C)(C)[C@H]21 ZINC001565995006 1415474661 /nfs/dbraw/zinc/47/46/61/1415474661.db2.gz NCWHZJPRKJLUBD-HOJAQTOUSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001565994804 1415475184 /nfs/dbraw/zinc/47/51/84/1415475184.db2.gz KLPOLZDETNHKKG-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001566124403 1415522980 /nfs/dbraw/zinc/52/29/80/1415522980.db2.gz RSCRELNNLKBIJR-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001566674641 1415725637 /nfs/dbraw/zinc/72/56/37/1415725637.db2.gz XMGKAYBSSJCEPT-XLIONFOSSA-N 2 0 343.515 2.950 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001566699978 1415738626 /nfs/dbraw/zinc/73/86/26/1415738626.db2.gz UUFGSODAYJEWMT-ICSRJNTNSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001566757946 1415765394 /nfs/dbraw/zinc/76/53/94/1415765394.db2.gz VBNWZJBOTAFQFX-KDURUIRLSA-N 2 0 333.520 2.748 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001566916333 1415842227 /nfs/dbraw/zinc/84/22/27/1415842227.db2.gz KBXHZHDYMNFULM-KRWDZBQOSA-N 2 0 345.487 2.587 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](CC)c2ccccc2)CC1 ZINC001567081878 1415927873 /nfs/dbraw/zinc/92/78/73/1415927873.db2.gz CZGVALJVDNSMAW-XLIONFOSSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567124590 1415942352 /nfs/dbraw/zinc/94/23/52/1415942352.db2.gz JZPDDBZNLDWXNB-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001567178993 1415973671 /nfs/dbraw/zinc/97/36/71/1415973671.db2.gz ULDAIYIKDOETPS-VQTJNVASSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567386212 1416107148 /nfs/dbraw/zinc/10/71/48/1416107148.db2.gz CNZRBLGTMJXOFP-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001567633192 1416218786 /nfs/dbraw/zinc/21/87/86/1416218786.db2.gz HBIOGIDDVYTIMH-KRWDZBQOSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001567660387 1416234809 /nfs/dbraw/zinc/23/48/09/1416234809.db2.gz ZTSXYBNAOOCWJS-LJQANCHMSA-N 2 0 341.499 2.886 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001567683584 1416245591 /nfs/dbraw/zinc/24/55/91/1416245591.db2.gz XYRLXQOCEQMZRC-MOPGFXCFSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001567683589 1416246042 /nfs/dbraw/zinc/24/60/42/1416246042.db2.gz XYRLXQOCEQMZRC-RTBURBONSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567703120 1416255447 /nfs/dbraw/zinc/25/54/47/1416255447.db2.gz PMCVUFSOHTVZHJ-INIZCTEOSA-N 2 0 326.444 2.661 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001567703516 1416255580 /nfs/dbraw/zinc/25/55/80/1416255580.db2.gz VKZZHTZWGMRURX-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001567713158 1416258469 /nfs/dbraw/zinc/25/84/69/1416258469.db2.gz XTYKVLLIGLCGRW-IEBWSBKVSA-N 2 0 329.488 2.694 10 30 EFEERP C=CCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001568002371 1416356279 /nfs/dbraw/zinc/35/62/79/1416356279.db2.gz MEBDKPXFJUBDIZ-UHFFFAOYSA-N 2 0 326.444 2.851 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001568067764 1416391207 /nfs/dbraw/zinc/39/12/07/1416391207.db2.gz ILBFEOJJIRYZHB-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001568091883 1416406224 /nfs/dbraw/zinc/40/62/24/1416406224.db2.gz DTHKBGPHKQFVOF-RDJZCZTQSA-N 2 0 341.927 2.688 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001568130001 1416420895 /nfs/dbraw/zinc/42/08/95/1416420895.db2.gz PINYJVVTJUQYLG-OALUTQOASA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001568238060 1416451602 /nfs/dbraw/zinc/45/16/02/1416451602.db2.gz UEIHURIDFCVSEY-UHFFFAOYSA-N 2 0 333.520 2.847 10 30 EFEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001568330916 1416479619 /nfs/dbraw/zinc/47/96/19/1416479619.db2.gz HTXIRXHBELYOLJ-HKUYNNGSSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CCCCC)C2)CC1 ZINC001568416987 1416523912 /nfs/dbraw/zinc/52/39/12/1416523912.db2.gz QQLGEQZSOKYGOY-AZUAARDMSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001568431058 1416531950 /nfs/dbraw/zinc/53/19/50/1416531950.db2.gz DJAVJOUQGKWHQJ-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC(C)(C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001684145660 1416702734 /nfs/dbraw/zinc/70/27/34/1416702734.db2.gz BVTUFAPOYBDBPB-QGZVFWFLSA-N 2 0 338.540 2.646 10 30 EFEERP C=CC(C)(C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001684145658 1416702875 /nfs/dbraw/zinc/70/28/75/1416702875.db2.gz BVTUFAPOYBDBPB-KRWDZBQOSA-N 2 0 338.540 2.646 10 30 EFEERP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001690208525 1417174006 /nfs/dbraw/zinc/17/40/06/1417174006.db2.gz NOUBAMMCIFUNFE-KDURUIRLSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690254256 1417179147 /nfs/dbraw/zinc/17/91/47/1417179147.db2.gz UPHMYLAGSGAMIC-APWZRJJASA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001690418609 1417213681 /nfs/dbraw/zinc/21/36/81/1417213681.db2.gz UPXDHFJLJXPEGU-GOSISDBHSA-N 2 0 343.515 2.809 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791894 1417247870 /nfs/dbraw/zinc/24/78/70/1417247870.db2.gz JKMFLAIQJJOPAR-RBUKOAKNSA-N 2 0 329.488 2.742 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]2C1 ZINC001692265166 1417271237 /nfs/dbraw/zinc/27/12/37/1417271237.db2.gz RMYGMIDFWRHDOM-CEXWTWQISA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001698700579 1417313062 /nfs/dbraw/zinc/31/30/62/1417313062.db2.gz VKGHWUITXNDEEG-IBGZPJMESA-N 2 0 343.515 2.809 10 30 EFEERP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001698712903 1417317351 /nfs/dbraw/zinc/31/73/51/1417317351.db2.gz FZDFRNGKRWLIHT-MXVIHJGJSA-N 2 0 343.515 2.754 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698752120 1417328454 /nfs/dbraw/zinc/32/84/54/1417328454.db2.gz HYSGXVXSQDZRJJ-GJZGRUSLSA-N 2 0 328.460 2.953 10 30 EFEERP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001699674428 1417447872 /nfs/dbraw/zinc/44/78/72/1417447872.db2.gz WAJPJAXOAIANBZ-WOJBJXKFSA-N 2 0 345.531 2.589 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699682663 1417449472 /nfs/dbraw/zinc/44/94/72/1417449472.db2.gz SWVZOHGXLHLJHA-OKYOBFRVSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001699682776 1417449956 /nfs/dbraw/zinc/44/99/56/1417449956.db2.gz ROVXHCOYKWSNAC-MOPGFXCFSA-N 2 0 333.520 2.894 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001699690077 1417454236 /nfs/dbraw/zinc/45/42/36/1417454236.db2.gz ZEPDFKPAEUDHIQ-UHFFFAOYSA-N 2 0 333.520 2.607 10 30 EFEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001699785176 1417468478 /nfs/dbraw/zinc/46/84/78/1417468478.db2.gz GYVUGZXDMMJDGT-MOPGFXCFSA-N 2 0 345.531 2.609 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001699865855 1417484871 /nfs/dbraw/zinc/48/48/71/1417484871.db2.gz KXZHJTGZQLDMEN-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001699929799 1417510882 /nfs/dbraw/zinc/51/08/82/1417510882.db2.gz AJPLHINJJYOCGA-FXAWDEMLSA-N 2 0 343.515 2.914 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001699944105 1417517506 /nfs/dbraw/zinc/51/75/06/1417517506.db2.gz KNSAYEUCEMJESP-QUCCMNQESA-N 2 0 343.515 2.564 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001699971084 1417531295 /nfs/dbraw/zinc/53/12/95/1417531295.db2.gz WPZAJANNRJTPQT-HKUYNNGSSA-N 2 0 335.536 2.759 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699980178 1417535919 /nfs/dbraw/zinc/53/59/19/1417535919.db2.gz WUZBSODGUNGTNR-UAFMIMERSA-N 2 0 345.531 2.539 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001699981562 1417536148 /nfs/dbraw/zinc/53/61/48/1417536148.db2.gz JIISSEKHGSLYAP-BJLQDIEVSA-N 2 0 333.520 2.561 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001700094860 1417565175 /nfs/dbraw/zinc/56/51/75/1417565175.db2.gz OIOSOWHXZBVGJW-FFZOFVMBSA-N 2 0 341.499 2.707 10 30 EFEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001700100591 1417569904 /nfs/dbraw/zinc/56/99/04/1417569904.db2.gz WBLUQPUCSGECFU-INIZCTEOSA-N 2 0 329.488 2.871 10 30 EFEERP C=CC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001700863994 1417666139 /nfs/dbraw/zinc/66/61/39/1417666139.db2.gz CLIQXYDLGVZGSZ-XLIONFOSSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001700942190 1417691553 /nfs/dbraw/zinc/69/15/53/1417691553.db2.gz LKOQTZALHUKVSV-MOPGFXCFSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001707188833 1418228103 /nfs/dbraw/zinc/22/81/03/1418228103.db2.gz IZKAWZTZRIQESA-WOJBJXKFSA-N 2 0 343.515 2.879 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713163397 1418347008 /nfs/dbraw/zinc/34/70/08/1418347008.db2.gz JTFQBNCTLQUDNR-BPUTZDHNSA-N 2 0 326.444 2.848 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001713169083 1418350236 /nfs/dbraw/zinc/35/02/36/1418350236.db2.gz HAEQSRSSQMWEDV-WTGUMLROSA-N 2 0 341.499 2.535 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001713184287 1418364591 /nfs/dbraw/zinc/36/45/91/1418364591.db2.gz DAKJBRJMTSNLCQ-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713242872 1418411260 /nfs/dbraw/zinc/41/12/60/1418411260.db2.gz VTPNUJADNUBNIH-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001713242181 1418411376 /nfs/dbraw/zinc/41/13/76/1418411376.db2.gz OODAWJRJZXNIBQ-GOSISDBHSA-N 2 0 335.536 2.881 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713246732 1418415266 /nfs/dbraw/zinc/41/52/66/1418415266.db2.gz SKPVTGDVGFCMKE-SFHVURJKSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001713263893 1418432170 /nfs/dbraw/zinc/43/21/70/1418432170.db2.gz NVRNJENDQHQPLA-INIZCTEOSA-N 2 0 326.444 2.803 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001713265094 1418432750 /nfs/dbraw/zinc/43/27/50/1418432750.db2.gz RIZMCEHDVMTFQA-IBGZPJMESA-N 2 0 343.515 2.951 10 30 EFEERP CC#CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001713294112 1418459082 /nfs/dbraw/zinc/45/90/82/1418459082.db2.gz WSXOATCGGRVUPW-CTWPCTMYSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001713430138 1418524699 /nfs/dbraw/zinc/52/46/99/1418524699.db2.gz BDWKMDKHIJCRSD-OALUTQOASA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001714516696 1418607184 /nfs/dbraw/zinc/60/71/84/1418607184.db2.gz HPTCXUVSXJQQOL-GOSISDBHSA-N 2 0 344.503 2.699 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001716638220 1418933968 /nfs/dbraw/zinc/93/39/68/1418933968.db2.gz XTJFQQJDHFERAL-OALUTQOASA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCCCCC3)CC2)CC1 ZINC001716700582 1418961877 /nfs/dbraw/zinc/96/18/77/1418961877.db2.gz JAWZCDGIKGDXTF-UHFFFAOYSA-N 2 0 345.531 2.540 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001716703827 1418962822 /nfs/dbraw/zinc/96/28/22/1418962822.db2.gz HVEIPPCGNQCSAQ-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001716706523 1418965375 /nfs/dbraw/zinc/96/53/75/1418965375.db2.gz QSJLEAKWFZGOQD-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001716706521 1418965538 /nfs/dbraw/zinc/96/55/38/1418965538.db2.gz QSJLEAKWFZGOQD-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001716708010 1418966106 /nfs/dbraw/zinc/96/61/06/1418966106.db2.gz LNNUXBMBQAIHAD-XUBOLADHSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001716707913 1418966114 /nfs/dbraw/zinc/96/61/14/1418966114.db2.gz ICVUFEWOVMEHPL-IPQPSQTFSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001716731880 1418981862 /nfs/dbraw/zinc/98/18/62/1418981862.db2.gz QCZBWMNFMBZREE-IEBWSBKVSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001716734925 1418984253 /nfs/dbraw/zinc/98/42/53/1418984253.db2.gz GDSLPSROUXIULK-CTNGQTDRSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001716811662 1419024816 /nfs/dbraw/zinc/02/48/16/1419024816.db2.gz IATAJHJNEQJRFV-KDURUIRLSA-N 2 0 347.547 2.832 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CC=C(C)C)CC1 ZINC001716811636 1419024867 /nfs/dbraw/zinc/02/48/67/1419024867.db2.gz HFIWHIXKZSDEEP-RTBURBONSA-N 2 0 345.531 2.752 10 30 EFEERP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC=C(C)C)CC1 ZINC001716811634 1419024869 /nfs/dbraw/zinc/02/48/69/1419024869.db2.gz HFIWHIXKZSDEEP-KDURUIRLSA-N 2 0 345.531 2.752 10 30 EFEERP C#CCN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001716811750 1419025136 /nfs/dbraw/zinc/02/51/36/1419025136.db2.gz LFSUNCHFYUGBRD-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001716812053 1419025192 /nfs/dbraw/zinc/02/51/92/1419025192.db2.gz XTQPVCLBEXYGMS-UHFFFAOYSA-N 2 0 345.531 2.755 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001716818053 1419029285 /nfs/dbraw/zinc/02/92/85/1419029285.db2.gz VUAONPFJGZWYNU-UXHICEINSA-N 2 0 345.531 2.681 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001716818055 1419029394 /nfs/dbraw/zinc/02/93/94/1419029394.db2.gz VUAONPFJGZWYNU-WOJBJXKFSA-N 2 0 345.531 2.681 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001716871527 1419067277 /nfs/dbraw/zinc/06/72/77/1419067277.db2.gz KMKGOTHYXTYKDN-IBGZPJMESA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716896522 1419084218 /nfs/dbraw/zinc/08/42/18/1419084218.db2.gz UMMVNSVIIJARPU-AZUAARDMSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001716901121 1419086747 /nfs/dbraw/zinc/08/67/47/1419086747.db2.gz BIJNFLQDPQUAOS-MJGOQNOKSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001716987447 1419126715 /nfs/dbraw/zinc/12/67/15/1419126715.db2.gz KBGSPLJNYOSJEO-MSOLQXFVSA-N 2 0 335.536 2.759 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001716993093 1419130001 /nfs/dbraw/zinc/13/00/01/1419130001.db2.gz FMWPCMLHHZYSSO-XLIONFOSSA-N 2 0 347.547 2.759 10 30 EFEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001716998121 1419134000 /nfs/dbraw/zinc/13/40/00/1419134000.db2.gz IZUPCVDLJMYEAX-BCDXTJNWSA-N 2 0 333.520 2.796 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001717001491 1419137371 /nfs/dbraw/zinc/13/73/71/1419137371.db2.gz CQCWYVVPOHEWLW-WGSAOQKQSA-N 2 0 347.547 2.786 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001717002446 1419137965 /nfs/dbraw/zinc/13/79/65/1419137965.db2.gz ULABHOOFQYEZLM-MUGJNUQGSA-N 2 0 345.531 2.539 10 30 EFEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001717007282 1419143844 /nfs/dbraw/zinc/14/38/44/1419143844.db2.gz VOILFUSXDIRYCP-UHFFFAOYSA-N 2 0 349.906 2.699 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001717036507 1419169274 /nfs/dbraw/zinc/16/92/74/1419169274.db2.gz URKWCMLTFACUSO-PMACEKPBSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001717106049 1419211374 /nfs/dbraw/zinc/21/13/74/1419211374.db2.gz IADZEKDFSAKJCD-LJQANCHMSA-N 2 0 347.547 2.903 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111226 1419215864 /nfs/dbraw/zinc/21/58/64/1419215864.db2.gz NWMVSCFAPSVIHB-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001717123520 1419224927 /nfs/dbraw/zinc/22/49/27/1419224927.db2.gz HBLFNYZDUFCAAC-IYARVYRRSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001717130570 1419228893 /nfs/dbraw/zinc/22/88/93/1419228893.db2.gz YVZLUWSXIOLDBO-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001717270466 1419300073 /nfs/dbraw/zinc/30/00/73/1419300073.db2.gz YMHQXNMSWSMMPU-UHFFFAOYSA-N 2 0 339.483 2.516 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001717340923 1419341680 /nfs/dbraw/zinc/34/16/80/1419341680.db2.gz JOGHCPVUESXYQY-NSHGMRRFSA-N 2 0 341.499 2.638 10 30 EFEERP C=CCCC[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001717356725 1419351430 /nfs/dbraw/zinc/35/14/30/1419351430.db2.gz JHCAQGRRTVNOHC-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377241 1419369160 /nfs/dbraw/zinc/36/91/60/1419369160.db2.gz AQXXKXJKZZGKFZ-RTBURBONSA-N 2 0 345.531 2.609 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001717516538 1419423366 /nfs/dbraw/zinc/42/33/66/1419423366.db2.gz JXHYZPOPWAJELZ-LJQANCHMSA-N 2 0 335.536 2.593 10 30 EFEERP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001717537521 1419433827 /nfs/dbraw/zinc/43/38/27/1419433827.db2.gz GLOXTIYQTFTJML-DLBZAZTESA-N 2 0 327.488 2.603 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001717551701 1419440925 /nfs/dbraw/zinc/44/09/25/1419440925.db2.gz YBBUUEHGGZKSHK-AWEZNQCLSA-N 2 0 335.517 2.826 10 30 EFEERP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001717629072 1419477870 /nfs/dbraw/zinc/47/78/70/1419477870.db2.gz JKILMCBCCYPPNG-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001717706228 1419518871 /nfs/dbraw/zinc/51/88/71/1419518871.db2.gz XITVNBLRAQIHJL-UHFFFAOYSA-N 2 0 345.487 2.681 10 30 EFEERP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001717743392 1419533073 /nfs/dbraw/zinc/53/30/73/1419533073.db2.gz FYUSTRXVJBVPSJ-SXLOBPIMSA-N 2 0 343.515 2.735 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001717847822 1419576590 /nfs/dbraw/zinc/57/65/90/1419576590.db2.gz LPQIPNJVRXFBKN-IPMKNSEASA-N 2 0 345.531 2.798 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001717909511 1419615272 /nfs/dbraw/zinc/61/52/72/1419615272.db2.gz RRBDTXKRSBDVOP-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001717998373 1419648795 /nfs/dbraw/zinc/64/87/95/1419648795.db2.gz FZHYXZBDQMJNNA-ACBHZAAOSA-N 2 0 329.488 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC=C)[C@H](CC)C2)CC1 ZINC001723386044 1424483003 /nfs/dbraw/zinc/48/30/03/1424483003.db2.gz PSEQZROAVNAVND-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001723450970 1424499813 /nfs/dbraw/zinc/49/98/13/1424499813.db2.gz MDEDEPCOUYFNJM-RBUKOAKNSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001723608678 1424533035 /nfs/dbraw/zinc/53/30/35/1424533035.db2.gz RLEYVBVRCSNNBN-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001723610264 1424535047 /nfs/dbraw/zinc/53/50/47/1424535047.db2.gz WAAWXQJJLZFCQU-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001723632674 1424540853 /nfs/dbraw/zinc/54/08/53/1424540853.db2.gz LBRUSCVSMUBNJB-SQNIBIBYSA-N 2 0 339.499 2.698 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001723905067 1424606697 /nfs/dbraw/zinc/60/66/97/1424606697.db2.gz FRIZWVLNEWEPLA-INIZCTEOSA-N 2 0 335.517 2.970 10 30 EFEERP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001724047200 1424634953 /nfs/dbraw/zinc/63/49/53/1424634953.db2.gz LFJPNYIKHRNUNT-IBGZPJMESA-N 2 0 345.531 2.753 10 30 EFEERP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001724125273 1424666670 /nfs/dbraw/zinc/66/66/70/1424666670.db2.gz CDLWVYMXYCDAMO-PKOBYXMFSA-N 2 0 339.499 2.557 10 30 EFEERP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001724126746 1424668121 /nfs/dbraw/zinc/66/81/21/1424668121.db2.gz WTBOCJDKSFSCQL-OAQYLSRUSA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724258325 1424715300 /nfs/dbraw/zinc/71/53/00/1424715300.db2.gz HBJVWEBKVLOZGK-HXUWFJFHSA-N 2 0 333.520 2.513 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001724271573 1424718699 /nfs/dbraw/zinc/71/86/99/1424718699.db2.gz DFODYURVWRLXNT-RXVVDRJESA-N 2 0 345.531 2.515 10 30 EFEERP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001724274657 1424719603 /nfs/dbraw/zinc/71/96/03/1424719603.db2.gz XVTCTAJKGUZIQL-LJQANCHMSA-N 2 0 333.476 2.749 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCCC(C)C)C2)CC1 ZINC001724274663 1424719712 /nfs/dbraw/zinc/71/97/12/1424719712.db2.gz XWSDRROJZCGBOO-OAQYLSRUSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724285618 1424722541 /nfs/dbraw/zinc/72/25/41/1424722541.db2.gz OKGUOPRMTJWCTK-KZNAEPCWSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001724300355 1424724440 /nfs/dbraw/zinc/72/44/40/1424724440.db2.gz DEPDNNGLPWESAM-UHFFFAOYSA-N 2 0 329.488 2.766 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724301990 1424725562 /nfs/dbraw/zinc/72/55/62/1424725562.db2.gz VDAUKVDNABDFEY-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001724510961 1424776144 /nfs/dbraw/zinc/77/61/44/1424776144.db2.gz CICVYCINRGQBPC-POAQFYNOSA-N 2 0 343.515 2.912 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511105 1424776230 /nfs/dbraw/zinc/77/62/30/1424776230.db2.gz FWDXKBXQXQMZJP-MJGOQNOKSA-N 2 0 329.488 2.524 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724545575 1424790366 /nfs/dbraw/zinc/79/03/66/1424790366.db2.gz BVZROJCBKOYWDH-QFBILLFUSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564995 1424799555 /nfs/dbraw/zinc/79/95/55/1424799555.db2.gz WFCWMMCCDAXZRY-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724613400 1424834452 /nfs/dbraw/zinc/83/44/52/1424834452.db2.gz VKZPYHIHVODDPT-CADBVGFASA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001724614139 1424836030 /nfs/dbraw/zinc/83/60/30/1424836030.db2.gz AKSOALIRLDLVFC-UHFFFAOYSA-N 2 0 329.488 2.523 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001724621953 1424847440 /nfs/dbraw/zinc/84/74/40/1424847440.db2.gz DHHOTJYXQWIMPV-HDICACEKSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CCCCCC)C[C@H]2C1 ZINC001724626013 1424851149 /nfs/dbraw/zinc/85/11/49/1424851149.db2.gz ACDNBAHHOQALMU-CALCHBBNSA-N 2 0 341.927 2.641 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001724647304 1424875926 /nfs/dbraw/zinc/87/59/26/1424875926.db2.gz IZXTZKBALOVUGE-GUDVDZBRSA-N 2 0 333.520 2.892 10 30 EFEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001724738394 1424964224 /nfs/dbraw/zinc/96/42/24/1424964224.db2.gz KYOVPHBIVJMARX-GOSISDBHSA-N 2 0 341.499 2.632 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749569 1424979053 /nfs/dbraw/zinc/97/90/53/1424979053.db2.gz NONWXFFOKOQEEG-XLIONFOSSA-N 2 0 341.499 2.850 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001724752206 1424981550 /nfs/dbraw/zinc/98/15/50/1424981550.db2.gz PXVOLRYDESFZIG-VJANTYMQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)CC1 ZINC001724760007 1424990311 /nfs/dbraw/zinc/99/03/11/1424990311.db2.gz PCTVYHHWUUJRLF-MOPGFXCFSA-N 2 0 345.531 2.894 10 30 EFEERP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCC1 ZINC001724799364 1425020524 /nfs/dbraw/zinc/02/05/24/1425020524.db2.gz SXAJPVMHZVUUBM-GOSISDBHSA-N 2 0 329.488 2.884 10 30 EFEERP CC#CC[NH+]1CCC(CCCCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724891594 1425105265 /nfs/dbraw/zinc/10/52/65/1425105265.db2.gz CCIGIQXUEYIRTL-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001724898094 1425116148 /nfs/dbraw/zinc/11/61/48/1425116148.db2.gz LSTMRLNXFBZFFR-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001724948238 1425156069 /nfs/dbraw/zinc/15/60/69/1425156069.db2.gz UYHSDRREFDHDRY-FXAWDEMLSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001724970082 1425178227 /nfs/dbraw/zinc/17/82/27/1425178227.db2.gz LAOJRSKQIRJUHT-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001724997970 1425208990 /nfs/dbraw/zinc/20/89/90/1425208990.db2.gz BLDACGAKVDQZBL-WBVHZDCISA-N 2 0 332.492 2.976 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001725032144 1425241306 /nfs/dbraw/zinc/24/13/06/1425241306.db2.gz BLKXMQQDTWUTAQ-GUDVDZBRSA-N 2 0 329.488 2.665 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001725039166 1425250367 /nfs/dbraw/zinc/25/03/67/1425250367.db2.gz CBZBXMVHIPKCNR-KRWDZBQOSA-N 2 0 326.444 2.755 10 30 EFEERP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001725050616 1425261689 /nfs/dbraw/zinc/26/16/89/1425261689.db2.gz BKPBULAHGMYCQR-VQTJNVASSA-N 2 0 341.499 2.626 10 30 EFEERP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001725180436 1425359592 /nfs/dbraw/zinc/35/95/92/1425359592.db2.gz LPSIOJSGPAMJGP-RLLQIKCJSA-N 2 0 343.515 2.735 10 30 EFEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001725211006 1425380328 /nfs/dbraw/zinc/38/03/28/1425380328.db2.gz AQRHUTOILCDKQW-OALUTQOASA-N 2 0 335.536 2.735 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001725211010 1425380525 /nfs/dbraw/zinc/38/05/25/1425380525.db2.gz AQRHUTOILCDKQW-RTBURBONSA-N 2 0 335.536 2.735 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001725215950 1425384705 /nfs/dbraw/zinc/38/47/05/1425384705.db2.gz YWFNHCYUXODELP-OALUTQOASA-N 2 0 335.536 2.593 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725251206 1425415301 /nfs/dbraw/zinc/41/53/01/1425415301.db2.gz BGYQAYIMPFWGEK-QFBILLFUSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001725270981 1425427840 /nfs/dbraw/zinc/42/78/40/1425427840.db2.gz XPHUUYAIAZTUGZ-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC001725306971 1425457121 /nfs/dbraw/zinc/45/71/21/1425457121.db2.gz LWSCNYKPVZKYNB-OSYLJGHBSA-N 2 0 347.528 2.684 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001725322674 1425467088 /nfs/dbraw/zinc/46/70/88/1425467088.db2.gz VQNPQMSHKVPRBT-LDLYASANSA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725336663 1425481234 /nfs/dbraw/zinc/48/12/34/1425481234.db2.gz VNVPZBTUMGOTSD-IPMKNSEASA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001725442708 1425584967 /nfs/dbraw/zinc/58/49/67/1425584967.db2.gz LYBNQNDTDLZMJD-AZUAARDMSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H]([NH2+]CC2CCCC2)C(C)C)CC1 ZINC001725447498 1425587250 /nfs/dbraw/zinc/58/72/50/1425587250.db2.gz SBNVOBQFBLHDNU-HXUWFJFHSA-N 2 0 347.547 2.642 10 30 EFEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725454793 1425591921 /nfs/dbraw/zinc/59/19/21/1425591921.db2.gz QZJVWAQIRPATNJ-IEBWSBKVSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001725627723 1425724863 /nfs/dbraw/zinc/72/48/63/1425724863.db2.gz OTGXLGCJCICERE-HSALFYBXSA-N 2 0 347.547 2.900 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001725670746 1425768394 /nfs/dbraw/zinc/76/83/94/1425768394.db2.gz ZCQSPPRHGFNZCI-MJGOQNOKSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725739882 1425808332 /nfs/dbraw/zinc/80/83/32/1425808332.db2.gz NGNVTIWXURWAOW-ZWKOTPCHSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001725789754 1425854136 /nfs/dbraw/zinc/85/41/36/1425854136.db2.gz MYJXWTGQMPDXAY-QHGAOEGBSA-N 2 0 347.547 2.593 10 30 EFEERP C[NH+](C)Cc1ccc(C[NH2+]CC2(CC#N)CC2)c2c1OC(F)(F)O2 ZINC000894643796 722806896 /nfs/dbraw/zinc/80/68/96/722806896.db2.gz IBAMQSLSMCYJJA-UHFFFAOYSA-N 2 0 337.370 2.853 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000908155549 727105271 /nfs/dbraw/zinc/10/52/71/727105271.db2.gz LACMFDGQIGBMOY-MRXNPFEDSA-N 2 0 337.895 2.609 10 30 EFEERP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158239 727875489 /nfs/dbraw/zinc/87/54/89/727875489.db2.gz MCPHHBYDXJOMAZ-IBGZPJMESA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236966 727925741 /nfs/dbraw/zinc/92/57/41/727925741.db2.gz DPYICNPDPBOBCP-LJQANCHMSA-N 2 0 341.499 2.602 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780210 728249982 /nfs/dbraw/zinc/24/99/82/728249982.db2.gz LOLOLLMVDWNRDY-MRXNPFEDSA-N 2 0 347.528 2.663 10 30 EFEERP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940801942 728251985 /nfs/dbraw/zinc/25/19/85/728251985.db2.gz ZZAAYLSMQOXKNY-ROUUACIJSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940859148 728297153 /nfs/dbraw/zinc/29/71/53/728297153.db2.gz RYAALPCRDBOGBX-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940971719 728344522 /nfs/dbraw/zinc/34/45/22/728344522.db2.gz ARJYTGHRDJKTSW-OALUTQOASA-N 2 0 345.531 2.633 10 30 EFEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972262 728344558 /nfs/dbraw/zinc/34/45/58/728344558.db2.gz KEESVERHDRLGGA-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001569403530 1085184149 /nfs/dbraw/zinc/18/41/49/1085184149.db2.gz PAUYGYZIVDBAPB-FUHWJXTLSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001569434160 1085203937 /nfs/dbraw/zinc/20/39/37/1085203937.db2.gz HJQYVROYQVCDCE-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001569452013 1085235749 /nfs/dbraw/zinc/23/57/49/1085235749.db2.gz KWHGITDECJGKQY-RBUKOAKNSA-N 2 0 333.520 2.606 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001569451608 1085236351 /nfs/dbraw/zinc/23/63/51/1085236351.db2.gz DGACDEDJKHMYPC-HXUWFJFHSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001569471142 1085269127 /nfs/dbraw/zinc/26/91/27/1085269127.db2.gz UIDKVZMQTCLQHU-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001569519788 1085331972 /nfs/dbraw/zinc/33/19/72/1085331972.db2.gz VXDVIKIDSVYMRR-ZBFHGGJFSA-N 2 0 326.444 2.802 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001569593899 1085416715 /nfs/dbraw/zinc/41/67/15/1085416715.db2.gz OYCOUXNKDOQXBP-QUCCMNQESA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001569596035 1085419994 /nfs/dbraw/zinc/41/99/94/1085419994.db2.gz LANPWBGQYXGOAX-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001569613216 1085438814 /nfs/dbraw/zinc/43/88/14/1085438814.db2.gz BZPUSIDUBGQOFF-PMACEKPBSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001569621057 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/nfs/dbraw/zinc/76/69/81/1085766981.db2.gz GKMZMQZPDSQRLY-INDMIFKZSA-N 2 0 333.520 2.606 10 30 EFEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001570028185 1085877351 /nfs/dbraw/zinc/87/73/51/1085877351.db2.gz MQQHVVJGJPVDIL-HDICACEKSA-N 2 0 341.499 2.631 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001570033208 1085886110 /nfs/dbraw/zinc/88/61/10/1085886110.db2.gz OMXNQNDFPXKPCI-FXAWDEMLSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001570312509 1086142483 /nfs/dbraw/zinc/14/24/83/1086142483.db2.gz FMNVBDIVWWQVKO-UHFFFAOYSA-N 2 0 327.472 2.679 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001570347121 1086157607 /nfs/dbraw/zinc/15/76/07/1086157607.db2.gz UXSCADDJZCMJDT-KSSFIOAISA-N 2 0 326.444 2.659 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001570363487 1086169297 /nfs/dbraw/zinc/16/92/97/1086169297.db2.gz CBBHHUUOGGFAAR-QWCIBIBSSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001570400303 1086205871 /nfs/dbraw/zinc/20/58/71/1086205871.db2.gz WMMOXAGOAUTQNI-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001570572183 1086375141 /nfs/dbraw/zinc/37/51/41/1086375141.db2.gz VZDMUVGNWILHOF-LADRWXRNSA-N 2 0 339.499 2.650 10 30 EFEERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001570641510 1086429771 /nfs/dbraw/zinc/42/97/71/1086429771.db2.gz MTNTWQKYPFJCHV-HOTGVXAUSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001570661270 1086444142 /nfs/dbraw/zinc/44/41/42/1086444142.db2.gz STBGQMPFEIPJCO-UHFFFAOYSA-N 2 0 333.520 2.632 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001570775482 1086511144 /nfs/dbraw/zinc/51/11/44/1086511144.db2.gz SPYKQWXXPJPJSV-GOSISDBHSA-N 2 0 335.536 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC[C@@H]([NH2+]CC2CCC2)C(C)C)CC1 ZINC001570781684 1086516066 /nfs/dbraw/zinc/51/60/66/1086516066.db2.gz WLINPVGEFJVEFU-HXUWFJFHSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001570856572 1086572176 /nfs/dbraw/zinc/57/21/76/1086572176.db2.gz YHCRPLYQFBWZDW-INIZCTEOSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001570859768 1086573551 /nfs/dbraw/zinc/57/35/51/1086573551.db2.gz FEZWUOLIZSNGNX-LPHOPBHVSA-N 2 0 329.488 2.692 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571016352 1086641996 /nfs/dbraw/zinc/64/19/96/1086641996.db2.gz SJUZWUHCUSTOEX-KSZLIROESA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571016355 1086642597 /nfs/dbraw/zinc/64/25/97/1086642597.db2.gz SJUZWUHCUSTOEX-RCCFBDPRSA-N 2 0 333.520 2.654 10 30 EFEERP C=CC[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001571039295 1086653187 /nfs/dbraw/zinc/65/31/87/1086653187.db2.gz OYVBCZBIYQGJGP-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC001571067998 1086658904 /nfs/dbraw/zinc/65/89/04/1086658904.db2.gz CMNJCXZQFFAYMV-KVPLUYHFSA-N 2 0 335.536 2.852 10 30 EFEERP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001571336051 1086734731 /nfs/dbraw/zinc/73/47/31/1086734731.db2.gz HVJTZQBQCXTPKT-UHFFFAOYSA-N 2 0 341.927 2.928 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001571347347 1086745924 /nfs/dbraw/zinc/74/59/24/1086745924.db2.gz RGVCZGXRECYWGG-UYAOXDASSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001571371371 1086765442 /nfs/dbraw/zinc/76/54/42/1086765442.db2.gz OKDONCXEHNOFOK-IBGZPJMESA-N 2 0 333.520 2.511 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001571537401 1086944468 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WIXQOTMNGHWBKU-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)c(F)c1 ZINC001571704259 1087078163 /nfs/dbraw/zinc/07/81/63/1087078163.db2.gz MXWFIXKZXGTWCL-IBGZPJMESA-N 2 0 347.478 2.982 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267048115 1092459389 /nfs/dbraw/zinc/45/93/89/1092459389.db2.gz SBQAEMFWSBQNQK-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267058987 1092498728 /nfs/dbraw/zinc/49/87/28/1092498728.db2.gz XFJFUGJWTMPXFJ-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001267095989 1092680014 /nfs/dbraw/zinc/68/00/14/1092680014.db2.gz BJWHWMFIGAYQAX-UHFFFAOYSA-N 2 0 348.450 2.891 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267104880 1092736372 /nfs/dbraw/zinc/73/63/72/1092736372.db2.gz VTIHDCOLJYCWEY-MOPGFXCFSA-N 2 0 333.520 2.892 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267163874 1093010858 /nfs/dbraw/zinc/01/08/58/1093010858.db2.gz BJJPNPYDQVQLJB-SJORKVTESA-N 2 0 341.927 2.973 10 30 EFEERP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267176495 1093074945 /nfs/dbraw/zinc/07/49/45/1093074945.db2.gz IXLGDUUIPSYHSX-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001267196750 1093159665 /nfs/dbraw/zinc/15/96/65/1093159665.db2.gz MVTUQKQCRCWSMH-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267217189 1093227748 /nfs/dbraw/zinc/22/77/48/1093227748.db2.gz AEUSAZHPWXDGKJ-YJBOKZPZSA-N 2 0 327.488 2.602 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250159 1093368110 /nfs/dbraw/zinc/36/81/10/1093368110.db2.gz HKOYKOZWJMQWND-APWZRJJASA-N 2 0 341.515 2.992 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267278795 1093458417 /nfs/dbraw/zinc/45/84/17/1093458417.db2.gz QRLYIXVNRBZOLV-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001267376410 1094369529 /nfs/dbraw/zinc/36/95/29/1094369529.db2.gz DALKDWJUNNDJFD-HKUYNNGSSA-N 2 0 329.488 2.884 10 30 EFEERP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001267604130 1094413420 /nfs/dbraw/zinc/41/34/20/1094413420.db2.gz KAIPVUIFEWVVIA-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC001267382638 1094427878 /nfs/dbraw/zinc/42/78/78/1094427878.db2.gz RVNZSZAEGXREFB-SFTDATJTSA-N 2 0 349.478 2.760 10 30 EFEERP CCCCCCC[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001279668894 1094443740 /nfs/dbraw/zinc/44/37/40/1094443740.db2.gz KTENHFJDKFMGKF-UHFFFAOYSA-N 2 0 333.520 2.801 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481104131 1094536042 /nfs/dbraw/zinc/53/60/42/1094536042.db2.gz RQFZPKUYDXQZJP-GOSISDBHSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481125619 1094848256 /nfs/dbraw/zinc/84/82/56/1094848256.db2.gz DPMNPASSZVDQFX-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496877 1094937743 /nfs/dbraw/zinc/93/77/43/1094937743.db2.gz URQUQHOZWFPOIB-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267492775 1094952338 /nfs/dbraw/zinc/95/23/38/1094952338.db2.gz MIASHTUVGPIFCJ-IRXDYDNUSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001267494903 1094973793 /nfs/dbraw/zinc/97/37/93/1094973793.db2.gz GIXLSRUVXGKQNY-MRXNPFEDSA-N 2 0 345.487 2.585 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001267495998 1094983256 /nfs/dbraw/zinc/98/32/56/1094983256.db2.gz JVYWVYYOKOYIGO-QUCCMNQESA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001481170124 1095104252 /nfs/dbraw/zinc/10/42/52/1095104252.db2.gz FIQPLFFUZBACQR-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CCN[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267522451 1095242493 /nfs/dbraw/zinc/24/24/93/1095242493.db2.gz GRANKSAMIKSPRU-UXHICEINSA-N 2 0 341.499 2.720 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001268121434 1095413057 /nfs/dbraw/zinc/41/30/57/1095413057.db2.gz ACMYUBXEFMNZEZ-IEBWSBKVSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001267686386 1095448617 /nfs/dbraw/zinc/44/86/17/1095448617.db2.gz QLNFFQNIHVNRAW-MOPGFXCFSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001267686390 1095448818 /nfs/dbraw/zinc/44/88/18/1095448818.db2.gz QLNFFQNIHVNRAW-RBUKOAKNSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267547387 1095457628 /nfs/dbraw/zinc/45/76/28/1095457628.db2.gz MIUIFMXVADDTEQ-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267547475 1095457654 /nfs/dbraw/zinc/45/76/54/1095457654.db2.gz YDXFPXGVCOZXFF-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267547479 1095458090 /nfs/dbraw/zinc/45/80/90/1095458090.db2.gz YDXFPXGVCOZXFF-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267547391 1095458168 /nfs/dbraw/zinc/45/81/68/1095458168.db2.gz MIUIFMXVADDTEQ-RBUKOAKNSA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267690678 1095464619 /nfs/dbraw/zinc/46/46/19/1095464619.db2.gz QCIYGRVSZMPQJL-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267548820 1095464910 /nfs/dbraw/zinc/46/49/10/1095464910.db2.gz NHLCISOUVMFVLA-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001268141139 1095489446 /nfs/dbraw/zinc/48/94/46/1095489446.db2.gz KDFDOWULDPPOPB-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)CC1 ZINC001268141480 1095491456 /nfs/dbraw/zinc/49/14/56/1095491456.db2.gz LDKNDOHBTRHFBL-PKOBYXMFSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267558217 1095523150 /nfs/dbraw/zinc/52/31/50/1095523150.db2.gz URICAJDRRXMXMG-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268157031 1095567957 /nfs/dbraw/zinc/56/79/57/1095567957.db2.gz UDMSVCJNWURMHL-RTBURBONSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267708933 1095568419 /nfs/dbraw/zinc/56/84/19/1095568419.db2.gz RSTOKYDMCAKBRG-KRWDZBQOSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001267567263 1095589323 /nfs/dbraw/zinc/58/93/23/1095589323.db2.gz AEPLXOWPZXIYCB-SFHVURJKSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268162435 1095599476 /nfs/dbraw/zinc/59/94/76/1095599476.db2.gz MDSVSUYLOJXXKT-ICSRJNTNSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267571523 1095695214 /nfs/dbraw/zinc/69/52/14/1095695214.db2.gz NCOGAAZANSUUPI-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001268198074 1096077879 /nfs/dbraw/zinc/07/78/79/1096077879.db2.gz PVOYAECKPOFADN-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001268224904 1096129898 /nfs/dbraw/zinc/12/98/98/1096129898.db2.gz QTSMNGHEBLMMMC-QFBILLFUSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001268224903 1096130060 /nfs/dbraw/zinc/13/00/60/1096130060.db2.gz QTSMNGHEBLMMMC-LPHOPBHVSA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001268265814 1096213137 /nfs/dbraw/zinc/21/31/37/1096213137.db2.gz BMDDUNRVFUWOOH-OALUTQOASA-N 2 0 333.520 2.751 10 30 EFEERP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001268267660 1096214455 /nfs/dbraw/zinc/21/44/55/1096214455.db2.gz OKNFEZOHURKZJU-QUCCMNQESA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268287533 1096262611 /nfs/dbraw/zinc/26/26/11/1096262611.db2.gz HAZSYKOUNURFKW-WOJBJXKFSA-N 2 0 347.547 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268289819 1096270008 /nfs/dbraw/zinc/27/00/08/1096270008.db2.gz RLYYKRLXQYTQFN-RBUKOAKNSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268378170 1096433024 /nfs/dbraw/zinc/43/30/24/1096433024.db2.gz RVWOHGRYLWCBFC-AWEZNQCLSA-N 2 0 329.916 2.876 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740387 1096481470 /nfs/dbraw/zinc/48/14/70/1096481470.db2.gz BGQMYNJBUMMGKL-VQIMIIECSA-N 2 0 339.499 2.698 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001481752413 1096527683 /nfs/dbraw/zinc/52/76/83/1096527683.db2.gz BKGUXVYKFYKZIO-WHXUGTBJSA-N 2 0 345.531 2.611 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001481897010 1096888137 /nfs/dbraw/zinc/88/81/37/1096888137.db2.gz KYBJOKZCRMSNBS-GOSISDBHSA-N 2 0 345.531 2.683 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC1 ZINC001481938541 1096968364 /nfs/dbraw/zinc/96/83/64/1096968364.db2.gz BXWNQTFFPARSAD-MAUKXSAKSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481985977 1097048739 /nfs/dbraw/zinc/04/87/39/1097048739.db2.gz IILNVWLVXZEJTJ-QGZVFWFLSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001482007542 1097084983 /nfs/dbraw/zinc/08/49/83/1097084983.db2.gz MYYNCUGDEVZLIN-UHFFFAOYSA-N 2 0 347.547 2.903 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001482032026 1097123942 /nfs/dbraw/zinc/12/39/42/1097123942.db2.gz JZYVEJLLELIHHB-VQTJNVASSA-N 2 0 341.499 2.985 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC2CC[NH+](CC=C(C)C)CC2)CC1 ZINC001482051857 1097185485 /nfs/dbraw/zinc/18/54/85/1097185485.db2.gz QZPVNYOPDUDAAM-UHFFFAOYSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482103156 1097264182 /nfs/dbraw/zinc/26/41/82/1097264182.db2.gz YBNCZIIIYQZLKN-MSOLQXFVSA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268772237 1097619816 /nfs/dbraw/zinc/61/98/16/1097619816.db2.gz XCDYTZYDANREDB-VQTJNVASSA-N 2 0 341.499 2.650 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001268944353 1097737537 /nfs/dbraw/zinc/73/75/37/1097737537.db2.gz TYEUMLGRQDKPDQ-HOJAQTOUSA-N 2 0 345.531 2.892 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269555757 1098244456 /nfs/dbraw/zinc/24/44/56/1098244456.db2.gz HELBXMFPBCHZIS-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]C[C@@](C)(NC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001269626936 1098302879 /nfs/dbraw/zinc/30/28/79/1098302879.db2.gz ZKOPVCAOLYZHDR-HXUWFJFHSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001269693298 1098373582 /nfs/dbraw/zinc/37/35/82/1098373582.db2.gz SMNWKXWFUQBXKR-FQEVSTJZSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001269693706 1098375327 /nfs/dbraw/zinc/37/53/27/1098375327.db2.gz YOIUEBVWJDJKRK-FQEVSTJZSA-N 2 0 345.531 2.896 10 30 EFEERP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001269777826 1098439620 /nfs/dbraw/zinc/43/96/20/1098439620.db2.gz MRUXMXCGZNMRGP-GOSISDBHSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269790634 1098445755 /nfs/dbraw/zinc/44/57/55/1098445755.db2.gz JAOWPDQTFLSGME-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001269875323 1098493677 /nfs/dbraw/zinc/49/36/77/1098493677.db2.gz JLNPJEDAFGUOOL-INIZCTEOSA-N 2 0 333.520 2.606 10 30 EFEERP C#CC[NH2+]CCC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001269927741 1098525478 /nfs/dbraw/zinc/52/54/78/1098525478.db2.gz MIGNHPKDJDPYRW-FQEVSTJZSA-N 2 0 341.499 2.531 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001269929176 1098529607 /nfs/dbraw/zinc/52/96/07/1098529607.db2.gz XYKMGIUFVAOKCX-UHFFFAOYSA-N 2 0 347.547 2.903 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001269950323 1098544102 /nfs/dbraw/zinc/54/41/02/1098544102.db2.gz AUKFXUINMOTZSB-FQEVSTJZSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001267908669 1098568764 /nfs/dbraw/zinc/56/87/64/1098568764.db2.gz MUEVBMFKSGWMSJ-DLBZAZTESA-N 2 0 341.927 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001269988628 1098570523 /nfs/dbraw/zinc/57/05/23/1098570523.db2.gz DJFZTXHGKKQCIY-HKUYNNGSSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001267916066 1098630445 /nfs/dbraw/zinc/63/04/45/1098630445.db2.gz OEHGVMHPZOWZCI-MOPGFXCFSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001267916082 1098631709 /nfs/dbraw/zinc/63/17/09/1098631709.db2.gz ONDAYJSROFGZCR-UHFFFAOYSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267917416 1098637082 /nfs/dbraw/zinc/63/70/82/1098637082.db2.gz FWEDFYUFSGZWMJ-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001270065298 1098653517 /nfs/dbraw/zinc/65/35/17/1098653517.db2.gz KTGJMONONPHDIC-HXUWFJFHSA-N 2 0 341.499 2.536 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001270083011 1098672599 /nfs/dbraw/zinc/67/25/99/1098672599.db2.gz JYFXEYACIZVLIK-INIZCTEOSA-N 2 0 326.444 2.803 10 30 EFEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001270087729 1098678853 /nfs/dbraw/zinc/67/88/53/1098678853.db2.gz FCZMBRVRRHDLTC-HXUWFJFHSA-N 2 0 341.499 2.536 10 30 EFEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001270087727 1098679645 /nfs/dbraw/zinc/67/96/45/1098679645.db2.gz FCZMBRVRRHDLTC-FQEVSTJZSA-N 2 0 341.499 2.536 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001270105011 1098700127 /nfs/dbraw/zinc/70/01/27/1098700127.db2.gz IGVYWFXTKLFTTK-IBGZPJMESA-N 2 0 343.515 2.951 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001267930558 1098721390 /nfs/dbraw/zinc/72/13/90/1098721390.db2.gz JMIFYESNOSMXDI-CADBVGFASA-N 2 0 333.520 2.987 10 30 EFEERP C#CCC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001270144543 1098738514 /nfs/dbraw/zinc/73/85/14/1098738514.db2.gz SPDJPJCLKFOVOS-UHFFFAOYSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001270254621 1098869557 /nfs/dbraw/zinc/86/95/57/1098869557.db2.gz WNEIFJAXZNCNRO-RTBURBONSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001270320574 1098956846 /nfs/dbraw/zinc/95/68/46/1098956846.db2.gz CTNDRCHEOKLWQO-HXUWFJFHSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CC=C(C)C)CC1 ZINC001270346081 1098989020 /nfs/dbraw/zinc/98/90/20/1098989020.db2.gz YMLZZLRBZVTSMT-UHFFFAOYSA-N 2 0 347.547 2.857 10 30 EFEERP C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CC[NH+](CC(C)C)CC1 ZINC001270358485 1099003724 /nfs/dbraw/zinc/00/37/24/1099003724.db2.gz ISXXFGLNKQVVAH-UHFFFAOYSA-N 2 0 347.547 2.689 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267791962 1099263804 /nfs/dbraw/zinc/26/38/04/1099263804.db2.gz RWMKLFIVIWADTL-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267791963 1099263875 /nfs/dbraw/zinc/26/38/75/1099263875.db2.gz RWMKLFIVIWADTL-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001671256802 1099376240 /nfs/dbraw/zinc/37/62/40/1099376240.db2.gz KQUQQALGUFEPTO-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001481342553 1099380748 /nfs/dbraw/zinc/38/07/48/1099380748.db2.gz GZDRANQDMQYIEU-ICSRJNTNSA-N 2 0 347.547 2.737 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001481366575 1099487116 /nfs/dbraw/zinc/48/71/16/1099487116.db2.gz YUNXRYHCXCAGHB-HXUWFJFHSA-N 2 0 346.434 2.727 10 30 EFEERP CCC[N@H+](C)CC(=O)NC[C@H](CC)[NH2+]CC#Cc1ccccc1Cl ZINC001267828257 1099490535 /nfs/dbraw/zinc/49/05/35/1099490535.db2.gz UGCJJXHUCFNHCD-KRWDZBQOSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001270752094 1099528417 /nfs/dbraw/zinc/52/84/17/1099528417.db2.gz IGGJBKULHMZYDS-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001270847269 1099711007 /nfs/dbraw/zinc/71/10/07/1099711007.db2.gz MRZPDFUAOUIYOD-QUCCMNQESA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001270858199 1099783129 /nfs/dbraw/zinc/78/31/29/1099783129.db2.gz VJNRUXRSNIIVID-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481437903 1099818839 /nfs/dbraw/zinc/81/88/39/1099818839.db2.gz IRCLJLNZVDMNGS-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001625578641 1099828126 /nfs/dbraw/zinc/82/81/26/1099828126.db2.gz ZNEKGBCSSLDUAC-MRXNPFEDSA-N 2 0 329.488 2.653 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001625578634 1099828360 /nfs/dbraw/zinc/82/83/60/1099828360.db2.gz ZNEKGBCSSLDUAC-INIZCTEOSA-N 2 0 329.488 2.653 10 30 EFEERP C=CCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001270863042 1099857343 /nfs/dbraw/zinc/85/73/43/1099857343.db2.gz BFSMYDWQNHUGCZ-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001482406089 1100042490 /nfs/dbraw/zinc/04/24/90/1100042490.db2.gz MRTOPNZUQRSEON-MOPGFXCFSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001632734289 1100497638 /nfs/dbraw/zinc/49/76/38/1100497638.db2.gz FRJPTJWTMNGWPW-SFHVURJKSA-N 2 0 333.520 2.677 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001482469547 1100817514 /nfs/dbraw/zinc/81/75/14/1100817514.db2.gz CBTGYXODXRZKDN-RTBURBONSA-N 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C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001266379150 1101785148 /nfs/dbraw/zinc/78/51/48/1101785148.db2.gz BGULHNUOEVNQJZ-GOSISDBHSA-N 2 0 345.531 2.799 10 30 EFEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001266382605 1101794726 /nfs/dbraw/zinc/79/47/26/1101794726.db2.gz UNPYFRMXULVOFN-QZTJIDSGSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001266386926 1101813007 /nfs/dbraw/zinc/81/30/07/1101813007.db2.gz XUOZIMGVNSKRGV-LJQANCHMSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[NH+]1CCC(N(CCC)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001266392425 1101830788 /nfs/dbraw/zinc/83/07/88/1101830788.db2.gz JAGPLGKLPXKAMN-UHFFFAOYSA-N 2 0 341.499 2.698 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001271506737 1102052666 /nfs/dbraw/zinc/05/26/66/1102052666.db2.gz BJBYXFFBVYQSQX-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001271534951 1102080130 /nfs/dbraw/zinc/08/01/30/1102080130.db2.gz RIMWLEGKFSWZEP-AZUAARDMSA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001656447444 1102088788 /nfs/dbraw/zinc/08/87/88/1102088788.db2.gz HPSDZFRKQVAJGR-ROUUACIJSA-N 2 0 335.536 2.594 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CCCC)CC1 ZINC001656451826 1102095562 /nfs/dbraw/zinc/09/55/62/1102095562.db2.gz BSQBQBBUXJSDGP-ICSRJNTNSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001266760282 1102141534 /nfs/dbraw/zinc/14/15/34/1102141534.db2.gz BIFRMHGMQTYJBQ-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266467690 1102193002 /nfs/dbraw/zinc/19/30/02/1102193002.db2.gz AZOGDFMYBQJKEY-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266470999 1102205099 /nfs/dbraw/zinc/20/50/99/1102205099.db2.gz GFUWASSXKPEPOW-MSOLQXFVSA-N 2 0 344.503 2.773 10 30 EFEERP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001271674788 1102233310 /nfs/dbraw/zinc/23/33/10/1102233310.db2.gz AMWOQLDKENFMTI-IRXDYDNUSA-N 2 0 345.487 2.585 10 30 EFEERP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001271674789 1102233394 /nfs/dbraw/zinc/23/33/94/1102233394.db2.gz AMWOQLDKENFMTI-SJORKVTESA-N 2 0 345.487 2.585 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001271710622 1102277914 /nfs/dbraw/zinc/27/79/14/1102277914.db2.gz BJUYCPKZELGUHB-LPHOPBHVSA-N 2 0 329.488 2.622 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC(=C)C)CC1 ZINC001657082540 1102314969 /nfs/dbraw/zinc/31/49/69/1102314969.db2.gz BCHXRZQKKAUCTR-FQEVSTJZSA-N 2 0 345.531 2.611 10 30 EFEERP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482496104 1102338414 /nfs/dbraw/zinc/33/84/14/1102338414.db2.gz VJNNIHILUZTCPP-LPHOPBHVSA-N 2 0 329.488 2.765 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC001482506927 1102439401 /nfs/dbraw/zinc/43/94/01/1102439401.db2.gz NEZHUOQECINXTN-GOSISDBHSA-N 2 0 344.503 2.500 10 30 EFEERP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001271736864 1102543443 /nfs/dbraw/zinc/54/34/43/1102543443.db2.gz RMASWIOGNCYZDK-BCDXTJNWSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001266879046 1102573830 /nfs/dbraw/zinc/57/38/30/1102573830.db2.gz NUSKSMRRGKUXBM-LJQANCHMSA-N 2 0 329.488 2.561 10 30 EFEERP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001271749823 1102587096 /nfs/dbraw/zinc/58/70/96/1102587096.db2.gz IJYHOYRIIJUCBQ-OKYOBFRVSA-N 2 0 333.520 2.654 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266890181 1102602481 /nfs/dbraw/zinc/60/24/81/1102602481.db2.gz JBIJMNAJZQANLM-RBUKOAKNSA-N 2 0 347.547 2.881 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001271758668 1102604033 /nfs/dbraw/zinc/60/40/33/1102604033.db2.gz CUXDDNXVVIPYLE-ICSRJNTNSA-N 2 0 345.531 2.515 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001266892949 1102613283 /nfs/dbraw/zinc/61/32/83/1102613283.db2.gz UMQNTWZRHXTXHZ-PMACEKPBSA-N 2 0 345.531 2.731 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001271764583 1102626466 /nfs/dbraw/zinc/62/64/66/1102626466.db2.gz NLMLBKGSWLTWST-NCXUSEDFSA-N 2 0 335.536 2.805 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001271770894 1102640090 /nfs/dbraw/zinc/64/00/90/1102640090.db2.gz ZRNSAXILGXOWSF-CADBVGFASA-N 2 0 333.520 2.702 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001271779069 1102662823 /nfs/dbraw/zinc/66/28/23/1102662823.db2.gz SNKAACCBRMNLNR-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001271789543 1102684614 /nfs/dbraw/zinc/68/46/14/1102684614.db2.gz KSLXYRPADFNCQB-MKXGPGLRSA-N 2 0 335.536 2.805 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001271790664 1102686644 /nfs/dbraw/zinc/68/66/44/1102686644.db2.gz PEKVAJHGVXXJSC-PMACEKPBSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001271790192 1102687164 /nfs/dbraw/zinc/68/71/64/1102687164.db2.gz HUYHMKCMCFMWNE-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001670512817 1102767237 /nfs/dbraw/zinc/76/72/37/1102767237.db2.gz QOHBFFWRAGCREY-MOPGFXCFSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001660775587 1102970082 /nfs/dbraw/zinc/97/00/82/1102970082.db2.gz BKMPJHWAEZBZJN-NZSAHSFTSA-N 2 0 335.536 2.994 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001661007222 1103066093 /nfs/dbraw/zinc/06/60/93/1103066093.db2.gz SLBLASYMROQLHF-SFHVURJKSA-N 2 0 329.488 2.561 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001661066287 1103105986 /nfs/dbraw/zinc/10/59/86/1103105986.db2.gz KGNUDHPOIUPFGJ-IAGOWNOFSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001661066992 1103108201 /nfs/dbraw/zinc/10/82/01/1103108201.db2.gz TXJFAFFLIDPJLT-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001661168618 1103156028 /nfs/dbraw/zinc/15/60/28/1103156028.db2.gz PXRLRRZRKYSDRU-LPHOPBHVSA-N 2 0 339.499 2.650 10 30 EFEERP Cc1cc(C#N)cc(C)c1CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000905420625 1103166336 /nfs/dbraw/zinc/16/63/36/1103166336.db2.gz WPLBHAOIIDLZLK-UHFFFAOYSA-N 2 0 335.455 2.934 10 30 EFEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001661262753 1103210520 /nfs/dbraw/zinc/21/05/20/1103210520.db2.gz VWDAKPKJDAJENT-QRVBRYPASA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001661333254 1103234168 /nfs/dbraw/zinc/23/41/68/1103234168.db2.gz REFMTCCXWAPDSM-SFHVURJKSA-N 2 0 329.488 2.561 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001661665702 1103352943 /nfs/dbraw/zinc/35/29/43/1103352943.db2.gz KEINFUZPQCTSCC-ZYSHUDEJSA-N 2 0 329.488 2.953 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001661818181 1103445146 /nfs/dbraw/zinc/44/51/46/1103445146.db2.gz KIXXNXQDEABOKG-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001661833023 1103453442 /nfs/dbraw/zinc/45/34/42/1103453442.db2.gz UIVIKAPQHZVTMY-SFHVURJKSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001661833022 1103453769 /nfs/dbraw/zinc/45/37/69/1103453769.db2.gz UIVIKAPQHZVTMY-GOSISDBHSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661843046 1103459736 /nfs/dbraw/zinc/45/97/36/1103459736.db2.gz YZITXQWLTMBKTB-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCCCC)C2)CC1 ZINC001662797001 1103819593 /nfs/dbraw/zinc/81/95/93/1103819593.db2.gz KIZUNCHMMSTYGC-UXHICEINSA-N 2 0 347.547 2.929 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001662868285 1103878908 /nfs/dbraw/zinc/87/89/08/1103878908.db2.gz SYSNEQNXHLTNQD-LJQANCHMSA-N 2 0 329.488 2.861 10 30 EFEERP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001662878670 1103885396 /nfs/dbraw/zinc/88/53/96/1103885396.db2.gz TZUWSMODSDKPJD-MOPGFXCFSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](CCC)CCC ZINC001272044567 1104279177 /nfs/dbraw/zinc/27/91/77/1104279177.db2.gz RROGHMFAAURDPR-OALUTQOASA-N 2 0 333.520 2.587 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001664593265 1104464112 /nfs/dbraw/zinc/46/41/12/1104464112.db2.gz VJOOZIGAVYWBTG-AZUAARDMSA-N 2 0 341.499 2.721 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001664750210 1104535699 /nfs/dbraw/zinc/53/56/99/1104535699.db2.gz HYFWNDJYMFLNRA-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CCCC(C)(C)C)CC1 ZINC001665888800 1104799493 /nfs/dbraw/zinc/79/94/93/1104799493.db2.gz WCMWUXYSQQIXCM-GOSISDBHSA-N 2 0 335.536 2.642 10 30 EFEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001666310583 1104923633 /nfs/dbraw/zinc/92/36/33/1104923633.db2.gz TZDWKASTDCAZRS-WGSAOQKQSA-N 2 0 329.488 2.955 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001667092858 1105049810 /nfs/dbraw/zinc/04/98/10/1105049810.db2.gz OBBGFASAVCIIDU-GOSISDBHSA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCCC1 ZINC001667139326 1105060455 /nfs/dbraw/zinc/06/04/55/1105060455.db2.gz ISNYRLIUOHVSHX-VQTJNVASSA-N 2 0 347.547 2.785 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001667145171 1105062081 /nfs/dbraw/zinc/06/20/81/1105062081.db2.gz YVYCLFCUDKJPDS-QUCCMNQESA-N 2 0 347.547 2.929 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482857063 1105105355 /nfs/dbraw/zinc/10/53/55/1105105355.db2.gz QBESIOGHRPVNDD-OAHLLOKOSA-N 2 0 329.916 2.735 10 30 EFEERP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001667392552 1105137199 /nfs/dbraw/zinc/13/71/99/1105137199.db2.gz ATCZEGNFZLRCBK-PXNSSMCTSA-N 2 0 341.499 2.602 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CC=C(C)C)CC1 ZINC001667400896 1105140665 /nfs/dbraw/zinc/14/06/65/1105140665.db2.gz PHQFJKDEIQFQAQ-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001667413026 1105143280 /nfs/dbraw/zinc/14/32/80/1105143280.db2.gz IXZCUKIEUMKUGB-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669972891 1105560458 /nfs/dbraw/zinc/56/04/58/1105560458.db2.gz BEAGXNSAUSJXKY-RTBURBONSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001671419431 1105634656 /nfs/dbraw/zinc/63/46/56/1105634656.db2.gz OWLXPOIOFZFBTR-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCCC)CC1 ZINC001671476961 1105642353 /nfs/dbraw/zinc/64/23/53/1105642353.db2.gz CAYKQEBOBUQEDQ-LJQANCHMSA-N 2 0 333.520 2.586 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CC[NH+](CC(C)C)CC1 ZINC001671486817 1105644126 /nfs/dbraw/zinc/64/41/26/1105644126.db2.gz FDUNUBSDCXBFJK-IBGZPJMESA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCCC=C)CC1 ZINC001671504251 1105646977 /nfs/dbraw/zinc/64/69/77/1105646977.db2.gz URQQUETVSAABTN-LJQANCHMSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCCCC=C)CC1 ZINC001671504250 1105647291 /nfs/dbraw/zinc/64/72/91/1105647291.db2.gz URQQUETVSAABTN-IBGZPJMESA-N 2 0 345.531 2.611 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCC1 ZINC001671541298 1105654958 /nfs/dbraw/zinc/65/49/58/1105654958.db2.gz GDJOCTABQAFQJS-IBGZPJMESA-N 2 0 338.455 2.544 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001671599072 1105668152 /nfs/dbraw/zinc/66/81/52/1105668152.db2.gz TYLDOICVEZDBIU-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671886986 1105722101 /nfs/dbraw/zinc/72/21/01/1105722101.db2.gz FREKBZVTJSZLNN-ICSRJNTNSA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671908783 1105727366 /nfs/dbraw/zinc/72/73/66/1105727366.db2.gz WJPORPVSORTDNX-RTBURBONSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001671911992 1105728622 /nfs/dbraw/zinc/72/86/22/1105728622.db2.gz DWPQFVUCOKCYNJ-HXUWFJFHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001671916403 1105730074 /nfs/dbraw/zinc/73/00/74/1105730074.db2.gz KYMJXTRRPZHFOD-BEFAXECRSA-N 2 0 332.492 2.834 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001672216661 1105777108 /nfs/dbraw/zinc/77/71/08/1105777108.db2.gz VKVAWHCODFYCRV-PKOBYXMFSA-N 2 0 343.515 2.807 10 30 EFEERP C=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001672337916 1105805012 /nfs/dbraw/zinc/80/50/12/1105805012.db2.gz CDIXBZNYYKDHRK-JKSUJKDBSA-N 2 0 333.476 2.605 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001672338293 1105805759 /nfs/dbraw/zinc/80/57/59/1105805759.db2.gz GNDBZNOQWJFHBK-QFBILLFUSA-N 2 0 329.488 2.622 10 30 EFEERP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001672356001 1105812162 /nfs/dbraw/zinc/81/21/62/1105812162.db2.gz NBECBWQEWVGZAS-BCDXTJNWSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001672369554 1105814707 /nfs/dbraw/zinc/81/47/07/1105814707.db2.gz ZCSYWMDBJRCXBZ-GUDVDZBRSA-N 2 0 335.536 2.805 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001672538162 1105864688 /nfs/dbraw/zinc/86/46/88/1105864688.db2.gz NPAGNOUFSHKCTK-CEXWTWQISA-N 2 0 335.536 2.974 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001672538600 1105866606 /nfs/dbraw/zinc/86/66/06/1105866606.db2.gz SZYDVQNUJSGFRH-RTBURBONSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001672567755 1105874860 /nfs/dbraw/zinc/87/48/60/1105874860.db2.gz NAGHLVRAXYBCFP-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001672929926 1105940785 /nfs/dbraw/zinc/94/07/85/1105940785.db2.gz VTKYMWUOBULJNY-LJQANCHMSA-N 2 0 329.488 2.795 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001672933600 1105942390 /nfs/dbraw/zinc/94/23/90/1105942390.db2.gz FXLNOIUWGHGWMG-IAGOWNOFSA-N 2 0 329.488 2.793 10 30 EFEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001672943463 1105945047 /nfs/dbraw/zinc/94/50/47/1105945047.db2.gz MOTWCMSRUSKBSJ-SJLPKXTDSA-N 2 0 329.488 2.871 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001673008448 1105958249 /nfs/dbraw/zinc/95/82/49/1105958249.db2.gz GZBFIWBYYOGJMC-QGZVFWFLSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001673009161 1105958771 /nfs/dbraw/zinc/95/87/71/1105958771.db2.gz RDJNOQIFXGEGJH-CEXWTWQISA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001673016666 1105959679 /nfs/dbraw/zinc/95/96/79/1105959679.db2.gz MRFCCUBQDGXFQY-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001673021342 1105960364 /nfs/dbraw/zinc/96/03/64/1105960364.db2.gz SDIQAFWGBVUPHJ-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP CC#CC[NH+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)CC1 ZINC001673021441 1105960738 /nfs/dbraw/zinc/96/07/38/1105960738.db2.gz WSGNMEXIMYTPQR-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C=CC[NH+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001673495701 1106033306 /nfs/dbraw/zinc/03/33/06/1106033306.db2.gz BPIYALAICLYDKG-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001673496141 1106033806 /nfs/dbraw/zinc/03/38/06/1106033806.db2.gz HMPBSMNBXHFNCE-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+]C1(CC)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001673617466 1106055213 /nfs/dbraw/zinc/05/52/13/1106055213.db2.gz HMUHIOBEQDWLEI-UHFFFAOYSA-N 2 0 329.488 2.909 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001673650686 1106067789 /nfs/dbraw/zinc/06/77/89/1106067789.db2.gz MJDOEYROZDKZBI-UYAOXDASSA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[N@@H+](CC)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001674343315 1106174170 /nfs/dbraw/zinc/17/41/70/1106174170.db2.gz ROVLKUVVEDOLTF-UHFFFAOYSA-N 2 0 347.528 2.617 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001674469487 1106198047 /nfs/dbraw/zinc/19/80/47/1106198047.db2.gz KYROKEBTKAPBCG-GOSISDBHSA-N 2 0 329.488 2.513 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001674510233 1106211123 /nfs/dbraw/zinc/21/11/23/1106211123.db2.gz HEWXDFYPPREPTQ-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001674510620 1106211483 /nfs/dbraw/zinc/21/14/83/1106211483.db2.gz SLVZHTAFANVEMY-LJQANCHMSA-N 2 0 347.547 2.855 10 30 EFEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001674832310 1106263722 /nfs/dbraw/zinc/26/37/22/1106263722.db2.gz PAKRYHFOGQQNCW-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001675139762 1106307774 /nfs/dbraw/zinc/30/77/74/1106307774.db2.gz IDYVGXBUVAEYEZ-VQTJNVASSA-N 2 0 349.563 2.983 10 30 EFEERP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001675223010 1106319209 /nfs/dbraw/zinc/31/92/09/1106319209.db2.gz XGGFOBYZQJXKMV-MRXNPFEDSA-N 2 0 326.444 2.544 10 30 EFEERP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001675634586 1106399474 /nfs/dbraw/zinc/39/94/74/1106399474.db2.gz FAEMCPBDMNAMHC-FHWLQOOXSA-N 2 0 347.547 2.901 10 30 EFEERP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001675634588 1106399816 /nfs/dbraw/zinc/39/98/16/1106399816.db2.gz FAEMCPBDMNAMHC-IPMKNSEASA-N 2 0 347.547 2.901 10 30 EFEERP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001676143687 1106490970 /nfs/dbraw/zinc/49/09/70/1106490970.db2.gz CXQJEEUDOKKZJK-UXHICEINSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676249112 1106505525 /nfs/dbraw/zinc/50/55/25/1106505525.db2.gz ILZRRCDAUYFPGU-LPHOPBHVSA-N 2 0 339.499 2.602 10 30 EFEERP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001677018283 1106649295 /nfs/dbraw/zinc/64/92/95/1106649295.db2.gz AAGNCTOXABPDPW-OALUTQOASA-N 2 0 345.531 2.633 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001677019207 1106649863 /nfs/dbraw/zinc/64/98/63/1106649863.db2.gz RUNKVAFEJNMXKD-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001677019206 1106649988 /nfs/dbraw/zinc/64/99/88/1106649988.db2.gz RUNKVAFEJNMXKD-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001677032837 1106653655 /nfs/dbraw/zinc/65/36/55/1106653655.db2.gz MHASAVNJZFFUTL-MOPGFXCFSA-N 2 0 341.499 2.529 10 30 EFEERP C=CCC[N@@H+](C)CCN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001677211616 1106677289 /nfs/dbraw/zinc/67/72/89/1106677289.db2.gz SFPJYXYXSUZREQ-LJQANCHMSA-N 2 0 341.515 2.944 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001677376639 1106710206 /nfs/dbraw/zinc/71/02/06/1106710206.db2.gz XXCMDTXRQMPIKI-CABCVRRESA-N 2 0 349.441 2.663 10 30 EFEERP C=CCC[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001677414451 1106714660 /nfs/dbraw/zinc/71/46/60/1106714660.db2.gz DGKUEJISMIIYRZ-UHFFFAOYSA-N 2 0 329.488 2.559 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001677575155 1106749274 /nfs/dbraw/zinc/74/92/74/1106749274.db2.gz TWJVQOLWUGQPSW-SFHVURJKSA-N 2 0 345.531 2.965 10 30 EFEERP C=CCC[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001677648259 1106809406 /nfs/dbraw/zinc/80/94/06/1106809406.db2.gz JRITUPAVAKSDGQ-YJBOKZPZSA-N 2 0 347.478 2.838 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(F)c1 ZINC001677648215 1106810037 /nfs/dbraw/zinc/81/00/37/1106810037.db2.gz ILNOSWYYBQEZCF-HOTGVXAUSA-N 2 0 347.478 2.980 10 30 EFEERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001409349806 1107634160 /nfs/dbraw/zinc/63/41/60/1107634160.db2.gz GROXEQLBNBWASZ-HOTGVXAUSA-N 2 0 344.503 2.519 10 30 EFEERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001409349863 1107635378 /nfs/dbraw/zinc/63/53/78/1107635378.db2.gz GROXEQLBNBWASZ-JKSUJKDBSA-N 2 0 344.503 2.519 10 30 EFEERP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001272216026 1107908897 /nfs/dbraw/zinc/90/88/97/1107908897.db2.gz NOIZLBNBMWMXJT-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@H]21 ZINC001272216025 1107909540 /nfs/dbraw/zinc/90/95/40/1107909540.db2.gz NOIZLBNBMWMXJT-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001272439411 1108317364 /nfs/dbraw/zinc/31/73/64/1108317364.db2.gz HKLGTDFQDGSFML-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483817747 1112468131 /nfs/dbraw/zinc/46/81/31/1112468131.db2.gz XVGRIFDUAFYNQP-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCCCC1 ZINC001483813469 1112480758 /nfs/dbraw/zinc/48/07/58/1112480758.db2.gz TUZJYHDVUDICJT-UYAOXDASSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483834004 1112494969 /nfs/dbraw/zinc/49/49/69/1112494969.db2.gz UBJGEWHNMNLLLT-NQIIRXRSSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483834006 1112495089 /nfs/dbraw/zinc/49/50/89/1112495089.db2.gz UBJGEWHNMNLLLT-WIYYLYMNSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001483847108 1112508394 /nfs/dbraw/zinc/50/83/94/1112508394.db2.gz JADQYLIULIIBKL-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001483836667 1112512558 /nfs/dbraw/zinc/51/25/58/1112512558.db2.gz IBRJWKPLCSOGMY-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483936368 1112577355 /nfs/dbraw/zinc/57/73/55/1112577355.db2.gz KFXGTILMCBCMOL-MRXNPFEDSA-N 2 0 341.927 2.973 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001483991944 1112626536 /nfs/dbraw/zinc/62/65/36/1112626536.db2.gz FXIRYVQYGOXRLX-LEWJYISDSA-N 2 0 349.478 2.704 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001483984479 1112630222 /nfs/dbraw/zinc/63/02/22/1112630222.db2.gz NXSQJRZDRRIZMZ-HXUWFJFHSA-N 2 0 347.547 2.832 10 30 EFEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001483986904 1112632060 /nfs/dbraw/zinc/63/20/60/1112632060.db2.gz WXXIKHCYGMBHAS-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCC1 ZINC001484000949 1112651900 /nfs/dbraw/zinc/65/19/00/1112651900.db2.gz LEXUDZLRIGNNFU-IPMKNSEASA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001484147017 1112825304 /nfs/dbraw/zinc/82/53/04/1112825304.db2.gz NRBRJTORKCCFFX-IBGZPJMESA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001484174658 1112888506 /nfs/dbraw/zinc/88/85/06/1112888506.db2.gz MJPRTQHSHKOSFL-HXUWFJFHSA-N 2 0 329.488 2.523 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001484174999 1112889342 /nfs/dbraw/zinc/88/93/42/1112889342.db2.gz NYMMGUYVMYXTPI-AZUAARDMSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484175933 1112890913 /nfs/dbraw/zinc/89/09/13/1112890913.db2.gz QNUHHDJCIDYJIZ-ICSRJNTNSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001484544803 1112997065 /nfs/dbraw/zinc/99/70/65/1112997065.db2.gz BOSXJPUTUIGAJX-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484551908 1113004295 /nfs/dbraw/zinc/00/42/95/1113004295.db2.gz RMVRHLABTXUMTQ-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001484558484 1113012295 /nfs/dbraw/zinc/01/22/95/1113012295.db2.gz HHXFOPGULYGEGI-FXAWDEMLSA-N 2 0 341.499 2.850 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001484562810 1113024350 /nfs/dbraw/zinc/02/43/50/1113024350.db2.gz GVKOFQNDDYKMEX-PXNSSMCTSA-N 2 0 341.499 2.851 10 30 EFEERP C=C(Cl)CN1CCc2c(CNC(=O)C[N@@H+](C)CCC)cccc2C1 ZINC001484612073 1113054281 /nfs/dbraw/zinc/05/42/81/1113054281.db2.gz GIJDCVLCLMZGOV-UHFFFAOYSA-N 2 0 349.906 2.755 10 30 EFEERP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001484825983 1117764109 /nfs/dbraw/zinc/76/41/09/1117764109.db2.gz ZRHDXFXDMUDAFK-UXHICEINSA-N 2 0 343.515 2.692 10 30 EFEERP C#CCC[N@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001484876204 1117791991 /nfs/dbraw/zinc/79/19/91/1117791991.db2.gz XOJOTMWSLRXLBI-UHFFFAOYSA-N 2 0 339.483 2.518 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C ZINC001484900196 1117804255 /nfs/dbraw/zinc/80/42/55/1117804255.db2.gz NVPPKVWBGUEXOX-XLIONFOSSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001484923105 1117838933 /nfs/dbraw/zinc/83/89/33/1117838933.db2.gz DRFNFACMLKSJCD-OAHLLOKOSA-N 2 0 329.916 2.830 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)[C@@H](C)C2)CC1 ZINC001484985785 1117911242 /nfs/dbraw/zinc/91/12/42/1117911242.db2.gz KRNIOMXOKWWTOA-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001485002603 1117923507 /nfs/dbraw/zinc/92/35/07/1117923507.db2.gz AJAWODSATXRDDM-INIZCTEOSA-N 2 0 349.906 2.516 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001485033477 1117966214 /nfs/dbraw/zinc/96/62/14/1117966214.db2.gz JSYRWCWHOCXQKD-UHFFFAOYSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001485239097 1118170805 /nfs/dbraw/zinc/17/08/05/1118170805.db2.gz ZFOBHUQFIUCTNV-UYSNPLJNSA-N 2 0 347.906 2.778 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001272699555 1118332284 /nfs/dbraw/zinc/33/22/84/1118332284.db2.gz BPYPTZMGTAUIDO-ZWOKBUDYSA-N 2 0 341.499 2.707 10 30 EFEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001485692951 1118533380 /nfs/dbraw/zinc/53/33/80/1118533380.db2.gz QAHZATQOZPWREW-LNLFQRSKSA-N 2 0 333.520 2.844 10 30 EFEERP CC#CC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001485766663 1118579001 /nfs/dbraw/zinc/57/90/01/1118579001.db2.gz MFRXAALRNKUAHE-FQEVSTJZSA-N 2 0 341.499 2.626 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941238185 1118695545 /nfs/dbraw/zinc/69/55/45/1118695545.db2.gz UMOMBHFODBZMAV-SFHVURJKSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001485815992 1119236028 /nfs/dbraw/zinc/23/60/28/1119236028.db2.gz OFIAEGINJONBAW-OAHLLOKOSA-N 2 0 338.883 2.506 10 30 EFEERP C=CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000179516048 201032007 /nfs/dbraw/zinc/03/20/07/201032007.db2.gz FTHBMZFJRFPBFI-KRWDZBQOSA-N 2 0 332.488 2.776 10 30 EFEERP C=CCC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246878132 240274317 /nfs/dbraw/zinc/27/43/17/240274317.db2.gz DMZXEEXGIPJJBZ-LEWJYISDSA-N 2 0 346.515 2.691 10 30 EFEERP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000414530114 244213757 /nfs/dbraw/zinc/21/37/57/244213757.db2.gz WXLXUMJYAVHZHE-UHFFFAOYSA-N 2 0 349.478 2.983 10 30 EFEERP C[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261675871 533478572 /nfs/dbraw/zinc/47/85/72/533478572.db2.gz CNTRYIXGYPOHPP-MRXNPFEDSA-N 2 0 338.540 2.716 10 30 EFEERP [NH2+]=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1CCCCCC1 ZINC000262499299 295004976 /nfs/dbraw/zinc/00/49/76/295004976.db2.gz XSAIXCBDMZVMNP-UHFFFAOYSA-N 2 0 346.441 2.982 10 30 EFEERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000057847540 472484929 /nfs/dbraw/zinc/48/49/29/472484929.db2.gz MGGVXMCKARRLCF-UHFFFAOYSA-N 2 0 342.487 2.941 10 30 EFEERP C=CCCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121059032 472791184 /nfs/dbraw/zinc/79/11/84/472791184.db2.gz WIRAUPRMJGVFRQ-PKOBYXMFSA-N 2 0 329.488 2.664 10 30 EFEERP C#CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121127578 472803881 /nfs/dbraw/zinc/80/38/81/472803881.db2.gz APOBUJQWDFEEDN-GOSISDBHSA-N 2 0 344.499 2.613 10 30 EFEERP C=C(C)COCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000134501506 472917582 /nfs/dbraw/zinc/91/75/82/472917582.db2.gz RRDRAOAYPYOAER-UHFFFAOYSA-N 2 0 331.504 2.901 10 30 EFEERP C=CCC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000127651269 473637033 /nfs/dbraw/zinc/63/70/33/473637033.db2.gz DMZXEEXGIPJJBZ-RTWAWAEBSA-N 2 0 346.515 2.691 10 30 EFEERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000282477545 474081293 /nfs/dbraw/zinc/08/12/93/474081293.db2.gz PWMPAGIOSSLADM-FQEVSTJZSA-N 2 0 349.482 2.923 10 30 EFEERP C[NH+](C)CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264960575 474161136 /nfs/dbraw/zinc/16/11/36/474161136.db2.gz NXHXSJVMGOHYTM-UHFFFAOYSA-N 2 0 325.460 2.895 10 30 EFEERP N#CCCOCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858099 474679313 /nfs/dbraw/zinc/67/93/13/474679313.db2.gz RFWQCSZUCANOJY-VQTJNVASSA-N 2 0 327.472 2.903 10 30 EFEERP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292085162 474839626 /nfs/dbraw/zinc/83/96/26/474839626.db2.gz GDYOYRQKBVZJIT-GOSISDBHSA-N 2 0 346.862 2.568 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000415126801 476908905 /nfs/dbraw/zinc/90/89/05/476908905.db2.gz MKAWTKCZDCKAFQ-PMACEKPBSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000415128557 476909728 /nfs/dbraw/zinc/90/97/28/476909728.db2.gz SHQBAPZCEUYEFI-ICSRJNTNSA-N 2 0 330.472 2.970 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416152326 477042215 /nfs/dbraw/zinc/04/22/15/477042215.db2.gz WGMZGRAMJLWBJP-UHFFFAOYSA-N 2 0 341.499 2.592 10 30 EFEERP C=CCOc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247892 477880213 /nfs/dbraw/zinc/88/02/13/477880213.db2.gz CMYNANATBRDPCC-HXUWFJFHSA-N 2 0 330.472 2.842 10 30 EFEERP CC1(C)C[C@@H]([NH2+]CC#CC[NH2+][C@H]2CC(C)(C)OC2(C)C)C(C)(C)O1 ZINC000472455648 478014204 /nfs/dbraw/zinc/01/42/04/478014204.db2.gz LMKSTXRWIUDELE-IYBDPMFKSA-N 2 0 336.520 2.861 10 30 EFEERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435898 478385083 /nfs/dbraw/zinc/38/50/83/478385083.db2.gz GESNWXYAOVVPJB-PKOBYXMFSA-N 2 0 342.487 2.521 10 30 EFEERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435889 478385332 /nfs/dbraw/zinc/38/53/32/478385332.db2.gz GESNWXYAOVVPJB-HKUYNNGSSA-N 2 0 342.487 2.521 10 30 EFEERP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437749 478387709 /nfs/dbraw/zinc/38/77/09/478387709.db2.gz FCDJTLGCSPKPFT-HKUYNNGSSA-N 2 0 342.487 2.521 10 30 EFEERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439217 478389130 /nfs/dbraw/zinc/38/91/30/478389130.db2.gz UEGPIILUIDEIJD-LPHOPBHVSA-N 2 0 342.487 2.739 10 30 EFEERP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594495031 478410083 /nfs/dbraw/zinc/41/00/83/478410083.db2.gz NCBPMUARVPNYJZ-UHFFFAOYSA-N 2 0 328.504 2.605 10 30 EFEERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496066 478412142 /nfs/dbraw/zinc/41/21/42/478412142.db2.gz YPRNHFBLQJPMDT-KRWDZBQOSA-N 2 0 328.504 2.603 10 30 EFEERP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000594498665 478412332 /nfs/dbraw/zinc/41/23/32/478412332.db2.gz SNYADQDDTUFQPA-PMACEKPBSA-N 2 0 341.499 2.955 10 30 EFEERP C[C@@H]1CN(CC#Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490987781 478420073 /nfs/dbraw/zinc/42/00/73/478420073.db2.gz MWCIYUMXICAVLM-YLJYHZDGSA-N 2 0 345.918 2.649 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738558 478498630 /nfs/dbraw/zinc/49/86/30/478498630.db2.gz JKOMTMHOEGFAJH-WOJBJXKFSA-N 2 0 341.499 2.933 10 30 EFEERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594922458 478588058 /nfs/dbraw/zinc/58/80/58/478588058.db2.gz ULWYBMHZSPGIHV-GOSISDBHSA-N 2 0 340.515 2.605 10 30 EFEERP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000594932015 478592279 /nfs/dbraw/zinc/59/22/79/478592279.db2.gz UJLSBPNOIPIEAR-UXHICEINSA-N 2 0 339.483 2.709 10 30 EFEERP Cc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1C#N ZINC000594955233 478602177 /nfs/dbraw/zinc/60/21/77/478602177.db2.gz PYTJIUKJUNKRMN-UHFFFAOYSA-N 2 0 327.472 2.847 10 30 EFEERP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000595066866 478649296 /nfs/dbraw/zinc/64/92/96/478649296.db2.gz FXCHJHUOGIHWGG-RBBKRZOGSA-N 2 0 347.462 2.902 10 30 EFEERP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc(C#N)c2ccsc21 ZINC000601124486 478671119 /nfs/dbraw/zinc/67/11/19/478671119.db2.gz PULGOYBJTUTRSH-UHFFFAOYSA-N 2 0 345.516 2.878 10 30 EFEERP N#Cc1cccc(C2([NH2+]Cc3cccc4c3CC[NH2+]C4)CCOCC2)c1 ZINC000595911727 479066766 /nfs/dbraw/zinc/06/67/66/479066766.db2.gz WHKKBPHGZOQPEV-UHFFFAOYSA-N 2 0 347.462 2.999 10 30 EFEERP CCC1(N2CCOCC2)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000599664825 479378175 /nfs/dbraw/zinc/37/81/75/479378175.db2.gz QKJUIOVNLLJXHH-UHFFFAOYSA-N 2 0 327.472 2.829 10 30 EFEERP CCC1(N2CCOCC2)CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000599663047 479378472 /nfs/dbraw/zinc/37/84/72/479378472.db2.gz AQPJHLJKXKSXQG-UHFFFAOYSA-N 2 0 327.472 2.944 10 30 EFEERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1F ZINC000611587381 479426713 /nfs/dbraw/zinc/42/67/13/479426713.db2.gz BOENGZAPYKHJLP-GOEBONIOSA-N 2 0 330.451 2.516 10 30 EFEERP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705272 481273818 /nfs/dbraw/zinc/27/38/18/481273818.db2.gz AVYRNTUORXNLPC-CMKODMSKSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccco1 ZINC000665288914 481772198 /nfs/dbraw/zinc/77/21/98/481772198.db2.gz AQLQYVKEPWSOLB-KRWDZBQOSA-N 2 0 333.476 2.867 10 30 EFEERP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000651728120 481923205 /nfs/dbraw/zinc/92/32/05/481923205.db2.gz LLKVRJFRUNGPTI-FUHWJXTLSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000651728119 481923243 /nfs/dbraw/zinc/92/32/43/481923243.db2.gz LLKVRJFRUNGPTI-AEFFLSMTSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666874 481923333 /nfs/dbraw/zinc/92/33/33/481923333.db2.gz WXKXTMFYXFVRPD-AZUAARDMSA-N 2 0 327.472 2.638 10 30 EFEERP C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673833 481927610 /nfs/dbraw/zinc/92/76/10/481927610.db2.gz SHUODGGHKARMNZ-NRFANRHFSA-N 2 0 341.499 2.774 10 30 EFEERP C=CC[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000651743567 481929518 /nfs/dbraw/zinc/92/95/18/481929518.db2.gz ZUGMGBPKQNRTIC-IHPCNDPISA-N 2 0 343.515 2.610 10 30 EFEERP C=CC[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662696704 481938331 /nfs/dbraw/zinc/93/83/31/481938331.db2.gz RROLJFNNBBQHMP-NRFANRHFSA-N 2 0 341.499 2.713 10 30 EFEERP C=CC[C@]1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000662697528 481938341 /nfs/dbraw/zinc/93/83/41/481938341.db2.gz GCHOFUHEYPIFFN-LJQANCHMSA-N 2 0 347.528 2.775 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000662717254 481947101 /nfs/dbraw/zinc/94/71/01/481947101.db2.gz YPCONNIOEBXIHL-AZUAARDMSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000662719034 481947103 /nfs/dbraw/zinc/94/71/03/481947103.db2.gz VLBDWYIWPPUWMI-HFSMHLIXSA-N 2 0 341.499 2.854 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCC[NH2+]1 ZINC000662746328 481958858 /nfs/dbraw/zinc/95/88/58/481958858.db2.gz SCDLVKFTELMHTI-SZVBFZGTSA-N 2 0 347.528 2.946 10 30 EFEERP C=CC[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000171715906 526449757 /nfs/dbraw/zinc/44/97/57/526449757.db2.gz JMYWHAPXJRHZMH-UHFFFAOYSA-N 2 0 327.472 2.663 10 30 EFEERP CCC[NH+]1CCN(c2ccccc2C=[NH+]OC2CCOCC2)CC1 ZINC000774439740 581491613 /nfs/dbraw/zinc/49/16/13/581491613.db2.gz YINKZZNRIOMNED-UHFFFAOYSA-N 2 0 331.460 2.748 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691784643 1248666700 /nfs/dbraw/zinc/66/67/00/1248666700.db2.gz JSJVNSYHFOSNTK-OALUTQOASA-N 2 0 333.520 2.607 10 30 EFEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691410009 1248749067 /nfs/dbraw/zinc/74/90/67/1248749067.db2.gz LUAOZELJFHWSQH-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001691429095 1248882287 /nfs/dbraw/zinc/88/22/87/1248882287.db2.gz UYZMNIGYQGHDSI-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001691445690 1249138488 /nfs/dbraw/zinc/13/84/88/1249138488.db2.gz KEOAJXQXLNBJAA-GJZGRUSLSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001691767093 1247783367 /nfs/dbraw/zinc/78/33/67/1247783367.db2.gz JZXZMUYNRXIZRX-IYBDPMFKSA-N 2 0 329.916 2.828 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691057961 1248318728 /nfs/dbraw/zinc/31/87/28/1248318728.db2.gz FPPHMUZYIFGIMH-QFBILLFUSA-N 2 0 339.499 2.698 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691075934 1248363449 /nfs/dbraw/zinc/36/34/49/1248363449.db2.gz WCSPCIDSGJQKOY-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692000027 1248373517 /nfs/dbraw/zinc/37/35/17/1248373517.db2.gz XSCCOCAAGREJJY-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001692030347 1248551303 /nfs/dbraw/zinc/55/13/03/1248551303.db2.gz MUPUNANRCSTQPO-FQEVSTJZSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3ccnc3)C2)CC1 ZINC001691274924 1248585790 /nfs/dbraw/zinc/58/57/90/1248585790.db2.gz HUSRGIWFTOHORX-GOSISDBHSA-N 2 0 344.503 2.942 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001691276745 1248588950 /nfs/dbraw/zinc/58/89/50/1248588950.db2.gz CBVBYRVPCRAKNE-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001691621836 1251839717 /nfs/dbraw/zinc/83/97/17/1251839717.db2.gz ZWXVYZUBIFQBTO-MSOLQXFVSA-N 2 0 341.515 2.993 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCCCC)C2)CC1 ZINC001691635881 1251960770 /nfs/dbraw/zinc/96/07/70/1251960770.db2.gz AFTPNHSHGNTNPE-HXUWFJFHSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691851154 1252090773 /nfs/dbraw/zinc/09/07/73/1252090773.db2.gz JCHMDIWBRMYRCE-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484115847 1252281392 /nfs/dbraw/zinc/28/13/92/1252281392.db2.gz XLXGMKRXFKQTOC-FUHWJXTLSA-N 2 0 341.927 2.832 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC/C=C/CC)C2)CC1 ZINC001484126054 1252305516 /nfs/dbraw/zinc/30/55/16/1252305516.db2.gz SGXIBOBYKIROTE-BXKJMJEDSA-N 2 0 345.531 2.516 10 30 EFEERP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001484390670 1252499459 /nfs/dbraw/zinc/49/94/59/1252499459.db2.gz RKQZFIBIEZLVBA-RDGPPVDQSA-N 2 0 335.536 2.898 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001484396480 1252518792 /nfs/dbraw/zinc/51/87/92/1252518792.db2.gz DDVPIKDOUXKLFJ-MUGJNUQGSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001484394385 1252531646 /nfs/dbraw/zinc/53/16/46/1252531646.db2.gz LCUBOAQWOQKXGD-UFYCRDLUSA-N 2 0 347.547 2.644 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001484455021 1252627906 /nfs/dbraw/zinc/62/79/06/1252627906.db2.gz HVRZZXXESOHGHT-GUDVDZBRSA-N 2 0 333.520 2.891 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001484455023 1252628664 /nfs/dbraw/zinc/62/86/64/1252628664.db2.gz HVRZZXXESOHGHT-IPMKNSEASA-N 2 0 333.520 2.891 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001484721843 1252843394 /nfs/dbraw/zinc/84/33/94/1252843394.db2.gz ONQAMZQUHZADJG-HOTGVXAUSA-N 2 0 329.916 2.830 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001484770600 1252937766 /nfs/dbraw/zinc/93/77/66/1252937766.db2.gz HJABQXDALXGCNZ-OALUTQOASA-N 2 0 347.547 2.855 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001484770240 1252937828 /nfs/dbraw/zinc/93/78/28/1252937828.db2.gz BBRYAMIDKNDSRM-UXHICEINSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001484770339 1252938664 /nfs/dbraw/zinc/93/86/64/1252938664.db2.gz CKVJQMCRXVYDIQ-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001687475773 1258514737 /nfs/dbraw/zinc/51/47/37/1258514737.db2.gz TWRWGYUSJJEZER-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001670933607 1258755024 /nfs/dbraw/zinc/75/50/24/1258755024.db2.gz ZSNASVRSMCIWCH-NXEWRWPSSA-N 2 0 345.531 2.796 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001670947248 1258893738 /nfs/dbraw/zinc/89/37/38/1258893738.db2.gz UENCFYYDFPQYFT-IHWFROFDSA-N 2 0 345.531 2.778 10 30 EFEERP COC[C@@H](C)NC(NCc1ccccc1)=[NH+]CCCC[NH+]1CCCC1 ZINC000073552085 1259213752 /nfs/dbraw/zinc/21/37/52/1259213752.db2.gz OZMNEYLIAZRWOT-GOSISDBHSA-N 2 0 346.519 2.633 10 30 EFEERP C=CC[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001670985486 1259316461 /nfs/dbraw/zinc/31/64/61/1259316461.db2.gz SOJIUGCHLHRUQN-GOSISDBHSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001671039569 1259844098 /nfs/dbraw/zinc/84/40/98/1259844098.db2.gz OYZFYVYZYQTYEL-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000921773282 1261383798 /nfs/dbraw/zinc/38/37/98/1261383798.db2.gz YJDCBROJXCZEHN-JOCHJYFZSA-N 2 0 349.478 2.902 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2csc(C#N)c2)(N2CCCCC2)CC1 ZINC000921791996 1261445685 /nfs/dbraw/zinc/44/56/85/1261445685.db2.gz QIRSRVIERQJKLC-UHFFFAOYSA-N 2 0 332.517 2.660 10 30 EFEERP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501894 1261799430 /nfs/dbraw/zinc/79/94/30/1261799430.db2.gz WPGXLJPPGYYGTE-OWCLPIDISA-N 2 0 335.517 2.568 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001486128059 1262704869 /nfs/dbraw/zinc/70/48/69/1262704869.db2.gz JUEZEYLEFIRUAH-LPHOPBHVSA-N 2 0 329.488 2.907 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000921858942 1262902684 /nfs/dbraw/zinc/90/26/84/1262902684.db2.gz IJHBDKKERVVEBU-WOJBJXKFSA-N 2 0 327.472 2.643 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001486488945 1263228695 /nfs/dbraw/zinc/22/86/95/1263228695.db2.gz UKGFAHYFDJXCBT-SFHVURJKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)c(F)c1 ZINC001486525529 1263331555 /nfs/dbraw/zinc/33/15/55/1263331555.db2.gz NGYPWTYQAJOBHL-IEBWSBKVSA-N 2 0 345.462 2.734 10 30 EFEERP C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805876513 1280839517 /nfs/dbraw/zinc/83/95/17/1280839517.db2.gz MGWBPJJCWMHXLZ-IBGZPJMESA-N 2 0 326.440 2.537 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903459295 1312713660 /nfs/dbraw/zinc/71/36/60/1312713660.db2.gz GCMDYIFBAJBCCN-ICSRJNTNSA-N 2 0 327.472 2.893 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903460405 1312715508 /nfs/dbraw/zinc/71/55/08/1312715508.db2.gz ATEIIECNBZVQJF-NLWGTHIKSA-N 2 0 327.472 2.893 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000876716535 1290987450 /nfs/dbraw/zinc/98/74/50/1290987450.db2.gz HBFQFGYZELLHHN-AWEZNQCLSA-N 2 0 339.867 2.816 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000876752357 1291005179 /nfs/dbraw/zinc/00/51/79/1291005179.db2.gz MQOMVDYTSKWQQA-JKSUJKDBSA-N 2 0 327.900 2.571 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000876754230 1291007643 /nfs/dbraw/zinc/00/76/43/1291007643.db2.gz DAHCHPABWYRIQI-PBHICJAKSA-N 2 0 335.879 2.798 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000876774818 1291018489 /nfs/dbraw/zinc/01/84/89/1291018489.db2.gz IAIYFGHUBFGHIM-WBVHZDCISA-N 2 0 335.879 2.579 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000876777896 1291020389 /nfs/dbraw/zinc/02/03/89/1291020389.db2.gz SKAYZIMQYDASGT-KBPBESRZSA-N 2 0 330.259 2.529 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000876777899 1291021130 /nfs/dbraw/zinc/02/11/30/1291021130.db2.gz SKAYZIMQYDASGT-ZIAGYGMSSA-N 2 0 330.259 2.529 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201804 1291165017 /nfs/dbraw/zinc/16/50/17/1291165017.db2.gz RBQIMGXPUUNQDE-GOSISDBHSA-N 2 0 349.906 2.875 10 30 EFEERP C#CCCCCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118841 1291505724 /nfs/dbraw/zinc/50/57/24/1291505724.db2.gz UQWISEDRHVZADT-UHFFFAOYSA-N 2 0 335.536 2.596 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1Cc2ccccc2O1 ZINC000883167020 1293488536 /nfs/dbraw/zinc/48/85/36/1293488536.db2.gz NOMLCXMWKFKQFX-TZIWHRDSSA-N 2 0 343.515 2.552 10 30 EFEERP C=CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCO1 ZINC000883233437 1293516228 /nfs/dbraw/zinc/51/62/28/1293516228.db2.gz IYTHPEUNLQDGII-PMACEKPBSA-N 2 0 336.520 2.981 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001671089790 1294758352 /nfs/dbraw/zinc/75/83/52/1294758352.db2.gz CMAYQLSWQBOHMV-FQEVSTJZSA-N 2 0 335.536 2.977 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001671089791 1294758788 /nfs/dbraw/zinc/75/87/88/1294758788.db2.gz CMAYQLSWQBOHMV-HXUWFJFHSA-N 2 0 335.536 2.977 10 30 EFEERP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001273789373 1295773926 /nfs/dbraw/zinc/77/39/26/1295773926.db2.gz HEWUUWMCDHPMRK-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001273833690 1296243129 /nfs/dbraw/zinc/24/31/29/1296243129.db2.gz QFNPRNGWJACPOC-CTNGQTDRSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001273842039 1296277010 /nfs/dbraw/zinc/27/70/10/1296277010.db2.gz XNUKOSHJCCOSHU-LJQANCHMSA-N 2 0 333.520 2.609 10 30 EFEERP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001273847752 1296288603 /nfs/dbraw/zinc/28/86/03/1296288603.db2.gz CSPLAJGLZBPFIB-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C#CC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)CCC)cc2)CC1 ZINC000928658459 1297122743 /nfs/dbraw/zinc/12/27/43/1297122743.db2.gz SWHJDGNWLLIGBD-UHFFFAOYSA-N 2 0 341.499 2.746 10 30 EFEERP C=CC[N@@H+](CCc1ccccc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885376 1313347958 /nfs/dbraw/zinc/34/79/58/1313347958.db2.gz GHYWQGHJLGSXRA-IBGZPJMESA-N 2 0 326.488 2.577 10 30 EFEERP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001488889969 1297824997 /nfs/dbraw/zinc/82/49/97/1297824997.db2.gz XIIPQVZOYKYIKT-VQTJNVASSA-N 2 0 343.515 2.879 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001489062666 1297994270 /nfs/dbraw/zinc/99/42/70/1297994270.db2.gz CBQIAFHYMRIXJH-MISYRCLQSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001489231244 1298143686 /nfs/dbraw/zinc/14/36/86/1298143686.db2.gz KWAJKIDCBCFRCX-ICSRJNTNSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903980659 1313531443 /nfs/dbraw/zinc/53/14/43/1313531443.db2.gz XJSZKMWRFCGUFE-BGYRXZFFSA-N 2 0 341.499 2.652 10 30 EFEERP N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000903988814 1313544939 /nfs/dbraw/zinc/54/49/39/1313544939.db2.gz XVTCWCPNGWQNLT-LJQANCHMSA-N 2 0 347.466 2.675 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001490596658 1299018009 /nfs/dbraw/zinc/01/80/09/1299018009.db2.gz ANELZNQXPOOOJY-ROUUACIJSA-N 2 0 345.531 2.940 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777286 1299241681 /nfs/dbraw/zinc/24/16/81/1299241681.db2.gz OUJUSSXGSWHNSG-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777459 1299244094 /nfs/dbraw/zinc/24/40/94/1299244094.db2.gz PVGYCIHNBFBHRP-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490792969 1299262381 /nfs/dbraw/zinc/26/23/81/1299262381.db2.gz PNULVYSSPRITPB-HSALFYBXSA-N 2 0 347.547 2.974 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001490797535 1299455710 /nfs/dbraw/zinc/45/57/10/1299455710.db2.gz ATEDLVDBXWEDBN-OKYOBFRVSA-N 2 0 331.504 2.645 10 30 EFEERP C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](C(C)C)CC1 ZINC001278170180 1313738360 /nfs/dbraw/zinc/73/83/60/1313738360.db2.gz ZKEQWOXKKSCRKX-UHFFFAOYSA-N 2 0 347.547 2.976 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001278184653 1313756155 /nfs/dbraw/zinc/75/61/55/1313756155.db2.gz PNKGNQWSZRDZFF-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC(C)C)CC1 ZINC001278188126 1313760182 /nfs/dbraw/zinc/76/01/82/1313760182.db2.gz GMBZVHWYGVTBMR-IBGZPJMESA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CCCC)CC1 ZINC001278194878 1313770887 /nfs/dbraw/zinc/77/08/87/1313770887.db2.gz VZPACCHTHHDLKB-ICSRJNTNSA-N 2 0 347.547 2.833 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc2ccccc2c1 ZINC001278207141 1313789334 /nfs/dbraw/zinc/78/93/34/1313789334.db2.gz PSJAYBJMWGNWNI-FQEVSTJZSA-N 2 0 349.478 2.562 10 30 EFEERP C=CCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001278249381 1313839411 /nfs/dbraw/zinc/83/94/11/1313839411.db2.gz CQHDBJMIONHWQF-GOSISDBHSA-N 2 0 333.520 2.846 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@H](C)C1 ZINC000866445324 1303645070 /nfs/dbraw/zinc/64/50/70/1303645070.db2.gz JCDODRCAWUPRPN-VQIMIIECSA-N 2 0 326.488 2.847 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868221663 1304194882 /nfs/dbraw/zinc/19/48/82/1304194882.db2.gz KXNWXGMIUVUCSD-UHFFFAOYSA-N 2 0 336.524 2.589 10 30 EFEERP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276609892 1314075172 /nfs/dbraw/zinc/07/51/72/1314075172.db2.gz ZYXYSCPKGCBKIV-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001276609893 1314075284 /nfs/dbraw/zinc/07/52/84/1314075284.db2.gz ZYXYSCPKGCBKIV-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001276612348 1314083485 /nfs/dbraw/zinc/08/34/85/1314083485.db2.gz QBXLHJFRWXENLA-FUHWJXTLSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000900436828 1308162238 /nfs/dbraw/zinc/16/22/38/1308162238.db2.gz PZJBGPNZICVXCN-UHFFFAOYSA-N 2 0 347.528 2.990 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000900498564 1308221561 /nfs/dbraw/zinc/22/15/61/1308221561.db2.gz LWFXMOXCPHFPBF-UHFFFAOYSA-N 2 0 343.515 2.661 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000900827515 1308734076 /nfs/dbraw/zinc/73/40/76/1308734076.db2.gz QQLWOBZKBFTERH-NVXWUHKLSA-N 2 0 335.517 2.755 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000900898054 1308858061 /nfs/dbraw/zinc/85/80/61/1308858061.db2.gz XLWQZKDZAGGUDN-SFHVURJKSA-N 2 0 329.488 2.617 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000900905548 1308895118 /nfs/dbraw/zinc/89/51/18/1308895118.db2.gz YQFWUVTXWUFOCP-FQEVSTJZSA-N 2 0 343.515 2.865 10 30 EFEERP 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ALQIKFZBWLZKER-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265705927 1316863123 /nfs/dbraw/zinc/86/31/23/1316863123.db2.gz ORMGBMPSEDMJPR-MOPGFXCFSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265727162 1316867296 /nfs/dbraw/zinc/86/72/96/1316867296.db2.gz RMZMMDAUSBBXQH-GFEQUFNTSA-N 2 0 333.520 2.508 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001265737539 1316869084 /nfs/dbraw/zinc/86/90/84/1316869084.db2.gz NBFQQJPOOVFZGZ-AOCRQIFASA-N 2 0 333.520 2.987 10 30 EFEERP C=CCCCCC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001265743201 1316870193 /nfs/dbraw/zinc/87/01/93/1316870193.db2.gz GAWMEGFATQVXLX-UHFFFAOYSA-N 2 0 333.520 2.846 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001266011574 1316951794 /nfs/dbraw/zinc/95/17/94/1316951794.db2.gz YCIWLDVFMYOYMZ-OALUTQOASA-N 2 0 333.520 2.635 10 30 EFEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001266085251 1317012791 /nfs/dbraw/zinc/01/27/91/1317012791.db2.gz YVWBLGSIMIMITN-SFHVURJKSA-N 2 0 349.906 2.672 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001266106066 1317043332 /nfs/dbraw/zinc/04/33/32/1317043332.db2.gz XFZDKVMIWUWVIG-LJQANCHMSA-N 2 0 343.515 2.903 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001266106065 1317043853 /nfs/dbraw/zinc/04/38/53/1317043853.db2.gz XFZDKVMIWUWVIG-IBGZPJMESA-N 2 0 343.515 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)CCC=C)C2)CC1 ZINC001266119269 1317066301 /nfs/dbraw/zinc/06/63/01/1317066301.db2.gz AYFVVCZVODWQMD-ICSRJNTNSA-N 2 0 345.531 2.609 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001266187377 1317132965 /nfs/dbraw/zinc/13/29/65/1317132965.db2.gz UOAQHFXFVXEFCK-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001318728988 1328678690 /nfs/dbraw/zinc/67/86/90/1328678690.db2.gz ORVDJXLKOPLNKM-HXUWFJFHSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001266187375 1317133008 /nfs/dbraw/zinc/13/30/08/1317133008.db2.gz UOAQHFXFVXEFCK-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001266197068 1317140330 /nfs/dbraw/zinc/14/03/30/1317140330.db2.gz BDWJMSHCCCMOCO-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266222808 1317164716 /nfs/dbraw/zinc/16/47/16/1317164716.db2.gz GOVOBUPUHISXHT-QGZVFWFLSA-N 2 0 338.455 2.640 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001279288502 1317226426 /nfs/dbraw/zinc/22/64/26/1317226426.db2.gz HIKDMRHPYGXYJM-WAAHFUDESA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001279566140 1317303014 /nfs/dbraw/zinc/30/30/14/1317303014.db2.gz OMWUIUQKAIMYDU-FGTMMUONSA-N 2 0 339.499 2.698 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C[NH2+]CCCC)CCCC[C@@H]2C)CC1 ZINC001318760726 1328691766 /nfs/dbraw/zinc/69/17/66/1328691766.db2.gz TVNBSKNLNILDLZ-GHTZIAJQSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)c(F)c1 ZINC001279710694 1317368400 /nfs/dbraw/zinc/36/84/00/1317368400.db2.gz VYABMABKGMGHNJ-LJQANCHMSA-N 2 0 347.478 2.982 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001316599367 1317409103 /nfs/dbraw/zinc/40/91/03/1317409103.db2.gz BOAGSOPOVXIGIT-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001280093988 1317453031 /nfs/dbraw/zinc/45/30/31/1317453031.db2.gz GECIAINXYPGPMB-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001280341638 1317512506 /nfs/dbraw/zinc/51/25/06/1317512506.db2.gz ZNOAYOLDHKBZEI-UHFFFAOYSA-N 2 0 349.478 2.743 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001280365205 1317525530 /nfs/dbraw/zinc/52/55/30/1317525530.db2.gz PUKATUDKCNENMM-CADBVGFASA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001280394691 1317541668 /nfs/dbraw/zinc/54/16/68/1317541668.db2.gz VNXWJDWWLHMROT-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001280426831 1317556656 /nfs/dbraw/zinc/55/66/56/1317556656.db2.gz HQASKAQKSORWSD-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](C)CC(C)C)CCC2)CC1 ZINC001280545983 1317614215 /nfs/dbraw/zinc/61/42/15/1317614215.db2.gz SXJKNTUAQNZLGZ-GOSISDBHSA-N 2 0 347.547 2.642 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001281020567 1317973712 /nfs/dbraw/zinc/97/37/12/1317973712.db2.gz AXXPZCWIPYAOMC-UHFFFAOYSA-N 2 0 338.455 2.640 10 30 EFEERP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001318897460 1328735474 /nfs/dbraw/zinc/73/54/74/1328735474.db2.gz JXHCODHTCAKXHD-LJQANCHMSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH+]1CCC(CCCCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001281055204 1318000372 /nfs/dbraw/zinc/00/03/72/1318000372.db2.gz BRJZSCSXGFRAOB-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001281099970 1318012537 /nfs/dbraw/zinc/01/25/37/1318012537.db2.gz JNJMWXZAGMFWNM-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001318976337 1328754801 /nfs/dbraw/zinc/75/48/01/1328754801.db2.gz MBEIYNLIEFWBBV-NCXUSEDFSA-N 2 0 333.520 2.987 10 30 EFEERP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001281795850 1318586828 /nfs/dbraw/zinc/58/68/28/1318586828.db2.gz GKGPUYAITFMOLC-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001281834414 1318598492 /nfs/dbraw/zinc/59/84/92/1318598492.db2.gz YBWMZZCFCHMIQG-WOJBJXKFSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001281834054 1318599122 /nfs/dbraw/zinc/59/91/22/1318599122.db2.gz TVFDEOYSMVXYGI-HXUWFJFHSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001282065662 1318698586 /nfs/dbraw/zinc/69/85/86/1318698586.db2.gz BJYYUVZHKDQCSY-MUYFXNHWSA-N 2 0 335.536 2.946 10 30 EFEERP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001319142402 1328790317 /nfs/dbraw/zinc/79/03/17/1328790317.db2.gz PFFPULWPFDIFOL-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001319145544 1328790667 /nfs/dbraw/zinc/79/06/67/1328790667.db2.gz TWNPNRJAJFMTEX-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001282724307 1319093795 /nfs/dbraw/zinc/09/37/95/1319093795.db2.gz GQFFJXPCLCNQGM-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001283311042 1319537197 /nfs/dbraw/zinc/53/71/97/1319537197.db2.gz QRKVPSRSFUWADJ-UHFFFAOYSA-N 2 0 335.517 2.922 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001283343525 1319577668 /nfs/dbraw/zinc/57/76/68/1319577668.db2.gz GWNDLPUIWKMVFD-IBGZPJMESA-N 2 0 329.488 2.788 10 30 EFEERP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC001319364184 1328863035 /nfs/dbraw/zinc/86/30/35/1328863035.db2.gz VNZIEWWCEQJDBD-UHFFFAOYSA-N 2 0 333.520 2.683 10 30 EFEERP CC#CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC1 ZINC001319389613 1328869907 /nfs/dbraw/zinc/86/99/07/1328869907.db2.gz PFRATZNMZFPDHS-UHFFFAOYSA-N 2 0 345.487 2.777 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCCCC=C)[C@H]2C)CC1 ZINC001283937676 1320103287 /nfs/dbraw/zinc/10/32/87/1320103287.db2.gz DFSGINYOTVSYPJ-QUCCMNQESA-N 2 0 345.531 2.657 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001284056565 1320169714 /nfs/dbraw/zinc/16/97/14/1320169714.db2.gz HLRSCPHFZYBPJY-HQRMLTQVSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC001284072471 1320179995 /nfs/dbraw/zinc/17/99/95/1320179995.db2.gz RPYSMWKIVBYIAS-QUCCMNQESA-N 2 0 344.503 2.822 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001284693873 1320478731 /nfs/dbraw/zinc/47/87/31/1320478731.db2.gz IIPYAZMNCHADKY-DLBZAZTESA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001284699867 1320481889 /nfs/dbraw/zinc/48/18/89/1320481889.db2.gz LCGWHIFYBLZDJF-GOSISDBHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]2C)CCN(Cc2ccccc2)CC1 ZINC001284731004 1320496872 /nfs/dbraw/zinc/49/68/72/1320496872.db2.gz BLGYNHRGRVWACH-HKUYNNGSSA-N 2 0 341.499 2.569 10 30 EFEERP C=CCCC[NH2+]C1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001284818960 1320549320 /nfs/dbraw/zinc/54/93/20/1320549320.db2.gz PQFMZOBORLSSJL-UHFFFAOYSA-N 2 0 329.488 2.907 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001319659510 1328941719 /nfs/dbraw/zinc/94/17/19/1328941719.db2.gz LTILCCOHVPFGBF-SFHVURJKSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316643435 1321415589 /nfs/dbraw/zinc/41/55/89/1321415589.db2.gz VSNFDKMURMIYGR-ZCNNSNEGSA-N 2 0 341.499 2.631 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001319699365 1328955504 /nfs/dbraw/zinc/95/55/04/1328955504.db2.gz WGNBJAFCSZSIMM-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001319773899 1328984673 /nfs/dbraw/zinc/98/46/73/1328984673.db2.gz GEOMCYNBMQQRPU-LPHOPBHVSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001319822440 1329004413 /nfs/dbraw/zinc/00/44/13/1329004413.db2.gz YEAQSMVJMIXXMU-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001319824921 1329006047 /nfs/dbraw/zinc/00/60/47/1329006047.db2.gz JHZLTGIZLNMMLB-APWZRJJASA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CCCC=C)C2)CC1 ZINC001319834865 1329008459 /nfs/dbraw/zinc/00/84/59/1329008459.db2.gz ZPCIMGVXPKDKEZ-QUCCMNQESA-N 2 0 345.531 2.515 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCCC=C)C2)CC1 ZINC001319834866 1329008482 /nfs/dbraw/zinc/00/84/82/1329008482.db2.gz ZPCIMGVXPKDKEZ-UYAOXDASSA-N 2 0 345.531 2.515 10 30 EFEERP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001319881973 1329027479 /nfs/dbraw/zinc/02/74/79/1329027479.db2.gz YAQVQCWNJREOOK-MOPGFXCFSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001319943704 1329041340 /nfs/dbraw/zinc/04/13/40/1329041340.db2.gz LBKWIMFBZGFJJE-QAPCUYQASA-N 2 0 327.488 2.505 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001491900578 1324012130 /nfs/dbraw/zinc/01/21/30/1324012130.db2.gz RLDTZAOAJWXVIJ-UXHICEINSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001491900579 1324012304 /nfs/dbraw/zinc/01/23/04/1324012304.db2.gz RLDTZAOAJWXVIJ-VQTJNVASSA-N 2 0 341.499 2.638 10 30 EFEERP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001491943219 1324057939 /nfs/dbraw/zinc/05/79/39/1324057939.db2.gz OLZNLRGBQYDWKD-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001491944505 1324060499 /nfs/dbraw/zinc/06/04/99/1324060499.db2.gz WKHHNHSOXKRDRF-WOJBJXKFSA-N 2 0 345.531 2.730 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001316683883 1324571836 /nfs/dbraw/zinc/57/18/36/1324571836.db2.gz GJJRQXUGQLUMGF-WOJBJXKFSA-N 2 0 347.547 2.883 10 30 EFEERP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001316683874 1324571845 /nfs/dbraw/zinc/57/18/45/1324571845.db2.gz GJJRQXUGQLUMGF-PMACEKPBSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCOc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC001308235323 1324803669 /nfs/dbraw/zinc/80/36/69/1324803669.db2.gz RPAFDCIYFAHICH-UHFFFAOYSA-N 2 0 343.515 2.900 10 30 EFEERP C=CCCOCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001308361374 1324815455 /nfs/dbraw/zinc/81/54/55/1324815455.db2.gz RVNSJSQAKHFKBN-UHFFFAOYSA-N 2 0 342.386 2.752 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001316752147 1325109548 /nfs/dbraw/zinc/10/95/48/1325109548.db2.gz IAIWITTWGDYMNT-CEXWTWQISA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316771730 1325124464 /nfs/dbraw/zinc/12/44/64/1325124464.db2.gz NSYOGDKJCSLESE-SJORKVTESA-N 2 0 327.488 2.603 10 30 EFEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316771728 1325124993 /nfs/dbraw/zinc/12/49/93/1325124993.db2.gz NSYOGDKJCSLESE-IRXDYDNUSA-N 2 0 327.488 2.603 10 30 EFEERP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001316811720 1325164925 /nfs/dbraw/zinc/16/49/25/1325164925.db2.gz ORWDDNVFIAZBGD-ZWKOTPCHSA-N 2 0 335.536 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001316950486 1325408193 /nfs/dbraw/zinc/40/81/93/1325408193.db2.gz BNMNAEAYNZGQTK-HCZHMGAMSA-N 2 0 345.531 2.659 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001317004903 1325475358 /nfs/dbraw/zinc/47/53/58/1325475358.db2.gz CDJWLZGJVUASJV-IBGZPJMESA-N 2 0 347.547 2.977 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001317004906 1325475418 /nfs/dbraw/zinc/47/54/18/1325475418.db2.gz CDJWLZGJVUASJV-LJQANCHMSA-N 2 0 347.547 2.977 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001317049683 1325521972 /nfs/dbraw/zinc/52/19/72/1325521972.db2.gz MVKPYKBVRVCXEI-INDMIFKZSA-N 2 0 333.520 2.891 10 30 EFEERP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](CCC)CCC)C1 ZINC001317102248 1325569012 /nfs/dbraw/zinc/56/90/12/1325569012.db2.gz AUSRBVDSQUYIAF-VQTJNVASSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317106658 1325578268 /nfs/dbraw/zinc/57/82/68/1325578268.db2.gz YSDXQROHSYYCGK-UYAOXDASSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317163083 1327660173 /nfs/dbraw/zinc/66/01/73/1327660173.db2.gz YTTCLALBIFLKBC-IBGZPJMESA-N 2 0 347.547 2.903 10 30 EFEERP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317358098 1327892286 /nfs/dbraw/zinc/89/22/86/1327892286.db2.gz MGZGPCKMAHUGPQ-IRXDYDNUSA-N 2 0 333.520 2.680 10 30 EFEERP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001317369522 1327911415 /nfs/dbraw/zinc/91/14/15/1327911415.db2.gz YTCNFEAOFFCXRY-HXUWFJFHSA-N 2 0 343.515 2.884 10 30 EFEERP CC#CC[N@H+](CCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001317705161 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ZINC001327264084 1330449166 /nfs/dbraw/zinc/44/91/66/1330449166.db2.gz KVYFGZOBCXQHNL-UXHICEINSA-N 2 0 343.515 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C)CC1 ZINC001327290341 1330452416 /nfs/dbraw/zinc/45/24/16/1330452416.db2.gz DAMYUBBRFLLEJL-UHFFFAOYSA-N 2 0 349.563 2.938 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300051 1330454640 /nfs/dbraw/zinc/45/46/40/1330454640.db2.gz SMSBEWPIYXMDCF-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCn2ccnc2)C1 ZINC001327307910 1330456360 /nfs/dbraw/zinc/45/63/60/1330456360.db2.gz HCTVJHMFWMJAOE-RTBURBONSA-N 2 0 344.503 2.942 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001327539662 1330496739 /nfs/dbraw/zinc/49/67/39/1330496739.db2.gz BXKJVDZCHXZRCU-QUCCMNQESA-N 2 0 345.531 2.751 10 30 EFEERP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001328588739 1330606062 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ZHBRANSUKWUXNG-ULQDDVLXSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001404326155 1365451998 /nfs/dbraw/zinc/45/19/98/1365451998.db2.gz GBLXYVKKZKYVLT-WBVHZDCISA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001405945048 1366984191 /nfs/dbraw/zinc/98/41/91/1366984191.db2.gz FMQJMFHVVMAYOW-PBHICJAKSA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001407555463 1368981226 /nfs/dbraw/zinc/98/12/26/1368981226.db2.gz ZPNURMWVVATUGO-KDOFPFPSSA-N 2 0 349.906 2.798 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001408004628 1369517641 /nfs/dbraw/zinc/51/76/41/1369517641.db2.gz XVUXMNZSFPBIOV-MRXNPFEDSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001408099069 1369605623 /nfs/dbraw/zinc/60/56/23/1369605623.db2.gz SYUNJJUEHGGSSF-HOTGVXAUSA-N 2 0 339.911 2.727 10 30 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C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001424278624 1382916969 /nfs/dbraw/zinc/91/69/69/1382916969.db2.gz KUXILARRDWBRII-IAGOWNOFSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001440132873 1389404236 /nfs/dbraw/zinc/40/42/36/1389404236.db2.gz FAAWCKYJRFOWNE-DOTOQJQBSA-N 2 0 341.927 2.689 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001506870494 1406386601 /nfs/dbraw/zinc/38/66/01/1406386601.db2.gz PZCUMLGZJCMDQH-YSIASYRMSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001440889615 1389980664 /nfs/dbraw/zinc/98/06/64/1389980664.db2.gz PRPYHRMSYZRQJW-HUUCEWRRSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001441504541 1391337941 /nfs/dbraw/zinc/33/79/41/1391337941.db2.gz GCBFZHHKCXONJV-GASCZTMLSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CC1(C)C ZINC001441921071 1391439281 /nfs/dbraw/zinc/43/92/81/1391439281.db2.gz DIVYQGCUYUZCIQ-LSDHHAIUSA-N 2 0 329.916 2.686 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001507012414 1406587752 /nfs/dbraw/zinc/58/77/52/1406587752.db2.gz RKMHMNAFZWTRDF-OALUTQOASA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001507012417 1406588334 /nfs/dbraw/zinc/58/83/34/1406588334.db2.gz RKMHMNAFZWTRDF-RBUKOAKNSA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001479338227 1397692808 /nfs/dbraw/zinc/69/28/08/1397692808.db2.gz TUGXGXZQTZDXPF-NZSAHSFTSA-N 2 0 329.488 2.740 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001479495103 1397737470 /nfs/dbraw/zinc/73/74/70/1397737470.db2.gz OOBJIPKGDOMFOC-PKOBYXMFSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479521913 1397749310 /nfs/dbraw/zinc/74/93/10/1397749310.db2.gz JANFVQCXUYQREQ-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479521915 1397749449 /nfs/dbraw/zinc/74/94/49/1397749449.db2.gz JANFVQCXUYQREQ-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479521917 1397749601 /nfs/dbraw/zinc/74/96/01/1397749601.db2.gz JANFVQCXUYQREQ-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479524364 1397750785 /nfs/dbraw/zinc/75/07/85/1397750785.db2.gz QDXWOQUBQVTQTM-IEBWSBKVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001479893049 1398006126 /nfs/dbraw/zinc/00/61/26/1398006126.db2.gz HAMBNBWARQSONK-GOSISDBHSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480078388 1398112655 /nfs/dbraw/zinc/11/26/55/1398112655.db2.gz KVSHVIMQNBKXIL-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480158420 1398132871 /nfs/dbraw/zinc/13/28/71/1398132871.db2.gz PHMSNZSCMDOPKL-FPXQBCRKSA-N 2 0 339.499 2.790 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001480173382 1398142105 /nfs/dbraw/zinc/14/21/05/1398142105.db2.gz HFRUDNSSMFTROJ-SNRMKQJTSA-N 2 0 329.488 2.953 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001480361035 1398176313 /nfs/dbraw/zinc/17/63/13/1398176313.db2.gz GPAWGXOYNBSOEL-HOTGVXAUSA-N 2 0 329.916 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001480361036 1398176391 /nfs/dbraw/zinc/17/63/91/1398176391.db2.gz GPAWGXOYNBSOEL-JKSUJKDBSA-N 2 0 329.916 2.830 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001480365068 1398179448 /nfs/dbraw/zinc/17/94/48/1398179448.db2.gz NBZWQHVSGUMGNY-WOJBJXKFSA-N 2 0 341.499 2.673 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001507354553 1406940875 /nfs/dbraw/zinc/94/08/75/1406940875.db2.gz CCGXYICBQCEXQA-QXAKKESOSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480662063 1398269634 /nfs/dbraw/zinc/26/96/34/1398269634.db2.gz RXXBKRPNIKMGER-OTWHNJEPSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001507355565 1406943686 /nfs/dbraw/zinc/94/36/86/1406943686.db2.gz LANOXZLXJANBDR-QUCCMNQESA-N 2 0 333.520 2.942 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480823458 1398333418 /nfs/dbraw/zinc/33/34/18/1398333418.db2.gz JHWVQHNLHOVYHQ-RBUKOAKNSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507358376 1406946952 /nfs/dbraw/zinc/94/69/52/1406946952.db2.gz WGIOBQCOWVAZHY-ICSRJNTNSA-N 2 0 333.520 2.942 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480831984 1398344901 /nfs/dbraw/zinc/34/49/01/1398344901.db2.gz PCXPLRQZXSJKLN-FQEVSTJZSA-N 2 0 341.499 2.746 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001493267001 1398574570 /nfs/dbraw/zinc/57/45/70/1398574570.db2.gz LZTNIUMQCJNTAF-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001493832684 1398910875 /nfs/dbraw/zinc/91/08/75/1398910875.db2.gz SCMWGAPQPSMTTI-KRWDZBQOSA-N 2 0 347.547 2.879 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001493841449 1398916900 /nfs/dbraw/zinc/91/69/00/1398916900.db2.gz SVTCUPZELKCUJA-KRWDZBQOSA-N 2 0 341.499 2.602 10 30 EFEERP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001494160474 1399175959 /nfs/dbraw/zinc/17/59/59/1399175959.db2.gz PKOFPNBYVXYNKU-FQEVSTJZSA-N 2 0 343.515 2.517 10 30 EFEERP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001494160476 1399176044 /nfs/dbraw/zinc/17/60/44/1399176044.db2.gz PKOFPNBYVXYNKU-HXUWFJFHSA-N 2 0 343.515 2.517 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001494161172 1399176483 /nfs/dbraw/zinc/17/64/83/1399176483.db2.gz BSNXXXIDWHNYAK-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001494201200 1399208281 /nfs/dbraw/zinc/20/82/81/1399208281.db2.gz FUQXGGFSSBUTHR-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP CC[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001495051472 1399628742 /nfs/dbraw/zinc/62/87/42/1399628742.db2.gz RUROIDFGHFGFSN-SFHVURJKSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001495416631 1399962246 /nfs/dbraw/zinc/96/22/46/1399962246.db2.gz XVLUHIFSXXIYMB-IBGZPJMESA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001495978329 1400394907 /nfs/dbraw/zinc/39/49/07/1400394907.db2.gz MJICACSGRKPTDU-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001496320767 1400637160 /nfs/dbraw/zinc/63/71/60/1400637160.db2.gz QGSXLRAJQLZQMN-VQTJNVASSA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001496349893 1400660710 /nfs/dbraw/zinc/66/07/10/1400660710.db2.gz GEYURHUASZQPJX-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496450721 1400740119 /nfs/dbraw/zinc/74/01/19/1400740119.db2.gz OPUCHYHUHAHYHM-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001496504610 1400778924 /nfs/dbraw/zinc/77/89/24/1400778924.db2.gz HOWWRPQTFKGBAS-VQTJNVASSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001496503770 1400779579 /nfs/dbraw/zinc/77/95/79/1400779579.db2.gz AGXISXNFKXHSFA-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001496511388 1400786167 /nfs/dbraw/zinc/78/61/67/1400786167.db2.gz SYBIOWHBMBEJEI-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001496512372 1400787293 /nfs/dbraw/zinc/78/72/93/1400787293.db2.gz FUNZZYOMCQACLK-PMACEKPBSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001496512375 1400787588 /nfs/dbraw/zinc/78/75/88/1400787588.db2.gz FUNZZYOMCQACLK-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498489964 1402142323 /nfs/dbraw/zinc/14/23/23/1402142323.db2.gz LRMCTGUOROZOGP-UYAOXDASSA-N 2 0 347.547 2.929 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001498890094 1402362048 /nfs/dbraw/zinc/36/20/48/1402362048.db2.gz PSXXNUAQPGFSCA-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001499491851 1402640028 /nfs/dbraw/zinc/64/00/28/1402640028.db2.gz DXRXEYMQHRHBNA-JLYLLQBASA-N 2 0 333.520 2.939 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001499507074 1402648193 /nfs/dbraw/zinc/64/81/93/1402648193.db2.gz ZPBJNLFFSDEMFT-CEXWTWQISA-N 2 0 333.520 2.891 10 30 EFEERP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCCCCC1 ZINC001499519207 1402656721 /nfs/dbraw/zinc/65/67/21/1402656721.db2.gz POYZOSHMCOLNSP-VQTJNVASSA-N 2 0 347.547 2.881 10 30 EFEERP C#CCC[N@@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001499522404 1402658337 /nfs/dbraw/zinc/65/83/37/1402658337.db2.gz HFISIZUTZNOJHU-NRFANRHFSA-N 2 0 345.531 2.637 10 30 EFEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001499530208 1402664058 /nfs/dbraw/zinc/66/40/58/1402664058.db2.gz FOOJKFJNLJYXGQ-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001499530603 1402665448 /nfs/dbraw/zinc/66/54/48/1402665448.db2.gz TZPRRJNZZQNGCB-HXUWFJFHSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001499606685 1402714173 /nfs/dbraw/zinc/71/41/73/1402714173.db2.gz RRANYWUYDNNPTG-UYAOXDASSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499613660 1402718697 /nfs/dbraw/zinc/71/86/97/1402718697.db2.gz GNQMRDBVSHPGBR-MJGOQNOKSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499613654 1402718801 /nfs/dbraw/zinc/71/88/01/1402718801.db2.gz GNQMRDBVSHPGBR-HKUYNNGSSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001508072546 1407281759 /nfs/dbraw/zinc/28/17/59/1407281759.db2.gz DCKRPOYMXKSKQI-QFBILLFUSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001499852697 1402819885 /nfs/dbraw/zinc/81/98/85/1402819885.db2.gz JEJDHHCJKVFTNT-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001499926531 1402857873 /nfs/dbraw/zinc/85/78/73/1402857873.db2.gz KUKAFXBXPNFBCP-FQEVSTJZSA-N 2 0 343.515 2.951 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001499954572 1402868799 /nfs/dbraw/zinc/86/87/99/1402868799.db2.gz DYNKNUMYBREVBH-INIZCTEOSA-N 2 0 333.476 2.892 10 30 EFEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001500048436 1402912934 /nfs/dbraw/zinc/91/29/34/1402912934.db2.gz LIQYRWZXZVYXAV-SFHVURJKSA-N 2 0 335.536 2.547 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CC(=C)C)CC1 ZINC001500051933 1402914487 /nfs/dbraw/zinc/91/44/87/1402914487.db2.gz MZXWYCIZDXWJGG-QUCCMNQESA-N 2 0 343.515 2.506 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106494 1402939672 /nfs/dbraw/zinc/93/96/72/1402939672.db2.gz GMKGENVNNIHYOD-BHYGNILZSA-N 2 0 341.927 2.734 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001500131452 1402949710 /nfs/dbraw/zinc/94/97/10/1402949710.db2.gz ODLBBHUTAKFDJQ-WOJBJXKFSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001500160907 1402962669 /nfs/dbraw/zinc/96/26/69/1402962669.db2.gz GHUOAUSOGCBOKV-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500372295 1403080790 /nfs/dbraw/zinc/08/07/90/1403080790.db2.gz LBUPVZFLTVWKPM-TZIWHRDSSA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500372292 1403080818 /nfs/dbraw/zinc/08/08/18/1403080818.db2.gz LBUPVZFLTVWKPM-CTNGQTDRSA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001500392656 1403092038 /nfs/dbraw/zinc/09/20/38/1403092038.db2.gz GFIBCPWORVULTK-CTNGQTDRSA-N 2 0 341.499 2.531 10 30 EFEERP 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ZINC001501746800 1403762775 /nfs/dbraw/zinc/76/27/75/1403762775.db2.gz RQYSTQKNENAZEY-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001501746801 1403763169 /nfs/dbraw/zinc/76/31/69/1403763169.db2.gz RQYSTQKNENAZEY-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001501749623 1403764425 /nfs/dbraw/zinc/76/44/25/1403764425.db2.gz ZCXAIWNNASKEEJ-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001502790132 1404345443 /nfs/dbraw/zinc/34/54/43/1404345443.db2.gz RJSXDSCYJZYBCQ-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001502804318 1404354094 /nfs/dbraw/zinc/35/40/94/1404354094.db2.gz PJIRJPOTEUYKMG-LJQANCHMSA-N 2 0 341.499 2.673 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001503764599 1404508273 /nfs/dbraw/zinc/50/82/73/1404508273.db2.gz UHFDSECQFKGDDZ-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001505396695 1404549082 /nfs/dbraw/zinc/54/90/82/1404549082.db2.gz MZSANNPRMPGENA-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001505400233 1404555701 /nfs/dbraw/zinc/55/57/01/1404555701.db2.gz IEFNTMAIEJVWGU-UHFFFAOYSA-N 2 0 332.492 2.787 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001505440726 1404619735 /nfs/dbraw/zinc/61/97/35/1404619735.db2.gz YVHFNBSTEFHWNG-IBGZPJMESA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001505471888 1404706577 /nfs/dbraw/zinc/70/65/77/1404706577.db2.gz COLYPIWZUMYHQH-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001505472604 1404707447 /nfs/dbraw/zinc/70/74/47/1404707447.db2.gz IYPINNRDZRTAAK-MOPGFXCFSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001505475217 1404711521 /nfs/dbraw/zinc/71/15/21/1404711521.db2.gz INAIJZHIZFTKDV-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001506006527 1405338431 /nfs/dbraw/zinc/33/84/31/1405338431.db2.gz YSWKKYQMQGZUNJ-SXLOBPIMSA-N 2 0 343.515 2.735 10 30 EFEERP C#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001506512230 1405885387 /nfs/dbraw/zinc/88/53/87/1405885387.db2.gz FWFGQYXADMJBDT-UHFFFAOYSA-N 2 0 333.520 2.683 10 30 EFEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001565912949 1415447807 /nfs/dbraw/zinc/44/78/07/1415447807.db2.gz DOJCPQYMPPWTRY-PKOBYXMFSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001566055459 1415494497 /nfs/dbraw/zinc/49/44/97/1415494497.db2.gz WOPQIPJSHNLIMD-HSALFYBXSA-N 2 0 347.547 2.853 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001566608973 1415692770 /nfs/dbraw/zinc/69/27/70/1415692770.db2.gz MAVJQEPYSMCWLY-RTBURBONSA-N 2 0 333.520 2.892 10 30 EFEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001566694231 1415735542 /nfs/dbraw/zinc/73/55/42/1415735542.db2.gz CEOHUDKAQSCHMT-QZTJIDSGSA-N 2 0 335.536 2.879 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CCc2cncn2C)C1 ZINC001566746558 1415759035 /nfs/dbraw/zinc/75/90/35/1415759035.db2.gz KWSQGRKUWCMIOS-ZWKOTPCHSA-N 2 0 346.519 2.878 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001566851345 1415798935 /nfs/dbraw/zinc/79/89/35/1415798935.db2.gz MLLVWYVQQPQYEQ-IBGZPJMESA-N 2 0 329.488 2.617 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001567155697 1415956384 /nfs/dbraw/zinc/95/63/84/1415956384.db2.gz VLSKXKMCIQZSQH-INIZCTEOSA-N 2 0 333.476 2.749 10 30 EFEERP C[C@H](CCNC(=O)CCC[NH+](C)C)[NH2+]CC#Cc1ccccc1Cl ZINC001567227975 1416003050 /nfs/dbraw/zinc/00/30/50/1416003050.db2.gz MGXMDXHNEXMGGZ-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567254522 1416025784 /nfs/dbraw/zinc/02/57/84/1416025784.db2.gz OYFOTYGELJXUKB-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2C[C@H](C)CC)CC1 ZINC001567266845 1416046476 /nfs/dbraw/zinc/04/64/76/1416046476.db2.gz OASHUZFJCHXJSW-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567267393 1416046831 /nfs/dbraw/zinc/04/68/31/1416046831.db2.gz XBLHZJIPKOKNFE-FQEVSTJZSA-N 2 0 341.499 2.746 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001567634367 1416219407 /nfs/dbraw/zinc/21/94/07/1416219407.db2.gz URQAFTNTSQCQQD-HNNXBMFYSA-N 2 0 329.916 2.688 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([C@@H](C)[NH2+]CCC(C)C)CC2)CC1 ZINC001567634788 1416220050 /nfs/dbraw/zinc/22/00/50/1416220050.db2.gz RECMKRFOLDAYCQ-GOSISDBHSA-N 2 0 347.547 2.594 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001567661397 1416235318 /nfs/dbraw/zinc/23/53/18/1416235318.db2.gz YCHXLELRHRPCKR-LJQANCHMSA-N 2 0 341.499 2.720 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC001567663375 1416236379 /nfs/dbraw/zinc/23/63/79/1416236379.db2.gz HZSDKLRETFDNRX-HXUWFJFHSA-N 2 0 337.467 2.995 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567702422 1416254479 /nfs/dbraw/zinc/25/44/79/1416254479.db2.gz CUZDPZZAJJECES-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[N@@H+](C)CC1CCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001567752722 1416273458 /nfs/dbraw/zinc/27/34/58/1416273458.db2.gz MCDYEMCVGRUFDL-UHFFFAOYSA-N 2 0 343.515 2.865 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752254 1416273822 /nfs/dbraw/zinc/27/38/22/1416273822.db2.gz LCXNQWGWMLKOQL-MJGOQNOKSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001567866266 1416303760 /nfs/dbraw/zinc/30/37/60/1416303760.db2.gz JXQMNUWAGFAVKP-FHWLQOOXSA-N 2 0 333.520 2.892 10 30 EFEERP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567940603 1416335835 /nfs/dbraw/zinc/33/58/35/1416335835.db2.gz JLZAJINKWVQLGM-LJQANCHMSA-N 2 0 333.520 2.587 10 30 EFEERP CC#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001568040098 1416371473 /nfs/dbraw/zinc/37/14/73/1416371473.db2.gz JEPWDTGEANYMBN-YLJYHZDGSA-N 2 0 335.536 2.642 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001568056575 1416382496 /nfs/dbraw/zinc/38/24/96/1416382496.db2.gz GJVQUFABTAZABH-IAGOWNOFSA-N 2 0 341.927 2.830 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001568127378 1416420229 /nfs/dbraw/zinc/42/02/29/1416420229.db2.gz DHQFMJMHVZRARR-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP C#CCC[NH+]1CCC(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001568131893 1416421848 /nfs/dbraw/zinc/42/18/48/1416421848.db2.gz ZOWQTUSGYVPTJR-UHFFFAOYSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568146331 1416424963 /nfs/dbraw/zinc/42/49/63/1416424963.db2.gz QZOPMRJIVQIKRH-VQIMIIECSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568146330 1416425188 /nfs/dbraw/zinc/42/51/88/1416425188.db2.gz QZOPMRJIVQIKRH-APWZRJJASA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001568251531 1416455957 /nfs/dbraw/zinc/45/59/57/1416455957.db2.gz SGRRNLLTKQWMIV-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001568330917 1416479437 /nfs/dbraw/zinc/47/94/37/1416479437.db2.gz HTXIRXHBELYOLJ-IEBWSBKVSA-N 2 0 333.520 2.537 10 30 EFEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001568330919 1416479590 /nfs/dbraw/zinc/47/95/90/1416479590.db2.gz HTXIRXHBELYOLJ-PKOBYXMFSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001568348847 1416486058 /nfs/dbraw/zinc/48/60/58/1416486058.db2.gz KLVBOKHSUXXLGX-MJGOQNOKSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC(C)C)C2CCCCC2)CC1 ZINC001568349555 1416486621 /nfs/dbraw/zinc/48/66/21/1416486621.db2.gz YRHQZZRJAFFUIQ-FQEVSTJZSA-N 2 0 347.547 2.642 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCCCC)CC1 ZINC001568399965 1416514917 /nfs/dbraw/zinc/51/49/17/1416514917.db2.gz AMEWPGJFSAOIKK-HXUWFJFHSA-N 2 0 347.547 2.883 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCCCC)CC1 ZINC001568399964 1416514964 /nfs/dbraw/zinc/51/49/64/1416514964.db2.gz AMEWPGJFSAOIKK-FQEVSTJZSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001568406753 1416518131 /nfs/dbraw/zinc/51/81/31/1416518131.db2.gz LKUVEBFMXAHKID-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568425968 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ZINC001716954032 1419108063 /nfs/dbraw/zinc/10/80/63/1419108063.db2.gz MQKBEXNIOOUHBR-SUMDDJOVSA-N 2 0 329.488 2.522 10 30 EFEERP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717005735 1419141705 /nfs/dbraw/zinc/14/17/05/1419141705.db2.gz MNYIVCNCWMUXIT-HXUWFJFHSA-N 2 0 341.499 2.503 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111227 1419215894 /nfs/dbraw/zinc/21/58/94/1419215894.db2.gz NWMVSCFAPSVIHB-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717112935 1419217335 /nfs/dbraw/zinc/21/73/35/1419217335.db2.gz QNMXCHBGFMEDNJ-FQEVSTJZSA-N 2 0 341.499 2.632 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001717115861 1419219715 /nfs/dbraw/zinc/21/97/15/1419219715.db2.gz PIVJJIZTQMWBRA-FXAWDEMLSA-N 2 0 341.499 2.709 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001717118206 1419221786 /nfs/dbraw/zinc/22/17/86/1419221786.db2.gz OYVKTDSZCJLRKV-GOSISDBHSA-N 2 0 341.499 2.853 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001717122337 1419224160 /nfs/dbraw/zinc/22/41/60/1419224160.db2.gz AGILBNXEXWZCJX-NCXUSEDFSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001717242085 1419283165 /nfs/dbraw/zinc/28/31/65/1419283165.db2.gz LIKIRUDIIXBXPK-UHFFFAOYSA-N 2 0 333.520 2.637 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001717242212 1419283442 /nfs/dbraw/zinc/28/34/42/1419283442.db2.gz PSMGFXWPLQTQHV-UHFFFAOYSA-N 2 0 341.499 2.746 10 30 EFEERP C#CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717242987 1419284708 /nfs/dbraw/zinc/28/47/08/1419284708.db2.gz UIHUAAGFAZGHPJ-UYAOXDASSA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCC(C)C)CC2)CC1 ZINC001717304732 1419317435 /nfs/dbraw/zinc/31/74/35/1419317435.db2.gz QNMGKFDWWPGQIV-UHFFFAOYSA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001717311559 1419323650 /nfs/dbraw/zinc/32/36/50/1419323650.db2.gz CUWGJLHUWHWRGJ-MOPGFXCFSA-N 2 0 341.499 2.529 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717357095 1419351492 /nfs/dbraw/zinc/35/14/92/1419351492.db2.gz WZWOWCJOKGGSIT-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001717368775 1419362326 /nfs/dbraw/zinc/36/23/26/1419362326.db2.gz FMGDEEBHXWTCBV-ZWKOTPCHSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717374032 1419366685 /nfs/dbraw/zinc/36/66/85/1419366685.db2.gz QDDUPTRATMCIJN-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)[C@H](C)CCC=C)CC1 ZINC001717376573 1419368092 /nfs/dbraw/zinc/36/80/92/1419368092.db2.gz UCCICDXJBDEWOD-UYAOXDASSA-N 2 0 345.531 2.609 10 30 EFEERP C#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001717377462 1419368898 /nfs/dbraw/zinc/36/88/98/1419368898.db2.gz CDSUGAXJZPSLJI-PMACEKPBSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377239 1419369062 /nfs/dbraw/zinc/36/90/62/1419369062.db2.gz AQXXKXJKZZGKFZ-OALUTQOASA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001717377811 1419369831 /nfs/dbraw/zinc/36/98/31/1419369831.db2.gz OREKQXSMACKSCS-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001717523759 1419426649 /nfs/dbraw/zinc/42/66/49/1419426649.db2.gz DFWCSGMOVFJQQA-MSOLQXFVSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001717537522 1419434097 /nfs/dbraw/zinc/43/40/97/1419434097.db2.gz GLOXTIYQTFTJML-IAGOWNOFSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001717629229 1419477995 /nfs/dbraw/zinc/47/79/95/1419477995.db2.gz NKBQPRWYFXFVQC-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717690910 1419508261 /nfs/dbraw/zinc/50/82/61/1419508261.db2.gz RMGFOSBJSIUVSL-OAHLLOKOSA-N 2 0 329.916 2.734 10 30 EFEERP C=CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001717717170 1419523808 /nfs/dbraw/zinc/52/38/08/1419523808.db2.gz QYTAOHFCNVKVKR-WOJBJXKFSA-N 2 0 341.499 2.742 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001717845156 1419574523 /nfs/dbraw/zinc/57/45/23/1419574523.db2.gz CUMSRHOKXAMBPU-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+][C@H](C)CCC=C)C(C)(C)C2)CC1 ZINC001717905829 1419612785 /nfs/dbraw/zinc/61/27/85/1419612785.db2.gz UMBIXGHPXKDBIC-IEBWSBKVSA-N 2 0 345.531 2.513 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+][C@H](C)CCC=C)C(C)(C)C2)CC1 ZINC001717905831 1419612967 /nfs/dbraw/zinc/61/29/67/1419612967.db2.gz UMBIXGHPXKDBIC-MJGOQNOKSA-N 2 0 345.531 2.513 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c(F)c1 ZINC001718036543 1419673742 /nfs/dbraw/zinc/67/37/42/1419673742.db2.gz QQJLRZAKWUVUEV-IBGZPJMESA-N 2 0 347.478 2.838 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)c(F)c1 ZINC001718036434 1419673834 /nfs/dbraw/zinc/67/38/34/1419673834.db2.gz NGDUYFBEPVVWMX-FQEVSTJZSA-N 2 0 345.462 2.594 10 30 EFEERP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001722945684 1424379446 /nfs/dbraw/zinc/37/94/46/1424379446.db2.gz QQSPRXCORGABBP-HKUYNNGSSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001722956142 1424384556 /nfs/dbraw/zinc/38/45/56/1424384556.db2.gz UDLVRSRNIXJPTK-MOPGFXCFSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958052 1424387317 /nfs/dbraw/zinc/38/73/17/1424387317.db2.gz UQYYGBRUFOMNSR-UXHICEINSA-N 2 0 345.531 2.562 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001722958001 1424387470 /nfs/dbraw/zinc/38/74/70/1424387470.db2.gz TVHPGRSROWOISF-RTBURBONSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001723378654 1424480383 /nfs/dbraw/zinc/48/03/83/1424480383.db2.gz QENOTCRHPROKDV-RBUKOAKNSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001723616402 1424537304 /nfs/dbraw/zinc/53/73/04/1424537304.db2.gz AJAGHRCFJAWVPM-QBUWPKIASA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001723632172 1424540084 /nfs/dbraw/zinc/54/00/84/1424540084.db2.gz MYWDWWSZOVJZAA-QRQLOZEOSA-N 2 0 333.520 2.748 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001723640305 1424543174 /nfs/dbraw/zinc/54/31/74/1424543174.db2.gz MEXWSIYTKANYOU-HXUWFJFHSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001723691051 1424558224 /nfs/dbraw/zinc/55/82/24/1424558224.db2.gz MEYVOKYIASHSTM-OAQYLSRUSA-N 2 0 341.499 2.619 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727271 1424570693 /nfs/dbraw/zinc/57/06/93/1424570693.db2.gz QPMHOSZICFGBFZ-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC001723864660 1424598794 /nfs/dbraw/zinc/59/87/94/1424598794.db2.gz XBKAIIUMYLZGDV-QUCCMNQESA-N 2 0 343.515 2.706 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001724064668 1424642869 /nfs/dbraw/zinc/64/28/69/1424642869.db2.gz HLUSQQYYYDGABS-RTBURBONSA-N 2 0 345.531 2.752 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)c1ccc2ccccc2c1 ZINC001724071448 1424645116 /nfs/dbraw/zinc/64/51/16/1424645116.db2.gz MCJLSOCOKKWGII-HXUWFJFHSA-N 2 0 337.467 2.560 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001724085429 1424651174 /nfs/dbraw/zinc/65/11/74/1424651174.db2.gz QPPWHSOWQMPSAJ-KRWDZBQOSA-N 2 0 347.528 2.711 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724094268 1424654177 /nfs/dbraw/zinc/65/41/77/1424654177.db2.gz HITWNZIGBLOPGQ-UXHICEINSA-N 2 0 345.531 2.681 10 30 EFEERP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001724125271 1424666817 /nfs/dbraw/zinc/66/68/17/1424666817.db2.gz CDLWVYMXYCDAMO-IEBWSBKVSA-N 2 0 339.499 2.557 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001724271576 1424718772 /nfs/dbraw/zinc/71/87/72/1424718772.db2.gz DFODYURVWRLXNT-WIYYLYMNSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724380204 1424752397 /nfs/dbraw/zinc/75/23/97/1424752397.db2.gz MMWQWARJCAVPHD-HNNXBMFYSA-N 2 0 343.462 2.510 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724545573 1424790496 /nfs/dbraw/zinc/79/04/96/1424790496.db2.gz BVZROJCBKOYWDH-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001724597982 1424814252 /nfs/dbraw/zinc/81/42/52/1424814252.db2.gz FNAVXFMJCTWRJU-FKSLSLAPSA-N 2 0 333.520 2.652 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724606427 1424823948 /nfs/dbraw/zinc/82/39/48/1424823948.db2.gz HITYOFVESXUGJX-WGSAOQKQSA-N 2 0 347.547 2.786 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001724623822 1424848879 /nfs/dbraw/zinc/84/88/79/1424848879.db2.gz TZRQPVTUTOQFQG-KDURUIRLSA-N 2 0 347.547 2.975 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@H]2C1 ZINC001724632473 1424856561 /nfs/dbraw/zinc/85/65/61/1424856561.db2.gz XBNQNUMZQTUOBO-OKZBNKHCSA-N 2 0 344.503 2.725 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001724744208 1424973181 /nfs/dbraw/zinc/97/31/81/1424973181.db2.gz OKPIEZISTLCGIO-YLJYHZDGSA-N 2 0 341.499 2.851 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724754379 1424984749 /nfs/dbraw/zinc/98/47/49/1424984749.db2.gz JRWIEYUCNPCDBD-MKXGPGLRSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001724759117 1424989156 /nfs/dbraw/zinc/98/91/56/1424989156.db2.gz INYSXLMRPLPYND-IBGZPJMESA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001724760604 1424992045 /nfs/dbraw/zinc/99/20/45/1424992045.db2.gz VPMYNCQVLCZWOP-UHFFFAOYSA-N 2 0 331.504 2.505 10 30 EFEERP C=C(C)C[NH+]1CCc2c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001724776184 1425003414 /nfs/dbraw/zinc/00/34/14/1425003414.db2.gz HNVBYKLTNNXIAY-QGZVFWFLSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001724866087 1425082237 /nfs/dbraw/zinc/08/22/37/1425082237.db2.gz ZVPNUTZVXJFEHM-OALUTQOASA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001724901307 1425121592 /nfs/dbraw/zinc/12/15/92/1425121592.db2.gz YMVIWMSKYTXKRA-OAQYLSRUSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001724940482 1425150505 /nfs/dbraw/zinc/15/05/05/1425150505.db2.gz AURVYAWHQFNOPP-QFBILLFUSA-N 2 0 329.488 2.765 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)C)[C@H](C)C2)CC1 ZINC001725000085 1425214105 /nfs/dbraw/zinc/21/41/05/1425214105.db2.gz FZNAXQLTPMOBNX-UYAOXDASSA-N 2 0 347.547 2.737 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725026310 1425236364 /nfs/dbraw/zinc/23/63/64/1425236364.db2.gz KVRXZVBLZCMPTP-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725026096 1425236854 /nfs/dbraw/zinc/23/68/54/1425236854.db2.gz QRBBLGAPJPHFEL-HDICACEKSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001725031750 1425241213 /nfs/dbraw/zinc/24/12/13/1425241213.db2.gz BOMRRKPVMUMYRT-RTBURBONSA-N 2 0 341.499 2.809 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725045612 1425258408 /nfs/dbraw/zinc/25/84/08/1425258408.db2.gz YAGPLFAVVNIEAP-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001725056012 1425266218 /nfs/dbraw/zinc/26/62/18/1425266218.db2.gz PWDWXDPNCZCPDS-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001725055593 1425266249 /nfs/dbraw/zinc/26/62/49/1425266249.db2.gz MUMAHBVECVAYIT-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001725056248 1425268335 /nfs/dbraw/zinc/26/83/35/1425268335.db2.gz SHNOZHCEGMPEMD-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725058998 1425270395 /nfs/dbraw/zinc/27/03/95/1425270395.db2.gz NEAZZRVBCOHGAZ-OALUTQOASA-N 2 0 347.547 2.855 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175713 1425356086 /nfs/dbraw/zinc/35/60/86/1425356086.db2.gz NISBWLXEFMRRQI-JKSUJKDBSA-N 2 0 341.459 2.672 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725183700 1425362847 /nfs/dbraw/zinc/36/28/47/1425362847.db2.gz NQZHGKPNJUMHQW-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC001725213036 1425382466 /nfs/dbraw/zinc/38/24/66/1425382466.db2.gz IHMBCNVHUQOWKF-VQIMIIECSA-N 2 0 341.515 2.848 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725331580 1425473586 /nfs/dbraw/zinc/47/35/86/1425473586.db2.gz CCFDNQGEMCSYPG-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001725337288 1425481907 /nfs/dbraw/zinc/48/19/07/1425481907.db2.gz OWJZBTNKRBLEIB-OKZBNKHCSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001725352153 1425500154 /nfs/dbraw/zinc/50/01/54/1425500154.db2.gz GDIZHWGLBXHHQN-KZNAEPCWSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001725424193 1425570197 /nfs/dbraw/zinc/57/01/97/1425570197.db2.gz IUKKKQYDTVJTFY-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001725428240 1425575225 /nfs/dbraw/zinc/57/52/25/1425575225.db2.gz ZRVGXBBPKANURN-MRXNPFEDSA-N 2 0 332.492 2.630 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001725428239 1425575345 /nfs/dbraw/zinc/57/53/45/1425575345.db2.gz ZRVGXBBPKANURN-INIZCTEOSA-N 2 0 332.492 2.630 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001725442143 1425584525 /nfs/dbraw/zinc/58/45/25/1425584525.db2.gz HUXVQJKRIGXPSE-MRXNPFEDSA-N 2 0 335.517 2.567 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001725627732 1425725163 /nfs/dbraw/zinc/72/51/63/1425725163.db2.gz OTGXLGCJCICERE-VAMGGRTRSA-N 2 0 347.547 2.900 10 30 EFEERP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C(F)(F)F ZINC001725779821 1425845350 /nfs/dbraw/zinc/84/53/50/1425845350.db2.gz GNIITXREFNZRCK-KGLIPLIRSA-N 2 0 349.441 2.519 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001731295420 1426372712 /nfs/dbraw/zinc/37/27/12/1426372712.db2.gz NWYXOWORUFQMHQ-HNAYVOBHSA-N 2 0 338.455 2.639 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)C(C)C ZINC000891940476 715166197 /nfs/dbraw/zinc/16/61/97/715166197.db2.gz PLLDBUUAYWZBNG-CEXWTWQISA-N 2 0 348.535 2.563 10 30 EFEERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000066243169 718160457 /nfs/dbraw/zinc/16/04/57/718160457.db2.gz GVUOSSMEEBLEMJ-LPHOPBHVSA-N 2 0 344.503 2.502 10 30 EFEERP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000895380516 724087479 /nfs/dbraw/zinc/08/74/79/724087479.db2.gz ZGAUQWHAAUECRL-MAUKXSAKSA-N 2 0 325.460 2.758 10 30 EFEERP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000895380517 724087675 /nfs/dbraw/zinc/08/76/75/724087675.db2.gz ZGAUQWHAAUECRL-QAPCUYQASA-N 2 0 325.460 2.758 10 30 EFEERP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000085789179 725443775 /nfs/dbraw/zinc/44/37/75/725443775.db2.gz QRDZKDJRCAFVEX-QGZVFWFLSA-N 2 0 330.476 2.550 10 30 EFEERP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000085789182 725443825 /nfs/dbraw/zinc/44/38/25/725443825.db2.gz QRDZKDJRCAFVEX-KRWDZBQOSA-N 2 0 330.476 2.550 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000908300688 727158158 /nfs/dbraw/zinc/15/81/58/727158158.db2.gz NZBKCQMOCOUXJM-HXUWFJFHSA-N 2 0 343.515 2.913 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757131 728238853 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VXDVIKIDSVYMRR-GOEBONIOSA-N 2 0 326.444 2.802 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CCC2CCCC2)CC1 ZINC001569595229 1085418610 /nfs/dbraw/zinc/41/86/10/1085418610.db2.gz IBOBMXANZLCSIS-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001569595749 1085419985 /nfs/dbraw/zinc/41/99/85/1085419985.db2.gz ZNJFDJNTVFMSAF-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCC1 ZINC001569613217 1085439221 /nfs/dbraw/zinc/43/92/21/1085439221.db2.gz BZPUSIDUBGQOFF-UXHICEINSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC001569614604 1085440252 /nfs/dbraw/zinc/44/02/52/1085440252.db2.gz YCVNJKFTEAGUSA-ICSRJNTNSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001569625433 1085453375 /nfs/dbraw/zinc/45/33/75/1085453375.db2.gz WOAAJESYBBUVED-QUCCMNQESA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001569690319 1085520375 /nfs/dbraw/zinc/52/03/75/1085520375.db2.gz KPOYLZQWSYMQMO-NRFANRHFSA-N 2 0 347.547 2.903 10 30 EFEERP C#CC[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001569708804 1085538581 /nfs/dbraw/zinc/53/85/81/1085538581.db2.gz JLLPGWVZSFNCRC-UHFFFAOYSA-N 2 0 345.487 2.587 10 30 EFEERP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001569716416 1085551707 /nfs/dbraw/zinc/55/17/07/1085551707.db2.gz XDVVWEGRPNEXKR-TZIWHRDSSA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799515 1085615115 /nfs/dbraw/zinc/61/51/15/1085615115.db2.gz GDCIEFOSKVICQL-UXHICEINSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799517 1085615587 /nfs/dbraw/zinc/61/55/87/1085615587.db2.gz GDCIEFOSKVICQL-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001569801865 1085617393 /nfs/dbraw/zinc/61/73/93/1085617393.db2.gz JNZPTZKUVNZJNK-PMACEKPBSA-N 2 0 341.499 2.504 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001569801138 1085617639 /nfs/dbraw/zinc/61/76/39/1085617639.db2.gz YYDOISBRRVOVBL-POAQFYNOSA-N 2 0 343.515 2.912 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1CC ZINC001569802440 1085619207 /nfs/dbraw/zinc/61/92/07/1085619207.db2.gz VHFLTHFDHZMMIW-PXNSSMCTSA-N 2 0 343.515 2.914 10 30 EFEERP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001569813812 1085632554 /nfs/dbraw/zinc/63/25/54/1085632554.db2.gz MWWZGKNQCCAJFV-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001569858866 1085683278 /nfs/dbraw/zinc/68/32/78/1085683278.db2.gz DIPRUYPUVGWIHF-AKHDSKFASA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001569869313 1085698317 /nfs/dbraw/zinc/69/83/17/1085698317.db2.gz RPBZVNZSJQKQQA-UXHICEINSA-N 2 0 341.499 2.808 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001569915156 1085759630 /nfs/dbraw/zinc/75/96/30/1085759630.db2.gz OIXKDNJOASUIIV-OALUTQOASA-N 2 0 333.520 2.894 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001569998673 1085840386 /nfs/dbraw/zinc/84/03/86/1085840386.db2.gz RMJZEAGLWPDMRO-RTBURBONSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001570026836 1085876083 /nfs/dbraw/zinc/87/60/83/1085876083.db2.gz LLILUVJXFJLHCC-WOJBJXKFSA-N 2 0 341.499 2.938 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001570031371 1085882345 /nfs/dbraw/zinc/88/23/45/1085882345.db2.gz NCPWOMQYQBDPTR-FFZOFVMBSA-N 2 0 341.499 2.707 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031451 1085883833 /nfs/dbraw/zinc/88/38/33/1085883833.db2.gz PJEASIYADXZDLP-XLIONFOSSA-N 2 0 341.499 2.850 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001570048234 1085902237 /nfs/dbraw/zinc/90/22/37/1085902237.db2.gz ANDHJXCHBWUXED-FHWLQOOXSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001570219635 1086060577 /nfs/dbraw/zinc/06/05/77/1086060577.db2.gz FEMFAQJFQOCLBH-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570219808 1086060718 /nfs/dbraw/zinc/06/07/18/1086060718.db2.gz HNPHYHAUAOKDCU-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220873 1086061254 /nfs/dbraw/zinc/06/12/54/1086061254.db2.gz XWCTWEDVFOOFKM-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001570220871 1086062834 /nfs/dbraw/zinc/06/28/34/1086062834.db2.gz XWCTWEDVFOOFKM-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC(CC)([NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001570265570 1086098824 /nfs/dbraw/zinc/09/88/24/1086098824.db2.gz SGGIPFPMBJHTMN-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001570269001 1086102186 /nfs/dbraw/zinc/10/21/86/1086102186.db2.gz MMTAXTVTKQBHOZ-VQTJNVASSA-N 2 0 341.499 2.590 10 30 EFEERP C=CCC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001570380899 1086183775 /nfs/dbraw/zinc/18/37/75/1086183775.db2.gz OKEAYTQPRKMEPL-IBGZPJMESA-N 2 0 339.499 2.746 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001570393270 1086193920 /nfs/dbraw/zinc/19/39/20/1086193920.db2.gz FXQIXHWMXVDWNP-IRXDYDNUSA-N 2 0 341.515 2.849 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001570400302 1086205680 /nfs/dbraw/zinc/20/56/80/1086205680.db2.gz WMMOXAGOAUTQNI-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001570405690 1086208758 /nfs/dbraw/zinc/20/87/58/1086208758.db2.gz DSMDTIWDWNOZOD-UHFFFAOYSA-N 2 0 343.515 2.664 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001570485363 1086278935 /nfs/dbraw/zinc/27/89/35/1086278935.db2.gz IGENPLMCQZMHJB-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001570501320 1086286911 /nfs/dbraw/zinc/28/69/11/1086286911.db2.gz JYCDRDPRYQLVBJ-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001570504871 1086292730 /nfs/dbraw/zinc/29/27/30/1086292730.db2.gz YARARNWQJHKVMK-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC/C=C\CC)CC1 ZINC001570549081 1086348560 /nfs/dbraw/zinc/34/85/60/1086348560.db2.gz UFMGAEQTQSIMCF-HCZHMGAMSA-N 2 0 345.531 2.611 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCCCC)CC1 ZINC001570548962 1086348859 /nfs/dbraw/zinc/34/88/59/1086348859.db2.gz SQZGCSCHCJKOJC-FQEVSTJZSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC/C=C/CC)CC1 ZINC001570549084 1086349855 /nfs/dbraw/zinc/34/98/55/1086349855.db2.gz UFMGAEQTQSIMCF-ROUKRRSUSA-N 2 0 345.531 2.611 10 30 EFEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001570570533 1086373253 /nfs/dbraw/zinc/37/32/53/1086373253.db2.gz DLJBPMRAUPRDPI-TVPLGVNVSA-N 2 0 333.520 2.844 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001570653291 1086437277 /nfs/dbraw/zinc/43/72/77/1086437277.db2.gz PKACBCCWOQPPPO-MSOLQXFVSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001570689432 1086463111 /nfs/dbraw/zinc/46/31/11/1086463111.db2.gz ZDYTWIPENGTOLI-PXNSSMCTSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC001571059530 1086657770 /nfs/dbraw/zinc/65/77/70/1086657770.db2.gz MMXYOPNCKRRQLA-UIFIKXQLSA-N 2 0 347.547 2.996 10 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ZINC001571510622 1086915798 /nfs/dbraw/zinc/91/57/98/1086915798.db2.gz HHXRYZCHFTXHHK-GUDVDZBRSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001571510621 1086915997 /nfs/dbraw/zinc/91/59/97/1086915997.db2.gz HHXRYZCHFTXHHK-GBESFXJTSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001571559380 1086960689 /nfs/dbraw/zinc/96/06/89/1086960689.db2.gz DFRPJUULEBHZTI-IRXDYDNUSA-N 2 0 333.520 2.796 10 30 EFEERP C#CCC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001571611541 1086987209 /nfs/dbraw/zinc/98/72/09/1086987209.db2.gz CWIANRJWWVGCMF-IBGZPJMESA-N 2 0 347.547 2.833 10 30 EFEERP C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001571611542 1086987834 /nfs/dbraw/zinc/98/78/34/1086987834.db2.gz CWIANRJWWVGCMF-LJQANCHMSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001571687153 1087049265 /nfs/dbraw/zinc/04/92/65/1087049265.db2.gz VAGGWJDMUWOPJG-PKOBYXMFSA-N 2 0 333.520 2.962 10 30 EFEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001571699889 1087071103 /nfs/dbraw/zinc/07/11/03/1087071103.db2.gz IQPNFLNJEYHMJR-UHFFFAOYSA-N 2 0 333.520 2.967 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c(F)c1 ZINC001571702979 1087076240 /nfs/dbraw/zinc/07/62/40/1087076240.db2.gz PLFAWVIXJHRXGP-HKUYNNGSSA-N 2 0 345.462 2.734 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001585127756 1092379183 /nfs/dbraw/zinc/37/91/83/1092379183.db2.gz CDQFCCHZJMTLCJ-CEXWTWQISA-N 2 0 335.536 2.922 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@@H](C)c1ccccc1 ZINC001649436665 1092457979 /nfs/dbraw/zinc/45/79/79/1092457979.db2.gz HODIOMKBAKAYCJ-ICSRJNTNSA-N 2 0 341.499 2.673 10 30 EFEERP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001649459338 1092492529 /nfs/dbraw/zinc/49/25/29/1092492529.db2.gz MRHQWLFEMIWHED-SFHVURJKSA-N 2 0 333.520 2.940 10 30 EFEERP C[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001267144590 1092900910 /nfs/dbraw/zinc/90/09/10/1092900910.db2.gz BIJQNSQUHZATQX-SFHVURJKSA-N 2 0 343.515 2.500 10 30 EFEERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267151889 1092929280 /nfs/dbraw/zinc/92/92/80/1092929280.db2.gz FKTSFNLVJOWQCF-CRAIPNDOSA-N 2 0 349.906 2.516 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267163873 1093011175 /nfs/dbraw/zinc/01/11/75/1093011175.db2.gz BJJPNPYDQVQLJB-IRXDYDNUSA-N 2 0 341.927 2.973 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267180945 1093100636 /nfs/dbraw/zinc/10/06/36/1093100636.db2.gz DRUUBWAYRHKMAE-SJORKVTESA-N 2 0 341.927 2.974 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001267196749 1093159706 /nfs/dbraw/zinc/15/97/06/1093159706.db2.gz MVTUQKQCRCWSMH-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267267134 1093426499 /nfs/dbraw/zinc/42/64/99/1093426499.db2.gz LNTDNBIZWQQDMZ-OALUTQOASA-N 2 0 335.536 2.879 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001267346655 1093634234 /nfs/dbraw/zinc/63/42/34/1093634234.db2.gz VCPLDZUGJXVLFC-VQTJNVASSA-N 2 0 343.515 2.776 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481092697 1094422311 /nfs/dbraw/zinc/42/23/11/1094422311.db2.gz MZFRNTZIUYNMBK-HKUYNNGSSA-N 2 0 333.520 2.513 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001481094261 1094450152 /nfs/dbraw/zinc/45/01/52/1094450152.db2.gz QXCZHTHHGPFRPK-DLBZAZTESA-N 2 0 344.503 2.555 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481459842 1094658269 /nfs/dbraw/zinc/65/82/69/1094658269.db2.gz LVNQXMNQSRSWHM-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001268044366 1094775591 /nfs/dbraw/zinc/77/55/91/1094775591.db2.gz DHFCOBRQSIZTJH-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481125616 1094848398 /nfs/dbraw/zinc/84/83/98/1094848398.db2.gz DPMNPASSZVDQFX-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001267488336 1094918812 /nfs/dbraw/zinc/91/88/12/1094918812.db2.gz JDZFYKLMTMUDAU-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267492774 1094952816 /nfs/dbraw/zinc/95/28/16/1094952816.db2.gz MIASHTUVGPIFCJ-IAGOWNOFSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001267495996 1094982225 /nfs/dbraw/zinc/98/22/25/1094982225.db2.gz JVYWVYYOKOYIGO-AZUAARDMSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001481521732 1095090912 /nfs/dbraw/zinc/09/09/12/1095090912.db2.gz PAWIMFXRVBKIIV-UHFFFAOYSA-N 2 0 345.487 2.539 10 30 EFEERP C=CCCCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001481521288 1095097361 /nfs/dbraw/zinc/09/73/61/1095097361.db2.gz XUBAEKMJNCWFLP-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC2CC(C)C2)C(C)C)CC1 ZINC001267512357 1095147866 /nfs/dbraw/zinc/14/78/66/1095147866.db2.gz IIFBDKOIKRPJTO-UHFFFAOYSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001267521527 1095225252 /nfs/dbraw/zinc/22/52/52/1095225252.db2.gz SRKNZZWSUUSAAP-SFHVURJKSA-N 2 0 327.472 2.638 10 30 EFEERP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268087717 1095254784 /nfs/dbraw/zinc/25/47/84/1095254784.db2.gz RJKSPBXEOSZECO-SXLOBPIMSA-N 2 0 343.515 2.735 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC/C=C\CCC)C1 ZINC001267658798 1095363923 /nfs/dbraw/zinc/36/39/23/1095363923.db2.gz RUHQKHJOVRMEKY-KGMDJONISA-N 2 0 345.531 2.611 10 30 EFEERP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001268106174 1095367495 /nfs/dbraw/zinc/36/74/95/1095367495.db2.gz RVDMFTLXRVFBST-MOPGFXCFSA-N 2 0 347.547 2.785 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001268121436 1095413000 /nfs/dbraw/zinc/41/30/00/1095413000.db2.gz ACMYUBXEFMNZEZ-MJGOQNOKSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001267542499 1095426969 /nfs/dbraw/zinc/42/69/69/1095426969.db2.gz XWRLSNLJAQLWJF-GVDBMIGSSA-N 2 0 330.476 2.792 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001267682491 1095438701 /nfs/dbraw/zinc/43/87/01/1095438701.db2.gz AGVNSNVSKUCDLE-CQSZACIVSA-N 2 0 335.517 2.826 10 30 EFEERP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001267686389 1095448947 /nfs/dbraw/zinc/44/89/47/1095448947.db2.gz QLNFFQNIHVNRAW-OALUTQOASA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001268138148 1095476097 /nfs/dbraw/zinc/47/60/97/1095476097.db2.gz PSDDFJIDVKREQQ-VQIMIIECSA-N 2 0 329.488 2.765 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@H](C)C2)CC1 ZINC001268141479 1095491896 /nfs/dbraw/zinc/49/18/96/1095491896.db2.gz LDKNDOHBTRHFBL-MJGOQNOKSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267557854 1095519640 /nfs/dbraw/zinc/51/96/40/1095519640.db2.gz NVGQKWGOBMBCKZ-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267558216 1095522876 /nfs/dbraw/zinc/52/28/76/1095522876.db2.gz URICAJDRRXMXMG-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001493376505 1095529323 /nfs/dbraw/zinc/52/93/23/1095529323.db2.gz FAZJZPYDXRQPLO-IBGZPJMESA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001267708081 1095556085 /nfs/dbraw/zinc/55/60/85/1095556085.db2.gz DXTLAFFIRFCWOD-OALUTQOASA-N 2 0 345.531 2.894 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267707966 1095557275 /nfs/dbraw/zinc/55/72/75/1095557275.db2.gz ILWZWIUCLNWEJJ-SFHVURJKSA-N 2 0 329.488 2.718 10 30 EFEERP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001267562690 1095563699 /nfs/dbraw/zinc/56/36/99/1095563699.db2.gz MIWNTNDEFFOEED-AZUAARDMSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268164585 1095668005 /nfs/dbraw/zinc/66/80/05/1095668005.db2.gz BMVGWZBIUNGAKU-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001267730538 1095733424 /nfs/dbraw/zinc/73/34/24/1095733424.db2.gz YRBJKEYZUUYDPK-ZHALLVOQSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267588523 1096009457 /nfs/dbraw/zinc/00/94/57/1096009457.db2.gz CLJRBISACUQXRT-APWZRJJASA-N 2 0 339.499 2.555 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267589106 1096017031 /nfs/dbraw/zinc/01/70/31/1096017031.db2.gz LIVJALCADDSLFM-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268250583 1096178615 /nfs/dbraw/zinc/17/86/15/1096178615.db2.gz FDZSLHXRQGTZPP-UXHICEINSA-N 2 0 343.515 2.688 10 30 EFEERP CC#CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001267601572 1096196243 /nfs/dbraw/zinc/19/62/43/1096196243.db2.gz PMEOVGDZBNNGCL-UHFFFAOYSA-N 2 0 347.547 2.833 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001268265619 1096210577 /nfs/dbraw/zinc/21/05/77/1096210577.db2.gz JFSBXIZXFPKQOV-VQTJNVASSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001268265817 1096213619 /nfs/dbraw/zinc/21/36/19/1096213619.db2.gz BMDDUNRVFUWOOH-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001268273517 1096231356 /nfs/dbraw/zinc/23/13/56/1096231356.db2.gz YQYXTHWVXZIDOQ-RTBURBONSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001481730291 1096437046 /nfs/dbraw/zinc/43/70/46/1096437046.db2.gz HTSASBAEAQXWJM-QZTJIDSGSA-N 2 0 332.492 2.969 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001481730289 1096437085 /nfs/dbraw/zinc/43/70/85/1096437085.db2.gz HTSASBAEAQXWJM-MSOLQXFVSA-N 2 0 332.492 2.969 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001481883697 1096856636 /nfs/dbraw/zinc/85/66/36/1096856636.db2.gz YCCQWEPJNJHGAZ-YLJYHZDGSA-N 2 0 341.499 2.577 10 30 EFEERP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481991242 1097056731 /nfs/dbraw/zinc/05/67/31/1097056731.db2.gz LRNMIKKAZPVPOJ-VQTJNVASSA-N 2 0 347.547 2.739 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482027933 1097111353 /nfs/dbraw/zinc/11/13/53/1097111353.db2.gz UZAVVOFEIILAKV-GUDVDZBRSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001482032040 1097123929 /nfs/dbraw/zinc/12/39/29/1097123929.db2.gz KMJSAHHUYHUHGD-UHFFFAOYSA-N 2 0 341.499 2.987 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001482031979 1097124359 /nfs/dbraw/zinc/12/43/59/1097124359.db2.gz IANAFJURKREUCB-LJQANCHMSA-N 2 0 329.488 2.843 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001482050064 1097176929 /nfs/dbraw/zinc/17/69/29/1097176929.db2.gz QISOQUWSIRJHER-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482103157 1097264291 /nfs/dbraw/zinc/26/42/91/1097264291.db2.gz YBNCZIIIYQZLKN-QZTJIDSGSA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1CC ZINC001269170343 1097916122 /nfs/dbraw/zinc/91/61/22/1097916122.db2.gz YXAMPJIGSNDTKP-MJGOQNOKSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001269346155 1098072673 /nfs/dbraw/zinc/07/26/73/1098072673.db2.gz ZRXWGWISFYINKA-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC001269566976 1098256367 /nfs/dbraw/zinc/25/63/67/1098256367.db2.gz IMGMUFDAECYBCZ-UHFFFAOYSA-N 2 0 333.520 2.683 10 30 EFEERP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001269570127 1098258110 /nfs/dbraw/zinc/25/81/10/1098258110.db2.gz CWBOQYQDMYHYJH-YQQQUEKLSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001482232110 1098263472 /nfs/dbraw/zinc/26/34/72/1098263472.db2.gz ALAKISSJOVKXGN-CVEARBPZSA-N 2 0 339.911 2.774 10 30 EFEERP C=CCCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001269616871 1098295033 /nfs/dbraw/zinc/29/50/33/1098295033.db2.gz UDZLGGWJDFRFQL-IBGZPJMESA-N 2 0 333.520 2.750 10 30 EFEERP CC#CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CCCCCC1 ZINC001269611825 1098296277 /nfs/dbraw/zinc/29/62/77/1098296277.db2.gz SKUDCODACHGZRB-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001269623252 1098297679 /nfs/dbraw/zinc/29/76/79/1098297679.db2.gz STMWTUZHJFBHAK-LJQANCHMSA-N 2 0 326.444 2.707 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001269632463 1098310038 /nfs/dbraw/zinc/31/00/38/1098310038.db2.gz DLAOFRUJDIMZNL-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCCCC2)CCCC[C@H]1C ZINC001269676113 1098349725 /nfs/dbraw/zinc/34/97/25/1098349725.db2.gz GBWQUFRENTYOLT-UYAOXDASSA-N 2 0 333.520 2.540 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001269708964 1098384184 /nfs/dbraw/zinc/38/41/84/1098384184.db2.gz NRYGWCJCOJUXAW-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001269740871 1098412849 /nfs/dbraw/zinc/41/28/49/1098412849.db2.gz IMPPCFYKHPCVJC-IBGZPJMESA-N 2 0 332.492 2.847 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001482242275 1098439822 /nfs/dbraw/zinc/43/98/22/1098439822.db2.gz CIMSWOOISZBCLE-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001482244813 1098463493 /nfs/dbraw/zinc/46/34/93/1098463493.db2.gz IJZPHTHUJNIAKG-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[NH2+]CCC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001269907667 1098514255 /nfs/dbraw/zinc/51/42/55/1098514255.db2.gz FKCLOXVSWPOCGA-LJQANCHMSA-N 2 0 339.499 2.603 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC001269988980 1098571260 /nfs/dbraw/zinc/57/12/60/1098571260.db2.gz KNRGDSMHYPYSOC-DLBZAZTESA-N 2 0 345.487 2.727 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001267911217 1098581863 /nfs/dbraw/zinc/58/18/63/1098581863.db2.gz IPVXOFPQGVPRHP-UHFFFAOYSA-N 2 0 347.547 2.883 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001270035795 1098621886 /nfs/dbraw/zinc/62/18/86/1098621886.db2.gz HCYQKSLNFMYHRW-VAMGGRTRSA-N 2 0 341.499 2.720 10 30 EFEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001267917417 1098637026 /nfs/dbraw/zinc/63/70/26/1098637026.db2.gz FWEDFYUFSGZWMJ-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280162048 1098693885 /nfs/dbraw/zinc/69/38/85/1098693885.db2.gz CJASGTQQQYTFKT-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267937409 1098751277 /nfs/dbraw/zinc/75/12/77/1098751277.db2.gz LBLNLSMMEYSFPO-MOPGFXCFSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001267758697 1098860576 /nfs/dbraw/zinc/86/05/76/1098860576.db2.gz QLGCSVODCUHAHZ-UHFFFAOYSA-N 2 0 329.916 2.641 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267969617 1098981671 /nfs/dbraw/zinc/98/16/71/1098981671.db2.gz JUSHXXWLSSIXGS-LJQANCHMSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001267975543 1099045860 /nfs/dbraw/zinc/04/58/60/1099045860.db2.gz ZTZFVOBOUYRGLJ-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001267975545 1099046145 /nfs/dbraw/zinc/04/61/45/1099046145.db2.gz ZTZFVOBOUYRGLJ-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001270511687 1099160785 /nfs/dbraw/zinc/16/07/85/1099160785.db2.gz DAPCFZARKMPHKC-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001270513007 1099163863 /nfs/dbraw/zinc/16/38/63/1099163863.db2.gz MSTOMXKSNAYVBO-TZIWHRDSSA-N 2 0 347.547 2.999 10 30 EFEERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001267809479 1099349030 /nfs/dbraw/zinc/34/90/30/1099349030.db2.gz MDVROXDNMGTFGM-QZTJIDSGSA-N 2 0 349.906 2.516 10 30 EFEERP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001481335101 1099351351 /nfs/dbraw/zinc/35/13/51/1099351351.db2.gz ONVWJLCVLQGJKV-YLJYHZDGSA-N 2 0 345.531 2.633 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(C(C)C)cc1 ZINC001481359289 1099463827 /nfs/dbraw/zinc/46/38/27/1099463827.db2.gz HAWUUJZSNGIQDD-IBGZPJMESA-N 2 0 341.499 2.674 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001481365903 1099484543 /nfs/dbraw/zinc/48/45/43/1099484543.db2.gz BVUXFMGYBAQXFE-OALUTQOASA-N 2 0 329.488 2.882 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481370892 1099502624 /nfs/dbraw/zinc/50/26/24/1099502624.db2.gz NTJXEEABGKPWPM-RBUKOAKNSA-N 2 0 329.488 2.882 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CCC2=CCCCC2)CC1 ZINC001267832091 1099506287 /nfs/dbraw/zinc/50/62/87/1099506287.db2.gz XLISQCQIVUIXJM-FQEVSTJZSA-N 2 0 345.531 2.707 10 30 EFEERP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001270756326 1099533917 /nfs/dbraw/zinc/53/39/17/1099533917.db2.gz BTZMDTUUYVZHTF-GOSISDBHSA-N 2 0 333.520 2.988 10 30 EFEERP CC#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001270771561 1099546207 /nfs/dbraw/zinc/54/62/07/1099546207.db2.gz KGLHEIXBWLYPOY-UHFFFAOYSA-N 2 0 333.520 2.540 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)Cn2ccnc2C(C)C)C1 ZINC001481408939 1099663756 /nfs/dbraw/zinc/66/37/56/1099663756.db2.gz VKDYBWCMTDDVLC-KRWDZBQOSA-N 2 0 332.492 2.896 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001270845535 1099707401 /nfs/dbraw/zinc/70/74/01/1099707401.db2.gz OJTSWRKZGUNPTQ-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001270857085 1099768449 /nfs/dbraw/zinc/76/84/49/1099768449.db2.gz DBCCSFHVFLLBFF-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001270858200 1099782736 /nfs/dbraw/zinc/78/27/36/1099782736.db2.gz VJNRUXRSNIIVID-QGZVFWFLSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001267887742 1099859331 /nfs/dbraw/zinc/85/93/31/1099859331.db2.gz QALOKHIHROWSAY-HNNXBMFYSA-N 2 0 326.444 2.971 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001482369289 1099874069 /nfs/dbraw/zinc/87/40/69/1099874069.db2.gz WAZDYSAMWATMLV-QGZVFWFLSA-N 2 0 335.536 2.594 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001482432323 1100181073 /nfs/dbraw/zinc/18/10/73/1100181073.db2.gz LRJKXFJVWGKURB-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270999512 1100351541 /nfs/dbraw/zinc/35/15/41/1100351541.db2.gz QCIBFPMQKRAELE-NRFANRHFSA-N 2 0 341.499 2.603 10 30 EFEERP C#CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001271017408 1100380408 /nfs/dbraw/zinc/38/04/08/1100380408.db2.gz PRJWDQBDVOASNF-HXUWFJFHSA-N 2 0 345.487 2.587 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001632591377 1100486217 /nfs/dbraw/zinc/48/62/17/1100486217.db2.gz HEXLBYLAGBARCF-XUVXKRRUSA-N 2 0 341.499 2.521 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)C(C)C ZINC001632735229 1100497727 /nfs/dbraw/zinc/49/77/27/1100497727.db2.gz XVFQBGHVAAAFDL-RTBURBONSA-N 2 0 333.520 2.818 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001671152611 1100498576 /nfs/dbraw/zinc/49/85/76/1100498576.db2.gz COOFGXRAEIZXEE-KRWDZBQOSA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001482469535 1100817704 /nfs/dbraw/zinc/81/77/04/1100817704.db2.gz CBTGYXODXRZKDN-OALUTQOASA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2nccn2C)C[C@@H]1CC 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CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001661097476 1103129562 /nfs/dbraw/zinc/12/95/62/1103129562.db2.gz PYAHGDDOFLSSBF-ICSRJNTNSA-N 2 0 347.547 2.833 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC2CCCC2)C(C)C)CC1 ZINC001271942761 1103133438 /nfs/dbraw/zinc/13/34/38/1103133438.db2.gz WFRSJPFPAYSYMW-HXUWFJFHSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001661722977 1103381841 /nfs/dbraw/zinc/38/18/41/1103381841.db2.gz FRJZRKSDDOZDSX-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001661752509 1103407584 /nfs/dbraw/zinc/40/75/84/1103407584.db2.gz KSIHGJCVRKPNHQ-LJQANCHMSA-N 2 0 347.547 2.596 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001661802782 1103435076 /nfs/dbraw/zinc/43/50/76/1103435076.db2.gz DINFXLNSMPGDSR-GOSISDBHSA-N 2 0 343.515 2.809 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001661943733 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ZINC001672543787 1105868417 /nfs/dbraw/zinc/86/84/17/1105868417.db2.gz QJGPDSRTKCESMT-RTBURBONSA-N 2 0 333.520 2.894 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CCC)cc1 ZINC001672938007 1105944347 /nfs/dbraw/zinc/94/43/47/1105944347.db2.gz OUYQNRYCCHDDCP-PXNSSMCTSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001672943464 1105945156 /nfs/dbraw/zinc/94/51/56/1105945156.db2.gz MOTWCMSRUSKBSJ-WMZOPIPTSA-N 2 0 329.488 2.871 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cncn2C)CC1 ZINC001672990708 1105955178 /nfs/dbraw/zinc/95/51/78/1105955178.db2.gz GIQLTSJIECOUFY-BRWVUGGUSA-N 2 0 332.492 2.582 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001673496497 1106034902 /nfs/dbraw/zinc/03/49/02/1106034902.db2.gz NDPORCJSDXAAKL-RTBURBONSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001673601438 1106053803 /nfs/dbraw/zinc/05/38/03/1106053803.db2.gz LZNHGOXXQFMMEY-UHFFFAOYSA-N 2 0 333.520 2.633 10 30 EFEERP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001673613967 1106055331 /nfs/dbraw/zinc/05/53/31/1106055331.db2.gz GVVDQVAOUWQYIL-UHFFFAOYSA-N 2 0 343.515 2.708 10 30 EFEERP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001673650542 1106067501 /nfs/dbraw/zinc/06/75/01/1106067501.db2.gz KIEWQLPERLZAEV-NRFANRHFSA-N 2 0 347.547 2.836 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C(C)C)cc2C1 ZINC001673769631 1106084930 /nfs/dbraw/zinc/08/49/30/1106084930.db2.gz PFPBDLBNMIKPGI-UHFFFAOYSA-N 2 0 329.488 2.925 10 30 EFEERP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001673765610 1106085778 /nfs/dbraw/zinc/08/57/78/1106085778.db2.gz UELQXATYPYNAOU-UHFFFAOYSA-N 2 0 327.472 2.536 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001673893186 1106098384 /nfs/dbraw/zinc/09/83/84/1106098384.db2.gz QOCXFVCREYNGBO-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001674029083 1106126542 /nfs/dbraw/zinc/12/65/42/1106126542.db2.gz PFWUMHPOJYUAAY-FUHWJXTLSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001674132875 1106143080 /nfs/dbraw/zinc/14/30/80/1106143080.db2.gz BSEFRBYAUORORD-DLBZAZTESA-N 2 0 333.520 2.632 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001674352500 1106176225 /nfs/dbraw/zinc/17/62/25/1106176225.db2.gz CZNKQTRSJKYBBY-UHFFFAOYSA-N 2 0 347.547 2.836 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001674354242 1106177104 /nfs/dbraw/zinc/17/71/04/1106177104.db2.gz ZICUUPNFQJIQDX-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486586 1106202164 /nfs/dbraw/zinc/20/21/64/1106202164.db2.gz MAQNXDBJUYROPR-LJQANCHMSA-N 2 0 329.488 2.861 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499658 1106206657 /nfs/dbraw/zinc/20/66/57/1106206657.db2.gz MLWQNOKJBKSCLD-OALUTQOASA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001674775897 1106254893 /nfs/dbraw/zinc/25/48/93/1106254893.db2.gz YNXKJIJIZQENMT-ROUUACIJSA-N 2 0 345.531 2.705 10 30 EFEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001674840306 1106264773 /nfs/dbraw/zinc/26/47/73/1106264773.db2.gz VECCRFYPRDQPGP-UHFFFAOYSA-N 2 0 335.536 2.737 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001675123997 1106304619 /nfs/dbraw/zinc/30/46/19/1106304619.db2.gz FGBHYYUZYGTOKR-QGZVFWFLSA-N 2 0 349.544 2.909 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001675139764 1106307490 /nfs/dbraw/zinc/30/74/90/1106307490.db2.gz IDYVGXBUVAEYEZ-WOJBJXKFSA-N 2 0 349.563 2.983 10 30 EFEERP C=CC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001675213462 1106316787 /nfs/dbraw/zinc/31/67/87/1106316787.db2.gz HZZBASCJASJQGQ-UHFFFAOYSA-N 2 0 329.488 2.957 10 30 EFEERP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001675234688 1106321037 /nfs/dbraw/zinc/32/10/37/1106321037.db2.gz ZOVIMAAVKQBQFN-CRAIPNDOSA-N 2 0 327.488 2.650 10 30 EFEERP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001675234691 1106321153 /nfs/dbraw/zinc/32/11/53/1106321153.db2.gz ZOVIMAAVKQBQFN-YJBOKZPZSA-N 2 0 327.488 2.650 10 30 EFEERP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001675672919 1106408145 /nfs/dbraw/zinc/40/81/45/1106408145.db2.gz LHGKSODDGRSCMI-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001675677107 1106409387 /nfs/dbraw/zinc/40/93/87/1106409387.db2.gz CRMNQLVGGKCYON-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCCCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001675677071 1106409599 /nfs/dbraw/zinc/40/95/99/1106409599.db2.gz BVIJRILDWGOZOR-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001675678930 1106409616 /nfs/dbraw/zinc/40/96/16/1106409616.db2.gz XRPMYZSKZSVHCA-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC001675693099 1106412376 /nfs/dbraw/zinc/41/23/76/1106412376.db2.gz RBVRIIAPMNKOTC-JYRKZWEQSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001676074788 1106480883 /nfs/dbraw/zinc/48/08/83/1106480883.db2.gz SPVDDMZFCULIRK-GOSISDBHSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001676079197 1106481666 /nfs/dbraw/zinc/48/16/66/1106481666.db2.gz JLZVQOXEMMCETB-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001676837695 1106599055 /nfs/dbraw/zinc/59/90/55/1106599055.db2.gz LSCDEQWHJRRKTD-OKZBNKHCSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001676839198 1106601298 /nfs/dbraw/zinc/60/12/98/1106601298.db2.gz ZSAKRGGTKJCGPX-NZSAHSFTSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001676839197 1106601430 /nfs/dbraw/zinc/60/14/30/1106601430.db2.gz ZSAKRGGTKJCGPX-BHIYHBOVSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001676965022 1106637133 /nfs/dbraw/zinc/63/71/33/1106637133.db2.gz JJPIYHSPQHHONE-HKUYNNGSSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001676999176 1106646357 /nfs/dbraw/zinc/64/63/57/1106646357.db2.gz SIPKOHJHVLUZCP-RBUKOAKNSA-N 2 0 347.547 2.901 10 30 EFEERP CC#CC[N@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001677218988 1106676880 /nfs/dbraw/zinc/67/68/80/1106676880.db2.gz IYMKYZAZZZODHC-UHFFFAOYSA-N 2 0 329.488 2.554 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCC(C)C)C(C)(C)C)CC1 ZINC001677306077 1106694870 /nfs/dbraw/zinc/69/48/70/1106694870.db2.gz AQHOQXMCZZWEJL-IBGZPJMESA-N 2 0 349.563 2.888 10 30 EFEERP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001677603381 1106771392 /nfs/dbraw/zinc/77/13/92/1106771392.db2.gz PJXFAYRWVZSPFM-IBGZPJMESA-N 2 0 337.483 2.523 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1OC ZINC000904389837 1107876781 /nfs/dbraw/zinc/87/67/81/1107876781.db2.gz WHOLFRPJRCMNQF-KRWDZBQOSA-N 2 0 346.471 2.590 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001272565868 1108673635 /nfs/dbraw/zinc/67/36/35/1108673635.db2.gz PIFCSBNZROWBCU-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001483800367 1112459380 /nfs/dbraw/zinc/45/93/80/1112459380.db2.gz YHIKIGZZCJVJKO-LJQANCHMSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001483802797 1112466745 /nfs/dbraw/zinc/46/67/45/1112466745.db2.gz VAMMEOVDWQFDOB-IAGOWNOFSA-N 2 0 341.927 2.784 10 30 EFEERP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001483805207 1112473400 /nfs/dbraw/zinc/47/34/00/1112473400.db2.gz ZOBGXERTOAHLQN-NXEWRWPSSA-N 2 0 345.531 2.632 10 30 EFEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001483832470 1112493210 /nfs/dbraw/zinc/49/32/10/1112493210.db2.gz CPNBLSXRQJDFSA-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001483846873 1112507085 /nfs/dbraw/zinc/50/70/85/1112507085.db2.gz CUASOIYTZPYSFC-WIYYLYMNSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001483847110 1112508233 /nfs/dbraw/zinc/50/82/33/1112508233.db2.gz JADQYLIULIIBKL-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001483849110 1112510562 /nfs/dbraw/zinc/51/05/62/1112510562.db2.gz QNQGRRFPGOUEEM-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)N(C)C ZINC001483959297 1112589788 /nfs/dbraw/zinc/58/97/88/1112589788.db2.gz PXZPQXCQHFUOMH-RTBURBONSA-N 2 0 329.488 2.836 10 30 EFEERP C=CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001483953861 1112597129 /nfs/dbraw/zinc/59/71/29/1112597129.db2.gz QVBKAYQUKSUQSC-ICSRJNTNSA-N 2 0 333.520 2.799 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)c1ccc2ccccc2c1 ZINC001483991703 1112625838 /nfs/dbraw/zinc/62/58/38/1112625838.db2.gz DBCPACGQRDODCH-UXHICEINSA-N 2 0 337.467 2.560 10 30 EFEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001483986601 1112631351 /nfs/dbraw/zinc/63/13/51/1112631351.db2.gz LHEUTUFPLZQJTQ-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001484019307 1112670655 /nfs/dbraw/zinc/67/06/55/1112670655.db2.gz ACMQGBBGFQBBHP-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001484021113 1112673453 /nfs/dbraw/zinc/67/34/53/1112673453.db2.gz YCTXROCCQXDNPZ-UYAOXDASSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001484022870 1112675780 /nfs/dbraw/zinc/67/57/80/1112675780.db2.gz QWUYDCAZCFDYSM-FQEVSTJZSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001484022871 1112675827 /nfs/dbraw/zinc/67/58/27/1112675827.db2.gz QWUYDCAZCFDYSM-HXUWFJFHSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001484022938 1112676346 /nfs/dbraw/zinc/67/63/46/1112676346.db2.gz RRRINYZHNXPKKU-CTNGQTDRSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001484127521 1112801284 /nfs/dbraw/zinc/80/12/84/1112801284.db2.gz AGRWEZSFUDHQLR-FQEVSTJZSA-N 2 0 345.487 2.587 10 30 EFEERP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001484127522 1112801363 /nfs/dbraw/zinc/80/13/63/1112801363.db2.gz AGRWEZSFUDHQLR-HXUWFJFHSA-N 2 0 345.487 2.587 10 30 EFEERP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001484195303 1112909586 /nfs/dbraw/zinc/90/95/86/1112909586.db2.gz KFQHOEHQPBLSGR-CVEARBPZSA-N 2 0 343.462 2.510 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001484548689 1113001292 /nfs/dbraw/zinc/00/12/92/1113001292.db2.gz XTXJEPIYLZMLKI-AZUAARDMSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001484558611 1113012470 /nfs/dbraw/zinc/01/24/70/1113012470.db2.gz JPQDIFYRVDUOHS-OXQOHEQNSA-N 2 0 341.499 2.871 10 30 EFEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001484559196 1113012995 /nfs/dbraw/zinc/01/29/95/1113012995.db2.gz OCJPBBFIZXOIER-ZYSHUDEJSA-N 2 0 329.488 2.870 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001484562812 1113024930 /nfs/dbraw/zinc/02/49/30/1113024930.db2.gz GVKOFQNDDYKMEX-YLJYHZDGSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001484582216 1113035263 /nfs/dbraw/zinc/03/52/63/1113035263.db2.gz DZMOAYCCPKPUHW-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+][C@H](C)CCC=C)CC1 ZINC001484619612 1113069436 /nfs/dbraw/zinc/06/94/36/1113069436.db2.gz KOPQELCKZMZCEN-UYAOXDASSA-N 2 0 345.531 2.657 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001484820300 1117755025 /nfs/dbraw/zinc/75/50/25/1117755025.db2.gz NHOQBGFXYDJDBO-UHFFFAOYSA-N 2 0 341.927 2.976 10 30 EFEERP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001484832216 1117766846 /nfs/dbraw/zinc/76/68/46/1117766846.db2.gz VUGOSGRCBZBLPV-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCCCC=C)[C@@H](C)C2)CC1 ZINC001484905456 1117819536 /nfs/dbraw/zinc/81/95/36/1117819536.db2.gz FVTPPKIGFYFQCX-ICSRJNTNSA-N 2 0 345.531 2.515 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001484943297 1117870234 /nfs/dbraw/zinc/87/02/34/1117870234.db2.gz MBQJXRPXJROMPZ-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001485004423 1117933954 /nfs/dbraw/zinc/93/39/54/1117933954.db2.gz NNKZDRQPSDYHGE-IBGZPJMESA-N 2 0 329.488 2.620 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005634 1117936169 /nfs/dbraw/zinc/93/61/69/1117936169.db2.gz DECQVRWBXVTTPD-WOJBJXKFSA-N 2 0 343.515 2.864 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001485005632 1117936468 /nfs/dbraw/zinc/93/64/68/1117936468.db2.gz DECQVRWBXVTTPD-VQTJNVASSA-N 2 0 343.515 2.864 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC001485030804 1117956147 /nfs/dbraw/zinc/95/61/47/1117956147.db2.gz CVINAVLVNAWGSQ-UHFFFAOYSA-N 2 0 344.503 2.508 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485043986 1117962347 /nfs/dbraw/zinc/96/23/47/1117962347.db2.gz JLKYDPVCIHTBDG-HUYLIWGRSA-N 2 0 341.499 2.807 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485036872 1117969636 /nfs/dbraw/zinc/96/96/36/1117969636.db2.gz GTJLGURJSGHOOL-JKSUJKDBSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073504 1118012064 /nfs/dbraw/zinc/01/20/64/1118012064.db2.gz SGJMHERLSBXVSZ-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001485253239 1118168853 /nfs/dbraw/zinc/16/88/53/1118168853.db2.gz DUNGWIMKXCKVDL-CVEARBPZSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001485439680 1118351777 /nfs/dbraw/zinc/35/17/77/1118351777.db2.gz JCIQYSMLAYVODZ-HOTGVXAUSA-N 2 0 329.916 2.543 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC=C)CC1 ZINC001485484547 1118391342 /nfs/dbraw/zinc/39/13/42/1118391342.db2.gz HYBQNIPHCGZKTL-FQEVSTJZSA-N 2 0 345.531 2.659 10 30 EFEERP CCCCCCC[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001485666345 1118515093 /nfs/dbraw/zinc/51/50/93/1118515093.db2.gz KNSKAPVMCMCYLN-UHFFFAOYSA-N 2 0 347.547 2.977 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001485786934 1118593128 /nfs/dbraw/zinc/59/31/28/1118593128.db2.gz WFPWBXTYAFJDBD-GOSISDBHSA-N 2 0 335.536 2.783 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485816435 1119313381 /nfs/dbraw/zinc/31/33/81/1119313381.db2.gz QFINVSNHQSUJBT-GOSISDBHSA-N 2 0 326.444 2.659 10 30 EFEERP N#C[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414296945 283065292 /nfs/dbraw/zinc/06/52/92/283065292.db2.gz FWGNIVJADATDJB-OALUTQOASA-N 2 0 327.472 2.685 10 30 EFEERP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000262432047 240351155 /nfs/dbraw/zinc/35/11/55/240351155.db2.gz SPHPGFPUTSEVIN-RTBURBONSA-N 2 0 332.536 2.995 10 30 EFEERP C[C@@H]1CCCN(C(=[NH2+])NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000262430895 240351983 /nfs/dbraw/zinc/35/19/83/240351983.db2.gz DWRDTYOFRDNQAI-LRVUVFPRSA-N 2 0 346.441 2.838 10 30 EFEERP COC1CC[NH+](C2(CNC(=[NH2+])NC3CCCCC3)CCCC2)CC1 ZINC000262503229 240356713 /nfs/dbraw/zinc/35/67/13/240356713.db2.gz AQCVLBMEKFHWRL-UHFFFAOYSA-N 2 0 336.524 2.647 10 30 EFEERP C[NH+]1CCN(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000022814791 212327222 /nfs/dbraw/zinc/32/72/22/212327222.db2.gz DLWGZACZMLSFGA-UHFFFAOYSA-N 2 0 340.515 2.618 10 30 EFEERP C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262009061 240338027 /nfs/dbraw/zinc/33/80/27/240338027.db2.gz WDWPJKJCWXPHON-SWLSCSKDSA-N 2 0 349.548 2.723 10 30 EFEERP C[NH+]=C(NCc1cccc(-c2ccccn2)c1)N[C@@H]1CCN(C2CC2)C1 ZINC000262030192 240342725 /nfs/dbraw/zinc/34/27/25/240342725.db2.gz SGZDXXSRVKEPPR-GOSISDBHSA-N 2 0 349.482 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ZINC000076734305 472393477 /nfs/dbraw/zinc/39/34/77/472393477.db2.gz HURMPCRNFPZQQM-UHFFFAOYSA-N 2 0 343.515 2.974 10 30 EFEERP C=CCCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000076735137 472394016 /nfs/dbraw/zinc/39/40/16/472394016.db2.gz IUXHFTPMYVJOGZ-UHFFFAOYSA-N 2 0 343.515 2.927 10 30 EFEERP CCN1CC[NH+](C[C@H](C)CNC(=[NH+]C(C)C)c2cccs2)CC1 ZINC000071843657 472582137 /nfs/dbraw/zinc/58/21/37/472582137.db2.gz BLNNHWFEPWLRFH-MRXNPFEDSA-N 2 0 336.549 2.766 10 30 EFEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000130834753 472631980 /nfs/dbraw/zinc/63/19/80/472631980.db2.gz OIVHWBVYMUTSEE-WBVHZDCISA-N 2 0 330.476 2.535 10 30 EFEERP C#CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121127440 472803755 /nfs/dbraw/zinc/80/37/55/472803755.db2.gz APOBUJQWDFEEDN-SFHVURJKSA-N 2 0 344.499 2.613 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000106341041 472842284 /nfs/dbraw/zinc/84/22/84/472842284.db2.gz CALXYLOZZAGZQS-UHFFFAOYSA-N 2 0 348.535 2.544 10 30 EFEERP C=CCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000134061243 472870507 /nfs/dbraw/zinc/87/05/07/472870507.db2.gz HGCOSSNQMUNMKV-UHFFFAOYSA-N 2 0 330.472 2.796 10 30 EFEERP C[NH+]=C(NCc1cc(C(C)C)no1)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000080893740 473097078 /nfs/dbraw/zinc/09/70/78/473097078.db2.gz OACFMQYHSHIORP-HNNXBMFYSA-N 2 0 335.496 2.583 10 30 EFEERP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123313790 473126437 /nfs/dbraw/zinc/12/64/37/473126437.db2.gz UBXYLLYROVYFKU-INIZCTEOSA-N 2 0 325.460 2.808 10 30 EFEERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000127364844 473603580 /nfs/dbraw/zinc/60/35/80/473603580.db2.gz RDTNLCBNLCYPJB-HKUYNNGSSA-N 2 0 336.439 2.729 10 30 EFEERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1 ZINC000127365072 473604228 /nfs/dbraw/zinc/60/42/28/473604228.db2.gz RDTNLCBNLCYPJB-MJGOQNOKSA-N 2 0 336.439 2.729 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000246428257 473860335 /nfs/dbraw/zinc/86/03/35/473860335.db2.gz CLLXXJAYKHUBLN-ZFWWWQNUSA-N 2 0 334.489 2.610 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)(N2CCCCC2)CC1 ZINC000174581906 474066798 /nfs/dbraw/zinc/06/67/98/474066798.db2.gz DTUJHMZMZVYETB-UHFFFAOYSA-N 2 0 326.488 2.598 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000265683043 474294208 /nfs/dbraw/zinc/29/42/08/474294208.db2.gz CEWZPADGCKKJIS-UHFFFAOYSA-N 2 0 327.432 2.805 10 30 EFEERP N#CCCOCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000292858094 474678179 /nfs/dbraw/zinc/67/81/79/474678179.db2.gz RFWQCSZUCANOJY-UXHICEINSA-N 2 0 327.472 2.903 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000341096419 474969858 /nfs/dbraw/zinc/96/98/58/474969858.db2.gz JOWRCZDFYBACIU-IRXDYDNUSA-N 2 0 336.524 2.589 10 30 EFEERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(C#N)cc1F ZINC000358556361 475768544 /nfs/dbraw/zinc/76/85/44/475768544.db2.gz ARGCBKAWWMNGQA-OAHLLOKOSA-N 2 0 332.467 2.622 10 30 EFEERP 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/nfs/dbraw/zinc/28/50/95/478285095.db2.gz QJOQPRBZMWYXLZ-UHFFFAOYSA-N 2 0 343.471 2.644 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000594426033 478379069 /nfs/dbraw/zinc/37/90/69/478379069.db2.gz ONZFLMVPRXDEAP-KRWDZBQOSA-N 2 0 334.508 2.703 10 30 EFEERP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594436825 478387479 /nfs/dbraw/zinc/38/74/79/478387479.db2.gz GGTKMVWQEDZFNT-NZSAHSFTSA-N 2 0 342.487 2.567 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000594439563 478389741 /nfs/dbraw/zinc/38/97/41/478389741.db2.gz XIPSGYQCZZQEOR-MSOLQXFVSA-N 2 0 334.508 2.512 10 30 EFEERP CC(C)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CC[NH+](C)CC1 ZINC000594495793 478411617 /nfs/dbraw/zinc/41/16/17/478411617.db2.gz WMCZMZZNKXOGEP-HXUWFJFHSA-N 2 0 342.531 2.849 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000600714327 478481017 /nfs/dbraw/zinc/48/10/17/478481017.db2.gz LDAMGLOSPMHPRR-LJQANCHMSA-N 2 0 327.472 2.817 10 30 EFEERP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000600729695 478492570 /nfs/dbraw/zinc/49/25/70/478492570.db2.gz WWHQYKNMBROESA-MISYRCLQSA-N 2 0 341.499 2.931 10 30 EFEERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599364690 479270901 /nfs/dbraw/zinc/27/09/01/479270901.db2.gz ZSJHTCSEOFVCPN-LMMKCTJWSA-N 2 0 341.499 2.787 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599372386 479274502 /nfs/dbraw/zinc/27/45/02/479274502.db2.gz IZTCOSBIWMFIES-BHIYHBOVSA-N 2 0 327.472 2.541 10 30 EFEERP Cc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000599379781 479276719 /nfs/dbraw/zinc/27/67/19/479276719.db2.gz SZTXIGPXBYHPJZ-QFIPXVFZSA-N 2 0 349.478 2.936 10 30 EFEERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599679354 479386538 /nfs/dbraw/zinc/38/65/38/479386538.db2.gz YZCJYQXQDUZABH-UHFFFAOYSA-N 2 0 340.515 2.527 10 30 EFEERP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC000597158782 479598598 /nfs/dbraw/zinc/59/85/98/479598598.db2.gz YNKWUYUZIYMXKV-UHFFFAOYSA-N 2 0 325.456 2.538 10 30 EFEERP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705877 481272424 /nfs/dbraw/zinc/27/24/24/481272424.db2.gz ZKBIHOIEBXCGAF-NSHGMRRFSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccco1 ZINC000665288915 481772517 /nfs/dbraw/zinc/77/25/17/481772517.db2.gz AQLQYVKEPWSOLB-QGZVFWFLSA-N 2 0 333.476 2.867 10 30 EFEERP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000651699130 481909970 /nfs/dbraw/zinc/90/99/70/481909970.db2.gz HYHWJEFHWZYVLS-APWZRJJASA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662666875 481923372 /nfs/dbraw/zinc/92/33/72/481923372.db2.gz WXKXTMFYXFVRPD-ICSRJNTNSA-N 2 0 327.472 2.638 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC000662668441 481924736 /nfs/dbraw/zinc/92/47/36/481924736.db2.gz FPGQPBJCXIZDGN-FQEVSTJZSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCC[NH2+]1 ZINC000662670640 481926559 /nfs/dbraw/zinc/92/65/59/481926559.db2.gz YDRMTFPIORHPHZ-FQEVSTJZSA-N 2 0 327.472 2.597 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662673609 481927719 /nfs/dbraw/zinc/92/77/19/481927719.db2.gz NCWJKBQJVAFDEB-OAQYLSRUSA-N 2 0 341.499 2.728 10 30 EFEERP C=CC[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000651743569 481929241 /nfs/dbraw/zinc/92/92/41/481929241.db2.gz ZUGMGBPKQNRTIC-SXLOBPIMSA-N 2 0 343.515 2.610 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678941 481930500 /nfs/dbraw/zinc/93/05/00/481930500.db2.gz KRPSZUPQCAPMTM-CTNGQTDRSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000651752488 481933340 /nfs/dbraw/zinc/93/33/40/481933340.db2.gz IHQLQNZWTQYJKS-QFBILLFUSA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662693792 481936989 /nfs/dbraw/zinc/93/69/89/481936989.db2.gz RAXJZNGGVDLBJY-PZJWPPBQSA-N 2 0 341.499 2.713 10 30 EFEERP C=CC[C@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662696705 481937984 /nfs/dbraw/zinc/93/79/84/481937984.db2.gz RROLJFNNBBQHMP-OAQYLSRUSA-N 2 0 341.499 2.713 10 30 EFEERP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000662696859 481938281 /nfs/dbraw/zinc/93/82/81/481938281.db2.gz XKSMCAYUNQENLB-IMFGXOCKSA-N 2 0 327.472 2.636 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000662697949 481939589 /nfs/dbraw/zinc/93/95/89/481939589.db2.gz FOFJVNGADOVEKI-NLWGTHIKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750707 481957846 /nfs/dbraw/zinc/95/78/46/481957846.db2.gz DPRQCCACSZOUQX-XLIONFOSSA-N 2 0 329.488 2.712 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662753836 481959887 /nfs/dbraw/zinc/95/98/87/481959887.db2.gz YDLIMXRBZOEUOA-AEFFLSMTSA-N 2 0 335.879 2.757 10 30 EFEERP CC[NH+](CC)[C@H](C)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181448964 528266468 /nfs/dbraw/zinc/26/64/68/528266468.db2.gz AGJZJDCAVKMTKT-QGZVFWFLSA-N 2 0 328.504 2.843 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001691772982 1248647006 /nfs/dbraw/zinc/64/70/06/1248647006.db2.gz UFPYEWKRQMEVGR-OALUTQOASA-N 2 0 329.488 2.530 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001691772986 1248648012 /nfs/dbraw/zinc/64/80/12/1248648012.db2.gz UFPYEWKRQMEVGR-RTBURBONSA-N 2 0 329.488 2.530 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001691428994 1248883441 /nfs/dbraw/zinc/88/34/41/1248883441.db2.gz SXYGYMOSKSSQPH-NEWSRXKRSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001691445917 1249136385 /nfs/dbraw/zinc/13/63/85/1249136385.db2.gz NDTQFAHANTZPEZ-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001691445915 1249137080 /nfs/dbraw/zinc/13/70/80/1249137080.db2.gz NDTQFAHANTZPEZ-CABCVRRESA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001268121788 1249697417 /nfs/dbraw/zinc/69/74/17/1249697417.db2.gz XIHILANXGNKSIB-IEBWSBKVSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CCCCCC2)CC1 ZINC001772517030 1247933742 /nfs/dbraw/zinc/93/37/42/1247933742.db2.gz DBNLWWPPQAJDJL-SFHVURJKSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001691057960 1248319035 /nfs/dbraw/zinc/31/90/35/1248319035.db2.gz FPPHMUZYIFGIMH-LPHOPBHVSA-N 2 0 339.499 2.698 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C\CCC)CC1 ZINC001691075528 1248364144 /nfs/dbraw/zinc/36/41/44/1248364144.db2.gz TYXPUYZHUDDRSO-AQWUKCDYSA-N 2 0 345.531 2.611 10 30 EFEERP C=C(C)CC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001691225739 1248551873 /nfs/dbraw/zinc/55/18/73/1248551873.db2.gz NEHSMPSFURXXGV-LJQANCHMSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001691276746 1248588374 /nfs/dbraw/zinc/58/83/74/1248588374.db2.gz CBVBYRVPCRAKNE-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1ccnc1C ZINC001691305131 1248636650 /nfs/dbraw/zinc/63/66/50/1248636650.db2.gz JGOYGQFCACCKHD-SJLPKXTDSA-N 2 0 332.492 2.765 10 30 EFEERP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691594842 1251805905 /nfs/dbraw/zinc/80/59/05/1251805905.db2.gz DFWNWOUMXIYFSJ-YQVWRLOYSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484115846 1252280844 /nfs/dbraw/zinc/28/08/44/1252280844.db2.gz XLXGMKRXFKQTOC-AEFFLSMTSA-N 2 0 341.927 2.832 10 30 EFEERP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484120582 1252294952 /nfs/dbraw/zinc/29/49/52/1252294952.db2.gz PWEOKESAVNLKLR-NRFANRHFSA-N 2 0 347.547 2.903 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001484352751 1252442542 /nfs/dbraw/zinc/44/25/42/1252442542.db2.gz AJTHDKKEIFIDLK-QFBILLFUSA-N 2 0 333.520 2.511 10 30 EFEERP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001484359013 1252444317 /nfs/dbraw/zinc/44/43/17/1252444317.db2.gz QUEWKXOSDCKALY-SJORKVTESA-N 2 0 345.487 2.585 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCCCCC)C2)CC1 ZINC001484384122 1252488068 /nfs/dbraw/zinc/48/80/68/1252488068.db2.gz IPCWFGGDZKMNGH-QUCCMNQESA-N 2 0 347.547 2.596 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001484380232 1252492739 /nfs/dbraw/zinc/49/27/39/1252492739.db2.gz LCAFXCZHSPSKED-HKUYNNGSSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001484415039 1252571236 /nfs/dbraw/zinc/57/12/36/1252571236.db2.gz LXPJZESAUWWTLS-KDURUIRLSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001484455026 1252627284 /nfs/dbraw/zinc/62/72/84/1252627284.db2.gz HVRZZXXESOHGHT-OTWHNJEPSA-N 2 0 333.520 2.891 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC/C=C/CC)CC2)CC1 ZINC001484727855 1252818067 /nfs/dbraw/zinc/81/80/67/1252818067.db2.gz HDFJXSGNGDZRBV-RRFGBZISSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001484772333 1252946866 /nfs/dbraw/zinc/94/68/66/1252946866.db2.gz QWPHNWMKRUBCMN-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001691649001 1256165340 /nfs/dbraw/zinc/16/53/40/1256165340.db2.gz FWRABTADPJWSKI-LJQANCHMSA-N 2 0 338.455 2.985 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC/C=C/CC)CC1 ZINC001273025221 1266117717 /nfs/dbraw/zinc/11/77/17/1266117717.db2.gz LDSAQGLAILFALE-RRFGBZISSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001272763335 1257642824 /nfs/dbraw/zinc/64/28/24/1257642824.db2.gz QHVXSWKIHSDBTH-WGSAOQKQSA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001670919575 1258634309 /nfs/dbraw/zinc/63/43/09/1258634309.db2.gz WTSNWKMRWXHLQW-IBGZPJMESA-N 2 0 347.547 2.548 10 30 EFEERP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001670923567 1258702022 /nfs/dbraw/zinc/70/20/22/1258702022.db2.gz NTOTYCOGHBFJHE-ROUUACIJSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001671044087 1259930151 /nfs/dbraw/zinc/93/01/51/1259930151.db2.gz BATAKSJXPVNYNR-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000921685961 1260798229 /nfs/dbraw/zinc/79/82/29/1260798229.db2.gz CNNSVYLHENMLEZ-UHFFFAOYSA-N 2 0 328.504 2.538 10 30 EFEERP C=CC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)CC)C2)CC1 ZINC001272826942 1261078787 /nfs/dbraw/zinc/07/87/87/1261078787.db2.gz YKYPRWURDTUSNE-IBGZPJMESA-N 2 0 341.499 2.790 10 30 EFEERP C=CCCC[N@@H+]1CCc2c(CNC(=O)C[NH+]3CCCC3)cccc2C1 ZINC001272916801 1261327790 /nfs/dbraw/zinc/32/77/90/1261327790.db2.gz HNEJASMCOMFZJH-UHFFFAOYSA-N 2 0 341.499 2.723 10 30 EFEERP C=C(C)C[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001272916843 1261327831 /nfs/dbraw/zinc/32/78/31/1261327831.db2.gz IUHFWJMIZQUKLI-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C=CC[N@H+]1CCc2c(CNC(=O)CC3CC[NH+](C)CC3)cccc2C1 ZINC001272916730 1261327875 /nfs/dbraw/zinc/32/78/75/1261327875.db2.gz HJKDTDUJFCZEAF-UHFFFAOYSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001671054915 1261402469 /nfs/dbraw/zinc/40/24/69/1261402469.db2.gz HBTMMYLHSCZJMZ-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001273179608 1261684687 /nfs/dbraw/zinc/68/46/87/1261684687.db2.gz JMWQJUJRWIOGAT-UHFFFAOYSA-N 2 0 333.520 2.703 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]21 ZINC001486162363 1262723086 /nfs/dbraw/zinc/72/30/86/1262723086.db2.gz UMPTUSBBSXZTEM-GBESFXJTSA-N 2 0 347.547 2.901 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]21 ZINC001486162362 1262723136 /nfs/dbraw/zinc/72/31/36/1262723136.db2.gz UMPTUSBBSXZTEM-CEXWTWQISA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001486162500 1262723437 /nfs/dbraw/zinc/72/34/37/1262723437.db2.gz VXJZBLRGARYXQC-OKZBNKHCSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486222629 1262827850 /nfs/dbraw/zinc/82/78/50/1262827850.db2.gz YUKGTPJIPCBJKA-LPHOPBHVSA-N 2 0 329.488 2.812 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC/C=C/CC)C2)CC1 ZINC001486222669 1262828035 /nfs/dbraw/zinc/82/80/35/1262828035.db2.gz ZETJZGDYPAMQRI-RJOJHWARSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001486247649 1262851764 /nfs/dbraw/zinc/85/17/64/1262851764.db2.gz JGLNCEWNKCAKIV-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001486418124 1263099811 /nfs/dbraw/zinc/09/98/11/1263099811.db2.gz QIOHSGLIGXKXRN-GOSISDBHSA-N 2 0 335.536 2.805 10 30 EFEERP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001486438607 1263124346 /nfs/dbraw/zinc/12/43/46/1263124346.db2.gz RBKHZBIPMKGNTO-QGZVFWFLSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001486451017 1263143966 /nfs/dbraw/zinc/14/39/66/1263143966.db2.gz SLLGLIAXIHDYOF-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001486525143 1263329519 /nfs/dbraw/zinc/32/95/19/1263329519.db2.gz CSPIWYWLWHVELG-UHFFFAOYSA-N 2 0 347.478 2.838 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691670363 1266678045 /nfs/dbraw/zinc/67/80/45/1266678045.db2.gz MHAFVRASQRQDEF-HKUYNNGSSA-N 2 0 335.536 2.994 10 30 EFEERP C=C(Cl)CN1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001410015576 1277215096 /nfs/dbraw/zinc/21/50/96/1277215096.db2.gz DZDNANCNPYXYIS-CABCVRRESA-N 2 0 329.916 2.686 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001136362178 1277269010 /nfs/dbraw/zinc/26/90/10/1277269010.db2.gz SBJXOHIQZYQMJW-PKOBYXMFSA-N 2 0 329.488 2.788 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001671075640 1279087134 /nfs/dbraw/zinc/08/71/34/1279087134.db2.gz VZKPOHKCYMGBGZ-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001671075639 1279087682 /nfs/dbraw/zinc/08/76/82/1279087682.db2.gz VZKPOHKCYMGBGZ-AZUAARDMSA-N 2 0 333.520 2.751 10 30 EFEERP CCC[NH+]1CCN(c2ccccc2C=[NH+]OCCOC(C)C)CC1 ZINC000812237732 1284992821 /nfs/dbraw/zinc/99/28/21/1284992821.db2.gz LDCRGILXIQAWCL-UHFFFAOYSA-N 2 0 333.476 2.994 10 30 EFEERP N#Cc1cc(Cl)cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000903459486 1312713611 /nfs/dbraw/zinc/71/36/11/1312713611.db2.gz UHNFPCGTCPTCFG-ZWKOTPCHSA-N 2 0 333.863 2.930 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903460404 1312715160 /nfs/dbraw/zinc/71/51/60/1312715160.db2.gz ATEIIECNBZVQJF-CMKODMSKSA-N 2 0 327.472 2.893 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000876739840 1290999284 /nfs/dbraw/zinc/99/92/84/1290999284.db2.gz JIGAJIDNENJODE-OAGGEKHMSA-N 2 0 327.900 2.569 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000876754232 1291006900 /nfs/dbraw/zinc/00/69/00/1291006900.db2.gz DAHCHPABWYRIQI-WMLDXEAASA-N 2 0 335.879 2.798 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000876764055 1291010733 /nfs/dbraw/zinc/01/07/33/1291010733.db2.gz NFWYPQQVHFUJGU-HQSKLWIPSA-N 2 0 347.890 2.768 10 30 EFEERP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273610038 1292357268 /nfs/dbraw/zinc/35/72/68/1292357268.db2.gz HZDGWBOREKQTMU-SFHVURJKSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883167017 1293488307 /nfs/dbraw/zinc/48/83/07/1293488307.db2.gz NOMLCXMWKFKQFX-CTNGQTDRSA-N 2 0 343.515 2.552 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883186205 1293498563 /nfs/dbraw/zinc/49/85/63/1293498563.db2.gz NOYAUIOJZHOMGW-CUWPLCDZSA-N 2 0 343.515 2.550 10 30 EFEERP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001276448065 1313101025 /nfs/dbraw/zinc/10/10/25/1313101025.db2.gz UTBUVZYIEVBLJL-QFBILLFUSA-N 2 0 329.488 2.692 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001273757213 1294832214 /nfs/dbraw/zinc/83/22/14/1294832214.db2.gz VKECYBLIZKJJJB-SFHVURJKSA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000886381497 1294910800 /nfs/dbraw/zinc/91/08/00/1294910800.db2.gz FSVQYSBWDGSFEX-UHFFFAOYSA-N 2 0 342.483 2.823 10 30 EFEERP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(C#N)c1[O-] ZINC000925555188 1296852415 /nfs/dbraw/zinc/85/24/15/1296852415.db2.gz FODCXIASLYQEMH-GBESFXJTSA-N 2 0 343.471 2.682 10 30 EFEERP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000929720525 1297201405 /nfs/dbraw/zinc/20/14/05/1297201405.db2.gz YGWKIDYNBZVGOF-LJQANCHMSA-N 2 0 339.483 2.804 10 30 EFEERP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001488975607 1297917196 /nfs/dbraw/zinc/91/71/96/1297917196.db2.gz PEBNHWPEKLDXFZ-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001489062667 1297995244 /nfs/dbraw/zinc/99/52/44/1297995244.db2.gz CBQIAFHYMRIXJH-YZGWKJHDSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001489087373 1298009498 /nfs/dbraw/zinc/00/94/98/1298009498.db2.gz QNKJVHVEYLSCGZ-SQNIBIBYSA-N 2 0 347.547 2.900 10 30 EFEERP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489349295 1298206047 /nfs/dbraw/zinc/20/60/47/1298206047.db2.gz FKXXICQHRQFNPT-MOPGFXCFSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765080 1299211962 /nfs/dbraw/zinc/21/19/62/1299211962.db2.gz BYNGJJIAJDWBOT-MSOLQXFVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490776282 1299239709 /nfs/dbraw/zinc/23/97/09/1299239709.db2.gz HJDVASOCXWYHOF-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001490793696 1299262642 /nfs/dbraw/zinc/26/26/42/1299262642.db2.gz JVLNQQAFGYTHIC-ZSYWTGECSA-N 2 0 333.520 2.891 10 30 EFEERP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001278157877 1313725087 /nfs/dbraw/zinc/72/50/87/1313725087.db2.gz XAWDWBXULPNUNS-IBGZPJMESA-N 2 0 347.547 2.977 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCCC(C)C)CC1 ZINC001278163296 1313730429 /nfs/dbraw/zinc/73/04/29/1313730429.db2.gz GILXJDZHGMDUMQ-LJQANCHMSA-N 2 0 335.536 2.689 10 30 EFEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CC(C)C)CC1 ZINC001278188128 1313760157 /nfs/dbraw/zinc/76/01/57/1313760157.db2.gz GMBZVHWYGVTBMR-LJQANCHMSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278200239 1313780823 /nfs/dbraw/zinc/78/08/23/1313780823.db2.gz APBOGWZMYWSQLK-SFHVURJKSA-N 2 0 333.520 2.608 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001278206980 1313789329 /nfs/dbraw/zinc/78/93/29/1313789329.db2.gz NDZHAWIHIAPNGD-LJQANCHMSA-N 2 0 325.456 2.724 10 30 EFEERP C#CCN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](C(C)C)CC1 ZINC001278208620 1313791475 /nfs/dbraw/zinc/79/14/75/1313791475.db2.gz YQVWNFQKWVXYSS-UHFFFAOYSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001490805075 1303956749 /nfs/dbraw/zinc/95/67/49/1303956749.db2.gz CREXLKRHIXQRSQ-BGYRXZFFSA-N 2 0 345.531 2.750 10 30 EFEERP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001276624616 1314117267 /nfs/dbraw/zinc/11/72/67/1314117267.db2.gz KYOKDQJONVPHEY-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000900734506 1308602619 /nfs/dbraw/zinc/60/26/19/1308602619.db2.gz VQPVAPYBJGBKBU-QGZVFWFLSA-N 2 0 329.488 2.836 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000900827517 1308734142 /nfs/dbraw/zinc/73/41/42/1308734142.db2.gz QQLWOBZKBFTERH-WBVHZDCISA-N 2 0 335.517 2.755 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000901326641 1310148973 /nfs/dbraw/zinc/14/89/73/1310148973.db2.gz SLVDQVBOXMPZIG-UHFFFAOYSA-N 2 0 344.503 2.663 10 30 EFEERP CC#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C[C@H]2C1 ZINC001276838998 1311185332 /nfs/dbraw/zinc/18/53/32/1311185332.db2.gz FHQROGDVKCBMPI-SLFFLAALSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[NH2+][C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001284149787 1320237523 /nfs/dbraw/zinc/23/75/23/1320237523.db2.gz YLBJEKDWELWMAB-PMACEKPBSA-N 2 0 343.515 2.754 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001277274503 1311905212 /nfs/dbraw/zinc/90/52/12/1311905212.db2.gz MHYUIIWEAZLJGV-HXUWFJFHSA-N 2 0 347.547 2.855 10 30 EFEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001277279886 1311915152 /nfs/dbraw/zinc/91/51/52/1311915152.db2.gz KEPNOLCKTCAULR-PKOBYXMFSA-N 2 0 333.520 2.681 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285835 1311919915 /nfs/dbraw/zinc/91/99/15/1311919915.db2.gz QYIXRDOFGYDOPM-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001277286029 1311931344 /nfs/dbraw/zinc/93/13/44/1311931344.db2.gz UBKJNTQWPLCYLK-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806033 1312122357 /nfs/dbraw/zinc/12/23/57/1312122357.db2.gz HZXOSTKFGZTQAL-JZXOWHBKSA-N 2 0 330.476 2.741 10 30 EFEERP C=CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@]1(C)CCCCO1 ZINC000902981609 1312259162 /nfs/dbraw/zinc/25/91/62/1312259162.db2.gz PSVOXDNPAQHPHO-UYAOXDASSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001277473206 1312398945 /nfs/dbraw/zinc/39/89/45/1312398945.db2.gz BDUZLTOIWWAGJM-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001277515994 1312505589 /nfs/dbraw/zinc/50/55/89/1312505589.db2.gz DWLMGWCKGJTFST-PXNSSMCTSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001276707171 1314632756 /nfs/dbraw/zinc/63/27/56/1314632756.db2.gz BVFZYBLYSLJEBD-VYJAJWGXSA-N 2 0 347.547 2.757 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449766 1314633263 /nfs/dbraw/zinc/63/32/63/1314633263.db2.gz ILOMXLQGNXQSPL-GHTZIAJQSA-N 2 0 347.547 2.594 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001278449768 1314633178 /nfs/dbraw/zinc/63/31/78/1314633178.db2.gz ILOMXLQGNXQSPL-RXVVDRJESA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001278453111 1314648291 /nfs/dbraw/zinc/64/82/91/1314648291.db2.gz RFWBGQYQCDMKFP-QWFCFKBJSA-N 2 0 333.520 2.939 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001276761497 1315116384 /nfs/dbraw/zinc/11/63/84/1315116384.db2.gz MDRUYQLELFAKMJ-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCC)[C@@H](CC)C2)CC1 ZINC001276773160 1315155135 /nfs/dbraw/zinc/15/51/35/1315155135.db2.gz RRQIKXDVFIPKJQ-AZUAARDMSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001278566262 1315206750 /nfs/dbraw/zinc/20/67/50/1315206750.db2.gz VVYZPHMPVOJNJD-HOCLYGCPSA-N 2 0 335.517 2.874 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001278656991 1315425350 /nfs/dbraw/zinc/42/53/50/1315425350.db2.gz URLIYKNEXWBQTP-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC001263709431 1316557497 /nfs/dbraw/zinc/55/74/97/1316557497.db2.gz QNIZTWRBAFUKJT-UHFFFAOYSA-N 2 0 336.524 2.589 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001263760305 1316559961 /nfs/dbraw/zinc/55/99/61/1316559961.db2.gz NTVHQDDMIOISOH-GUDVDZBRSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001263863745 1316570298 /nfs/dbraw/zinc/57/02/98/1316570298.db2.gz CISQIVFTTOQFMM-LNLFQRSKSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263958373 1316575935 /nfs/dbraw/zinc/57/59/35/1316575935.db2.gz MVHLZGJPJQOFPO-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001263958374 1316576054 /nfs/dbraw/zinc/57/60/54/1316576054.db2.gz MVHLZGJPJQOFPO-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264185425 1316597317 /nfs/dbraw/zinc/59/73/17/1316597317.db2.gz AFBOMYNSGNEXRK-OALUTQOASA-N 2 0 333.520 2.587 10 30 EFEERP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001264467742 1316618502 /nfs/dbraw/zinc/61/85/02/1316618502.db2.gz SLAGSPMDOCWSIL-ZWKOTPCHSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001264574088 1316633489 /nfs/dbraw/zinc/63/34/89/1316633489.db2.gz GQDDSAXZVDPHTF-MISYRCLQSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001264586493 1316636049 /nfs/dbraw/zinc/63/60/49/1316636049.db2.gz QHSRPEVKMJXHOB-BHIYHBOVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001265199203 1316750491 /nfs/dbraw/zinc/75/04/91/1316750491.db2.gz QVTXCJPTGGCITH-MOPGFXCFSA-N 2 0 333.520 2.892 10 30 EFEERP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001265329380 1316783505 /nfs/dbraw/zinc/78/35/05/1316783505.db2.gz FEZBXZGYODKBSP-QGZVFWFLSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001265498853 1316813911 /nfs/dbraw/zinc/81/39/11/1316813911.db2.gz KEINFUZPQCTSCC-ATZDWAIDSA-N 2 0 329.488 2.953 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001265502934 1316814159 /nfs/dbraw/zinc/81/41/59/1316814159.db2.gz CVTAKLYJNTWFIB-GUDVDZBRSA-N 2 0 329.488 2.882 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001265685785 1316853875 /nfs/dbraw/zinc/85/38/75/1316853875.db2.gz CYCOVBIRXJQVCU-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265697096 1316857608 /nfs/dbraw/zinc/85/76/08/1316857608.db2.gz OCOSTDIRPJXXKC-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265727164 1316867408 /nfs/dbraw/zinc/86/74/08/1316867408.db2.gz RMZMMDAUSBBXQH-QTMHVTGLSA-N 2 0 333.520 2.508 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265905136 1316908701 /nfs/dbraw/zinc/90/87/01/1316908701.db2.gz ABRDAIOQQINYRT-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266063289 1316990725 /nfs/dbraw/zinc/99/07/25/1316990725.db2.gz HMFRJKFJEBVLSM-ROUUACIJSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)CCC=C)C2)CC1 ZINC001266119271 1317066966 /nfs/dbraw/zinc/06/69/66/1317066966.db2.gz AYFVVCZVODWQMD-UYAOXDASSA-N 2 0 345.531 2.609 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266219942 1317159597 /nfs/dbraw/zinc/15/95/97/1317159597.db2.gz LHMNUNCUMYPDHZ-AZUAARDMSA-N 2 0 345.531 2.778 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266219945 1317160565 /nfs/dbraw/zinc/16/05/65/1317160565.db2.gz LHMNUNCUMYPDHZ-UYAOXDASSA-N 2 0 345.531 2.778 10 30 EFEERP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266223521 1317166343 /nfs/dbraw/zinc/16/63/43/1317166343.db2.gz RUDPXNPEJBQIDE-GOSISDBHSA-N 2 0 333.520 2.942 10 30 EFEERP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001279236040 1317215457 /nfs/dbraw/zinc/21/54/57/1317215457.db2.gz CNBAACHZLUNHKN-REPLKXPHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001279288500 1317226401 /nfs/dbraw/zinc/22/64/01/1317226401.db2.gz HIKDMRHPYGXYJM-VJANTYMQSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001279360458 1317244977 /nfs/dbraw/zinc/24/49/77/1317244977.db2.gz OKTIXPSDSBIWCB-UHFFFAOYSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001279367825 1317247593 /nfs/dbraw/zinc/24/75/93/1317247593.db2.gz ASPXIYFGPOQEDX-UHFFFAOYSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279395557 1317255815 /nfs/dbraw/zinc/25/58/15/1317255815.db2.gz LHVOVVFKLCSEEA-CEXWTWQISA-N 2 0 335.536 2.709 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001280230348 1317483002 /nfs/dbraw/zinc/48/30/02/1317483002.db2.gz HTOVBYNGFQFJQN-SFHVURJKSA-N 2 0 329.488 2.766 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001280325691 1317508179 /nfs/dbraw/zinc/50/81/79/1317508179.db2.gz YYZUUKYWVMANBI-UHFFFAOYSA-N 2 0 341.499 2.797 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001280388102 1317537637 /nfs/dbraw/zinc/53/76/37/1317537637.db2.gz NAAYVMUHAPCCFX-KRWDZBQOSA-N 2 0 333.520 2.750 10 30 EFEERP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001280394797 1317541191 /nfs/dbraw/zinc/54/11/91/1317541191.db2.gz ZDADIBSQDHCXSZ-GOSISDBHSA-N 2 0 335.536 2.833 10 30 EFEERP C=CCC[NH+]1CCc2c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001280427075 1317555681 /nfs/dbraw/zinc/55/56/81/1317555681.db2.gz QREHRYUMPXTYGN-KRWDZBQOSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318822837 1328711466 /nfs/dbraw/zinc/71/14/66/1328711466.db2.gz UPDMJTXHFWXMOR-MRXNPFEDSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001318845262 1328720258 /nfs/dbraw/zinc/72/02/58/1328720258.db2.gz KFEMFQOGXDXICV-GOSISDBHSA-N 2 0 347.547 2.903 10 30 EFEERP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001280889105 1317880145 /nfs/dbraw/zinc/88/01/45/1317880145.db2.gz JVWJASNBTZRLBS-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001281004693 1317961457 /nfs/dbraw/zinc/96/14/57/1317961457.db2.gz USAFHSZZHOIEAM-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001318897107 1328735714 /nfs/dbraw/zinc/73/57/14/1328735714.db2.gz RDNMJUSKHCPVKQ-INIZCTEOSA-N 2 0 329.916 2.543 10 30 EFEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001281030813 1317981660 /nfs/dbraw/zinc/98/16/60/1317981660.db2.gz AUQARZOMJIJMTN-ROUUACIJSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001281030812 1317981740 /nfs/dbraw/zinc/98/17/40/1317981740.db2.gz AUQARZOMJIJMTN-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001318908874 1328738902 /nfs/dbraw/zinc/73/89/02/1328738902.db2.gz WLCAJPTXEHVAOP-IBGZPJMESA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001318976335 1328754914 /nfs/dbraw/zinc/75/49/14/1328754914.db2.gz MBEIYNLIEFWBBV-CADBVGFASA-N 2 0 333.520 2.987 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001319000264 1328760858 /nfs/dbraw/zinc/76/08/58/1328760858.db2.gz LNVDMLAXTHNNHD-SFHVURJKSA-N 2 0 341.499 2.680 10 30 EFEERP C#CCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001281536267 1318421732 /nfs/dbraw/zinc/42/17/32/1318421732.db2.gz GKTZEIPJVIZBFB-UHFFFAOYSA-N 2 0 345.487 2.729 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001319039593 1328768886 /nfs/dbraw/zinc/76/88/86/1328768886.db2.gz HCVJMMTZDOXTRV-UHFFFAOYSA-N 2 0 347.547 2.903 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001281839695 1318599631 /nfs/dbraw/zinc/59/96/31/1318599631.db2.gz BQYQWOKQXODCRT-OALUTQOASA-N 2 0 333.520 2.750 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001281839671 1318600463 /nfs/dbraw/zinc/60/04/63/1318600463.db2.gz BOPRUZXYXFUGAU-UXHICEINSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001281839676 1318600770 /nfs/dbraw/zinc/60/07/70/1318600770.db2.gz BOPRUZXYXFUGAU-WOJBJXKFSA-N 2 0 345.531 2.587 10 30 EFEERP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001281976291 1318645609 /nfs/dbraw/zinc/64/56/09/1318645609.db2.gz UQJFWVYXVHAEOK-UXHICEINSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2CCCCC2)CC1 ZINC001282497829 1318971579 /nfs/dbraw/zinc/97/15/79/1318971579.db2.gz REAWRGNMSWUXHS-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001282567095 1319001112 /nfs/dbraw/zinc/00/11/12/1319001112.db2.gz GBRTXFYRCBUFME-MOPGFXCFSA-N 2 0 335.536 2.737 10 30 EFEERP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001282674495 1319064590 /nfs/dbraw/zinc/06/45/90/1319064590.db2.gz FHKYGWGEHWGSEY-VQIMIIECSA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001282742087 1319104411 /nfs/dbraw/zinc/10/44/11/1319104411.db2.gz XGMRZMIBVSQEMF-IEBWSBKVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001282744684 1319106654 /nfs/dbraw/zinc/10/66/54/1319106654.db2.gz PYMHENGOEFWBKZ-BEFAXECRSA-N 2 0 339.499 2.602 10 30 EFEERP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282834793 1319153092 /nfs/dbraw/zinc/15/30/92/1319153092.db2.gz VZQUEEUGBYNPOQ-ZWKOTPCHSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001282959054 1319217382 /nfs/dbraw/zinc/21/73/82/1319217382.db2.gz SNRQNYCYMCCIDT-GBESFXJTSA-N 2 0 333.520 2.511 10 30 EFEERP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001283172545 1319394820 /nfs/dbraw/zinc/39/48/20/1319394820.db2.gz DLRMOIRAWHOFIA-MSOLQXFVSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001283344470 1319579124 /nfs/dbraw/zinc/57/91/24/1319579124.db2.gz RNXMPVAACCYSHK-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001283722607 1319998155 /nfs/dbraw/zinc/99/81/55/1319998155.db2.gz LKAZFJBJGFNGDE-ROUUACIJSA-N 2 0 341.499 2.529 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCCCC=C)[C@@H]2C)CC1 ZINC001283937674 1320103207 /nfs/dbraw/zinc/10/32/07/1320103207.db2.gz DFSGINYOTVSYPJ-AZUAARDMSA-N 2 0 345.531 2.657 10 30 EFEERP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3ccnc3CC)CCC[C@H]12 ZINC001284056876 1320169534 /nfs/dbraw/zinc/16/95/34/1320169534.db2.gz IYFWQJMGIBDKHY-ABSDTBQOSA-N 2 0 342.487 2.533 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC001284056888 1320169894 /nfs/dbraw/zinc/16/98/94/1320169894.db2.gz IYRROHBTHAEXNH-WDYCEAGBSA-N 2 0 330.476 2.659 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC001284072469 1320180189 /nfs/dbraw/zinc/18/01/89/1320180189.db2.gz RPYSMWKIVBYIAS-AZUAARDMSA-N 2 0 344.503 2.822 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001284224724 1320275916 /nfs/dbraw/zinc/27/59/16/1320275916.db2.gz JNGBJNKZHHVMKG-HKUYNNGSSA-N 2 0 329.488 2.812 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC(C)C)C(C)(C)C2)CC1 ZINC001284350615 1320332053 /nfs/dbraw/zinc/33/20/53/1320332053.db2.gz XKGUAXZSTAIOKK-IBGZPJMESA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001284918052 1320595155 /nfs/dbraw/zinc/59/51/55/1320595155.db2.gz VJRIEGNCLMTMAE-HXUWFJFHSA-N 2 0 345.531 2.823 10 30 EFEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633682 1328934078 /nfs/dbraw/zinc/93/40/78/1328934078.db2.gz KAROUTQYYJENEE-ICSRJNTNSA-N 2 0 347.547 2.927 10 30 EFEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319633684 1328934429 /nfs/dbraw/zinc/93/44/29/1328934429.db2.gz KAROUTQYYJENEE-QUCCMNQESA-N 2 0 347.547 2.927 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001319659509 1328941708 /nfs/dbraw/zinc/94/17/08/1328941708.db2.gz LTILCCOHVPFGBF-GOSISDBHSA-N 2 0 333.520 2.539 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001319666259 1328944933 /nfs/dbraw/zinc/94/49/33/1328944933.db2.gz AFIABZDQKOTSCQ-UXHICEINSA-N 2 0 347.547 2.785 10 30 EFEERP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001319867556 1329022394 /nfs/dbraw/zinc/02/23/94/1329022394.db2.gz FUXNCEXWALCLSC-FXAWDEMLSA-N 2 0 341.499 2.602 10 30 EFEERP C=CCO[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001320086311 1329073431 /nfs/dbraw/zinc/07/34/31/1329073431.db2.gz LBTVHTLYOOLHEC-HXUWFJFHSA-N 2 0 330.472 2.938 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001320110995 1329083800 /nfs/dbraw/zinc/08/38/00/1329083800.db2.gz KJXRSWIULSDHIC-MOPGFXCFSA-N 2 0 333.520 2.607 10 30 EFEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316664227 1323504678 /nfs/dbraw/zinc/50/46/78/1323504678.db2.gz LTGAIBKLDHRSOY-DFQSSKMNSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001320144933 1329097199 /nfs/dbraw/zinc/09/71/99/1329097199.db2.gz DZTYDSICQJIFMQ-QAPCUYQASA-N 2 0 326.444 2.707 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001491808386 1323958239 /nfs/dbraw/zinc/95/82/39/1323958239.db2.gz JVPANOBKLRMKDN-HNNXBMFYSA-N 2 0 335.517 2.828 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492085203 1324245669 /nfs/dbraw/zinc/24/56/69/1324245669.db2.gz MNBMXEBJTORPBZ-QAPCUYQASA-N 2 0 327.488 2.650 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001492178545 1324318372 /nfs/dbraw/zinc/31/83/72/1324318372.db2.gz PELWTOCQVCFGFT-VQTJNVASSA-N 2 0 347.547 2.881 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001316683882 1324572408 /nfs/dbraw/zinc/57/24/08/1324572408.db2.gz GJJRQXUGQLUMGF-VQTJNVASSA-N 2 0 347.547 2.883 10 30 EFEERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001320609530 1329177008 /nfs/dbraw/zinc/17/70/08/1329177008.db2.gz UKVJZSOPCTXJTB-YJBOKZPZSA-N 2 0 349.906 2.516 10 30 EFEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001316714517 1325090028 /nfs/dbraw/zinc/09/00/28/1325090028.db2.gz UOMVNNSTBZTINM-AQNXPRMDSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001316792848 1325142287 /nfs/dbraw/zinc/14/22/87/1325142287.db2.gz NNLZLOCEJLRQCL-GJYPPUQNSA-N 2 0 339.499 2.744 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001316806708 1325155859 /nfs/dbraw/zinc/15/58/59/1325155859.db2.gz LTGJTWZDUKZLRT-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001316806232 1325156388 /nfs/dbraw/zinc/15/63/88/1325156388.db2.gz MKINQIVZLCHDES-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001316918267 1325347287 /nfs/dbraw/zinc/34/72/87/1325347287.db2.gz RYZJTUHSULFZBN-MOPGFXCFSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001316918268 1325347338 /nfs/dbraw/zinc/34/73/38/1325347338.db2.gz RYZJTUHSULFZBN-OALUTQOASA-N 2 0 333.520 2.940 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCCC)C2)CC1 ZINC001316950909 1325410026 /nfs/dbraw/zinc/41/00/26/1325410026.db2.gz FFLVEBMAJXGFMG-HXUWFJFHSA-N 2 0 347.547 2.883 10 30 EFEERP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001317005034 1325475446 /nfs/dbraw/zinc/47/54/46/1325475446.db2.gz DMIUWAVSSMAAKP-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001317006895 1325477775 /nfs/dbraw/zinc/47/77/75/1325477775.db2.gz YJWWWEIKWJTXFB-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001317006884 1325477982 /nfs/dbraw/zinc/47/79/82/1325477982.db2.gz SHTDOGVMWQPNNM-LJQANCHMSA-N 2 0 335.536 2.833 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001317013479 1325482800 /nfs/dbraw/zinc/48/28/00/1325482800.db2.gz OGHROYILTWYOHD-HKUYNNGSSA-N 2 0 333.520 2.702 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317037904 1325505162 /nfs/dbraw/zinc/50/51/62/1325505162.db2.gz CFWSNEIWIYTFHS-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317046746 1325517818 /nfs/dbraw/zinc/51/78/18/1325517818.db2.gz XADBURRZHUKYMT-IBGZPJMESA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001317099695 1325563440 /nfs/dbraw/zinc/56/34/40/1325563440.db2.gz INVRRMNQXHCGBY-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001317099693 1325563990 /nfs/dbraw/zinc/56/39/90/1325563990.db2.gz INVRRMNQXHCGBY-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001317104366 1325572437 /nfs/dbraw/zinc/57/24/37/1325572437.db2.gz JAMYDBFUMGAGFD-RBUKOAKNSA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317144142 1327638051 /nfs/dbraw/zinc/63/80/51/1327638051.db2.gz QQUFTSJGDBHIQZ-HKUYNNGSSA-N 2 0 329.488 2.694 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317166577 1327665259 /nfs/dbraw/zinc/66/52/59/1327665259.db2.gz MIWKCFJFOXQEGD-QGZVFWFLSA-N 2 0 341.927 2.833 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001317168896 1327667428 /nfs/dbraw/zinc/66/74/28/1327667428.db2.gz XMWMRWHLQLSZNG-KRWDZBQOSA-N 2 0 345.487 2.587 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317191625 1327711303 /nfs/dbraw/zinc/71/13/03/1327711303.db2.gz IPHSGXBGLGJEHM-VQIMIIECSA-N 2 0 339.499 2.746 10 30 EFEERP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208789 1327745508 /nfs/dbraw/zinc/74/55/08/1327745508.db2.gz NRXJRARBAWKXHH-VQTJNVASSA-N 2 0 345.531 2.731 10 30 EFEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001317672055 1328266640 /nfs/dbraw/zinc/26/66/40/1328266640.db2.gz QLTSZFVPRRXWAH-YTQUADARSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317674901 1328269740 /nfs/dbraw/zinc/26/97/40/1328269740.db2.gz JKLRDTORXSSXDY-QGZVFWFLSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317761833 1328358770 /nfs/dbraw/zinc/35/87/70/1328358770.db2.gz QBSKIIUITPMWDV-GOSISDBHSA-N 2 0 338.455 2.593 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCCCCC)C2)CC1 ZINC001317864859 1328426646 /nfs/dbraw/zinc/42/66/46/1328426646.db2.gz YDELZTCBUKUUCC-IBGZPJMESA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001317877201 1328434405 /nfs/dbraw/zinc/43/44/05/1328434405.db2.gz UONYYWQBRMLHIO-RTBURBONSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001318047176 1328482729 /nfs/dbraw/zinc/48/27/29/1328482729.db2.gz IMRQVZIUOVJJPX-MRXNPFEDSA-N 2 0 329.488 2.559 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCC2CCCC2)CC1 ZINC001322308534 1329445211 /nfs/dbraw/zinc/44/52/11/1329445211.db2.gz YOEIGUTYKGSNFN-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001323637359 1329556634 /nfs/dbraw/zinc/55/66/34/1329556634.db2.gz KXBIOARYMHODOE-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1cnc[nH]1 ZINC001323661486 1329559742 /nfs/dbraw/zinc/55/97/42/1329559742.db2.gz YBEIERJGDIQAEZ-UNPWZGGWSA-N 2 0 330.476 2.809 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001323736859 1329566986 /nfs/dbraw/zinc/56/69/86/1329566986.db2.gz WJDQXDLJMOHDME-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001323813141 1329574201 /nfs/dbraw/zinc/57/42/01/1329574201.db2.gz OLUCUIRJUPEIEF-OAQYLSRUSA-N 2 0 347.547 2.836 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001323844400 1329577322 /nfs/dbraw/zinc/57/73/22/1329577322.db2.gz KKXGECHKUIGUCC-UYAOXDASSA-N 2 0 335.536 2.975 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001323844394 1329577436 /nfs/dbraw/zinc/57/74/36/1329577436.db2.gz KKXGECHKUIGUCC-ICSRJNTNSA-N 2 0 335.536 2.975 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001323858646 1329579538 /nfs/dbraw/zinc/57/95/38/1329579538.db2.gz QHBRFCPSKUWEGO-IEBWSBKVSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001323980352 1329589230 /nfs/dbraw/zinc/58/92/30/1329589230.db2.gz BAUGYTZWRJLNBW-KRWDZBQOSA-N 2 0 343.515 2.902 10 30 EFEERP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC)CC1 ZINC001324395975 1329623437 /nfs/dbraw/zinc/62/34/37/1329623437.db2.gz KMTIXZLLKNNWGP-SFHVURJKSA-N 2 0 333.520 2.587 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001324420221 1329625573 /nfs/dbraw/zinc/62/55/73/1329625573.db2.gz OAHNQBGCVWGRTN-OALUTQOASA-N 2 0 345.531 2.609 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001324440220 1329627819 /nfs/dbraw/zinc/62/78/19/1329627819.db2.gz BSAIIYMJLYZWEG-PMACEKPBSA-N 2 0 337.467 2.867 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001324482086 1329632064 /nfs/dbraw/zinc/63/20/64/1329632064.db2.gz JISDUWPMJCLKQL-GOSISDBHSA-N 2 0 333.520 2.703 10 30 EFEERP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001324557751 1329639734 /nfs/dbraw/zinc/63/97/34/1329639734.db2.gz UEHLGILUTMPDFH-HXUWFJFHSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001325508703 1329693284 /nfs/dbraw/zinc/69/32/84/1329693284.db2.gz LIASHPCBNUWIGY-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001325523725 1329694008 /nfs/dbraw/zinc/69/40/08/1329694008.db2.gz APUAVENPGKTWIL-ZBFHGGJFSA-N 2 0 335.517 2.684 10 30 EFEERP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001325556743 1329696829 /nfs/dbraw/zinc/69/68/29/1329696829.db2.gz UVGRQRMAQYZYRE-MJGOQNOKSA-N 2 0 337.552 2.983 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001325666279 1329705095 /nfs/dbraw/zinc/70/50/95/1329705095.db2.gz UJSQOEZKUCHGJY-VAMGGRTRSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001325754227 1329710965 /nfs/dbraw/zinc/71/09/65/1329710965.db2.gz PUNCIDNECSTWNI-HAGHYFMRSA-N 2 0 347.547 2.852 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001325902154 1329723258 /nfs/dbraw/zinc/72/32/58/1329723258.db2.gz ZZTIHMCGSZTUIM-RDGPPVDQSA-N 2 0 333.520 2.748 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001325918985 1329724362 /nfs/dbraw/zinc/72/43/62/1329724362.db2.gz FZWSTGYXWTVNHB-ROUUACIJSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001326378696 1329751582 /nfs/dbraw/zinc/75/15/82/1329751582.db2.gz AAYUXTRDKLWMAJ-IRXDYDNUSA-N 2 0 341.927 2.832 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001326467036 1329758743 /nfs/dbraw/zinc/75/87/43/1329758743.db2.gz DWPWGXBXLXXBPL-YLJYHZDGSA-N 2 0 341.499 2.707 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001326542003 1330314848 /nfs/dbraw/zinc/31/48/48/1330314848.db2.gz PYLSGZJPRFBFBN-GUDVDZBRSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001326557627 1330317212 /nfs/dbraw/zinc/31/72/12/1330317212.db2.gz DBBMKHPBWCNTFN-WGSAOQKQSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCC[NH+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001326602776 1330326149 /nfs/dbraw/zinc/32/61/49/1330326149.db2.gz HAAWXHNAOQKUIL-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001327174151 1330436579 /nfs/dbraw/zinc/43/65/79/1330436579.db2.gz XLZHJXASRWRJDI-QGZVFWFLSA-N 2 0 341.927 2.976 10 30 EFEERP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001327212974 1330442641 /nfs/dbraw/zinc/44/26/41/1330442641.db2.gz MTLGVFKAFSWSCJ-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001327230428 1330444199 /nfs/dbraw/zinc/44/41/99/1330444199.db2.gz TWEANASOBXPXAM-UHFFFAOYSA-N 2 0 341.459 2.627 10 30 EFEERP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001327528870 1330495693 /nfs/dbraw/zinc/49/56/93/1330495693.db2.gz CZWYYCLWJAGPDW-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001327540196 1330496684 /nfs/dbraw/zinc/49/66/84/1330496684.db2.gz HDFCMLLVGVHNIZ-NRFANRHFSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001327886749 1330526916 /nfs/dbraw/zinc/52/69/16/1330526916.db2.gz UYXYHVRJWSGZDX-PXNSSMCTSA-N 2 0 343.515 2.807 10 30 EFEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001327982394 1330538257 /nfs/dbraw/zinc/53/82/57/1330538257.db2.gz PZEBEKZYFRJAQE-GOSISDBHSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001328099346 1330556259 /nfs/dbraw/zinc/55/62/59/1330556259.db2.gz UFCZYNLDBKGZBR-ZWKOTPCHSA-N 2 0 329.488 2.692 10 30 EFEERP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812995 1330637229 /nfs/dbraw/zinc/63/72/29/1330637229.db2.gz TVCMZBGTAYEXEW-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001328812992 1330637570 /nfs/dbraw/zinc/63/75/70/1330637570.db2.gz TVCMZBGTAYEXEW-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP C[C@H](CCC[NH2+]CC#Cc1ccccc1Cl)NC(=O)CC[NH+](C)C ZINC001330912238 1330769632 /nfs/dbraw/zinc/76/96/32/1330769632.db2.gz XBRHEOULJICJIA-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C=CCCCCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001331028466 1330784939 /nfs/dbraw/zinc/78/49/39/1330784939.db2.gz HPUZYGGAUHAGAS-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001332027970 1330906647 /nfs/dbraw/zinc/90/66/47/1330906647.db2.gz NIUPQUADFZSMIQ-LPHOPBHVSA-N 2 0 329.488 2.559 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001332110373 1330921357 /nfs/dbraw/zinc/92/13/57/1330921357.db2.gz JGHFSKRGUKZHGB-WIYYLYMNSA-N 2 0 345.531 2.942 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(CC)CC)C(C)(C)C2)CC1 ZINC001332454235 1330973581 /nfs/dbraw/zinc/97/35/81/1330973581.db2.gz TZABVIOUFICREY-IBGZPJMESA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001332460986 1330975278 /nfs/dbraw/zinc/97/52/78/1330975278.db2.gz WCFBTTGYSWIXIG-HUUCEWRRSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(C)=O)CCN(Cc2ccccc2)CC1 ZINC001333012522 1331064598 /nfs/dbraw/zinc/06/45/98/1331064598.db2.gz AWOTZKZHMIGSHZ-UHFFFAOYSA-N 2 0 329.488 2.713 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001333022215 1331068400 /nfs/dbraw/zinc/06/84/00/1331068400.db2.gz SDWPYJVOHSCMGB-HUUCEWRRSA-N 2 0 349.441 2.663 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC/C=C/CCC)C2)CC1 ZINC001333153736 1331085344 /nfs/dbraw/zinc/08/53/44/1331085344.db2.gz NCLGJTZIBRFAFO-BQYQJAHWSA-N 2 0 345.531 2.657 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)c(F)c1 ZINC001333472771 1331151167 /nfs/dbraw/zinc/15/11/67/1331151167.db2.gz IJKOQEPMBXWPLC-UHFFFAOYSA-N 2 0 345.462 2.736 10 30 EFEERP C#CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)c(F)c1 ZINC001333479709 1331153193 /nfs/dbraw/zinc/15/31/93/1331153193.db2.gz NIMFROLCERUPSN-UHFFFAOYSA-N 2 0 347.478 2.533 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001480272687 1333516956 /nfs/dbraw/zinc/51/69/56/1333516956.db2.gz YAMPXVSSUYSYHL-UEKDZROGSA-N 2 0 345.531 2.516 10 30 EFEERP CC1(C)CC(=NNCCCn2ccnc2)CN1Cc1ccccc1 ZINC000848416444 1334713280 /nfs/dbraw/zinc/71/32/80/1334713280.db2.gz LHQFQVQHTYQOGN-UHFFFAOYSA-N 2 0 325.460 2.903 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001366224951 1337457183 /nfs/dbraw/zinc/45/71/83/1337457183.db2.gz HXNUVORGABQTAG-HZPDHXFCSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001367228131 1338535761 /nfs/dbraw/zinc/53/57/61/1338535761.db2.gz NPDCNFWYIKYWCD-IAGOWNOFSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001367228133 1338536048 /nfs/dbraw/zinc/53/60/48/1338536048.db2.gz NPDCNFWYIKYWCD-SJORKVTESA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001368192303 1339246681 /nfs/dbraw/zinc/24/66/81/1339246681.db2.gz CXQJKLJKYRRQEG-AEFFLSMTSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001368192305 1339246950 /nfs/dbraw/zinc/24/69/50/1339246950.db2.gz CXQJKLJKYRRQEG-FUHWJXTLSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(Cl)CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368402843 1339341465 /nfs/dbraw/zinc/34/14/65/1339341465.db2.gz AXAJFMKVBYYCPV-QGZVFWFLSA-N 2 0 335.879 2.581 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001373041957 1340883073 /nfs/dbraw/zinc/88/30/73/1340883073.db2.gz YOZCGZDVOBQCDU-RDJZCZTQSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001373041950 1340883088 /nfs/dbraw/zinc/88/30/88/1340883088.db2.gz YOZCGZDVOBQCDU-DOTOQJQBSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001373771756 1341141346 /nfs/dbraw/zinc/14/13/46/1341141346.db2.gz UDFTWKZFMDZLEI-CQSZACIVSA-N 2 0 329.916 2.876 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001373771754 1341141341 /nfs/dbraw/zinc/14/13/41/1341141341.db2.gz UDFTWKZFMDZLEI-AWEZNQCLSA-N 2 0 329.916 2.876 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001373961290 1341255936 /nfs/dbraw/zinc/25/59/36/1341255936.db2.gz YVWLXNQDBUTJSB-SJORKVTESA-N 2 0 339.911 2.727 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001375766272 1342988361 /nfs/dbraw/zinc/98/83/61/1342988361.db2.gz DLHMJCOECJJEFU-HOTGVXAUSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001375792663 1343020666 /nfs/dbraw/zinc/02/06/66/1343020666.db2.gz ZIGWHNJIMQWNLF-SJORKVTESA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001375917440 1343165136 /nfs/dbraw/zinc/16/51/36/1343165136.db2.gz LYAUQGUHTXKVKJ-MRXNPFEDSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001376375781 1343526718 /nfs/dbraw/zinc/52/67/18/1343526718.db2.gz DLZCYKGHZCTYCX-ULQDDVLXSA-N 2 0 341.927 2.593 10 30 EFEERP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001377860494 1344521890 /nfs/dbraw/zinc/52/18/90/1344521890.db2.gz VMSBPKWBSLVGQF-CVEARBPZSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001378368386 1345017449 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WEMZZTYVHONUJU-JQHSSLGASA-N 2 0 349.906 2.569 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001402950219 1364156665 /nfs/dbraw/zinc/15/66/65/1364156665.db2.gz YMBSMAKWJDEHHY-DLBZAZTESA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001402950222 1364157056 /nfs/dbraw/zinc/15/70/56/1364157056.db2.gz YMBSMAKWJDEHHY-IAGOWNOFSA-N 2 0 341.927 2.640 10 30 EFEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]2C1 ZINC001403428398 1364632709 /nfs/dbraw/zinc/63/27/09/1364632709.db2.gz ZHBRANSUKWUXNG-BBWFWOEESA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001403466659 1364669550 /nfs/dbraw/zinc/66/95/50/1364669550.db2.gz ZLXMPKUVYXDFOZ-BRWVUGGUSA-N 2 0 341.927 2.734 10 30 EFEERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C)[NH+](C)C ZINC001403977487 1365125359 /nfs/dbraw/zinc/12/53/59/1365125359.db2.gz BBYDWZNHHJYLGW-MSOLQXFVSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406087299 1367206523 /nfs/dbraw/zinc/20/65/23/1367206523.db2.gz WAICTXDUUIWMMB-HOTGVXAUSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001417863709 1373357975 /nfs/dbraw/zinc/35/79/75/1373357975.db2.gz VHJNCTMDYOBZFJ-HNNXBMFYSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418022171 1373534934 /nfs/dbraw/zinc/53/49/34/1373534934.db2.gz RPAUGOFZJFTZLS-DLBZAZTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001438296989 1388490128 /nfs/dbraw/zinc/49/01/28/1388490128.db2.gz BMPVSRSTIFOHOA-JKSUJKDBSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001422002947 1379465343 /nfs/dbraw/zinc/46/53/43/1379465343.db2.gz LVDIHXDOZGLGOV-HOTGVXAUSA-N 2 0 329.916 2.732 10 30 EFEERP 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WCWXVSWGSJPRAB-CYBMUJFWSA-N 2 0 334.851 2.883 10 30 EFEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001506958361 1406502493 /nfs/dbraw/zinc/50/24/93/1406502493.db2.gz RXQVUOCBOOVFPZ-GOSISDBHSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001447436590 1391714200 /nfs/dbraw/zinc/71/42/00/1391714200.db2.gz UOMBRQMSRFCBJV-UHFFFAOYSA-N 2 0 341.927 2.976 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455072670 1394544680 /nfs/dbraw/zinc/54/46/80/1394544680.db2.gz UPXZZUKXXGRAAZ-LJQANCHMSA-N 2 0 329.488 2.617 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001479501658 1397739171 /nfs/dbraw/zinc/73/91/71/1397739171.db2.gz LWYYZHCEWHUMMU-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+]C[C@H](C)CC)C2)CC1 ZINC001479695783 1397767269 /nfs/dbraw/zinc/76/72/69/1397767269.db2.gz OQNPTQLAUSCANO-QUCCMNQESA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001479855196 1397956547 /nfs/dbraw/zinc/95/65/47/1397956547.db2.gz YIFBMDYCVOGDKP-UXHICEINSA-N 2 0 343.515 2.736 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001479893898 1398007188 /nfs/dbraw/zinc/00/71/88/1398007188.db2.gz AHDZPOZJMOEFLR-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001479967442 1398052677 /nfs/dbraw/zinc/05/26/77/1398052677.db2.gz RULIEZXNWGBWLN-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479988384 1398073475 /nfs/dbraw/zinc/07/34/75/1398073475.db2.gz PAILSVHKTPWWNF-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001479993090 1398077890 /nfs/dbraw/zinc/07/78/90/1398077890.db2.gz JQOJXGQIUCTDKK-GOSISDBHSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480078390 1398113591 /nfs/dbraw/zinc/11/35/91/1398113591.db2.gz KVSHVIMQNBKXIL-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480158421 1398132857 /nfs/dbraw/zinc/13/28/57/1398132857.db2.gz PHMSNZSCMDOPKL-IUVQAAGXSA-N 2 0 339.499 2.790 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001480367527 1398181212 /nfs/dbraw/zinc/18/12/12/1398181212.db2.gz KXFNNXDYIVENJY-HOTGVXAUSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001507355561 1406943534 /nfs/dbraw/zinc/94/35/34/1406943534.db2.gz LANOXZLXJANBDR-AZUAARDMSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507358381 1406946938 /nfs/dbraw/zinc/94/69/38/1406946938.db2.gz WGIOBQCOWVAZHY-UYAOXDASSA-N 2 0 333.520 2.942 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001507364564 1406957325 /nfs/dbraw/zinc/95/73/25/1406957325.db2.gz PFZNFZZOMBXLKK-IPMKNSEASA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001493839070 1398914709 /nfs/dbraw/zinc/91/47/09/1398914709.db2.gz COOCYVUGWLSFKI-INIZCTEOSA-N 2 0 329.488 2.765 10 30 EFEERP C=C(C)C[N@@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001493869565 1398937492 /nfs/dbraw/zinc/93/74/92/1398937492.db2.gz DCYNXQODWVAXRC-LJQANCHMSA-N 2 0 341.515 2.992 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494070423 1399109327 /nfs/dbraw/zinc/10/93/27/1399109327.db2.gz RJXXPDQTBDOJHE-IBGZPJMESA-N 2 0 347.547 2.903 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001494325808 1399280069 /nfs/dbraw/zinc/28/00/69/1399280069.db2.gz KERGPPXEVBMQDF-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001494680535 1399428420 /nfs/dbraw/zinc/42/84/20/1399428420.db2.gz QPTLRXMQTMUWOX-OALUTQOASA-N 2 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C=CCCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001496326901 1400642048 /nfs/dbraw/zinc/64/20/48/1400642048.db2.gz PVKSCNRZUIMGEU-GOSISDBHSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001496358771 1400670172 /nfs/dbraw/zinc/67/01/72/1400670172.db2.gz CUPMWYBGVAEVFH-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC/C=C\CC)[C@@H](C)C2)CC1 ZINC001496369776 1400679626 /nfs/dbraw/zinc/67/96/26/1400679626.db2.gz LJLMZPJHRKTYFD-AQIYZVDXSA-N 2 0 345.531 2.515 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001496443808 1400734207 /nfs/dbraw/zinc/73/42/07/1400734207.db2.gz IIGOTVDIMDNVDQ-QZTJIDSGSA-N 2 0 347.547 2.879 10 30 EFEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496450722 1400740263 /nfs/dbraw/zinc/74/02/63/1400740263.db2.gz OPUCHYHUHAHYHM-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001497331632 1401307940 /nfs/dbraw/zinc/30/79/40/1401307940.db2.gz MXXUMXMGFOXJMC-QZTJIDSGSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)(C)C ZINC001508003091 1407237585 /nfs/dbraw/zinc/23/75/85/1407237585.db2.gz GVAXZAUBZXSKQB-HOTGVXAUSA-N 2 0 343.943 2.981 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1CC ZINC001498905256 1402372328 /nfs/dbraw/zinc/37/23/28/1402372328.db2.gz YWLNFAPYSBDRQX-CVEARBPZSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CCCCCC1 ZINC001499522510 1402658268 /nfs/dbraw/zinc/65/82/68/1402658268.db2.gz KORJKQIXEUKSMP-UHFFFAOYSA-N 2 0 329.916 2.832 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001499528314 1402663707 /nfs/dbraw/zinc/66/37/07/1402663707.db2.gz XKFICXCFKJYYPX-UHFFFAOYSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001499578365 1402696923 /nfs/dbraw/zinc/69/69/23/1402696923.db2.gz MGYNUSFYIHVLLF-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001499585621 1402701548 /nfs/dbraw/zinc/70/15/48/1402701548.db2.gz XSBQNEKQHAYPGK-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001499601908 1402710867 /nfs/dbraw/zinc/71/08/67/1402710867.db2.gz FVSADFZAIYPUQO-PKOBYXMFSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499613658 1402718930 /nfs/dbraw/zinc/71/89/30/1402718930.db2.gz GNQMRDBVSHPGBR-IEBWSBKVSA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001500095755 1402935051 /nfs/dbraw/zinc/93/50/51/1402935051.db2.gz OMSHVWWZDXCZAK-RTBURBONSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001501221810 1403498589 /nfs/dbraw/zinc/49/85/89/1403498589.db2.gz LPVPGGIFZNGEND-INDMIFKZSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001501404687 1403591706 /nfs/dbraw/zinc/59/17/06/1403591706.db2.gz SSDUCEUJOZEFPV-RTBURBONSA-N 2 0 333.520 2.894 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCCC)CC1 ZINC001501407335 1403593021 /nfs/dbraw/zinc/59/30/21/1403593021.db2.gz BKJYSFCOWZGSBA-VQTJNVASSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001501573841 1403633022 /nfs/dbraw/zinc/63/30/22/1403633022.db2.gz BNTYQQVWNUTYEK-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCCC(C)C)C2)CC1 ZINC001501650795 1403667435 /nfs/dbraw/zinc/66/74/35/1403667435.db2.gz IRRQTJBBCRCNID-LJQANCHMSA-N 2 0 347.547 2.596 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001501737146 1403754748 /nfs/dbraw/zinc/75/47/48/1403754748.db2.gz LIKMAVJMHCYQEG-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCC[N@H+]1CCc2c(CNC(=O)C3(C[NH+](C)C)CC3)cccc2C1 ZINC001501854053 1403826955 /nfs/dbraw/zinc/82/69/55/1403826955.db2.gz KBMYECBXMMNMKT-UHFFFAOYSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCC[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001501856948 1403832726 /nfs/dbraw/zinc/83/27/26/1403832726.db2.gz RXICPVRFLPDJBD-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001502367232 1404106488 /nfs/dbraw/zinc/10/64/88/1404106488.db2.gz BAKKEWMWYQUZOM-WMZOPIPTSA-N 2 0 346.519 2.889 10 30 EFEERP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001502495051 1404198130 /nfs/dbraw/zinc/19/81/30/1404198130.db2.gz ZBTLWZQCURZCHK-GOSISDBHSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001502652983 1404288238 /nfs/dbraw/zinc/28/82/38/1404288238.db2.gz MLAUZSZFWBDMRV-LJQANCHMSA-N 2 0 329.488 2.781 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C(C)C)cc2C1 ZINC001502653738 1404289094 /nfs/dbraw/zinc/28/90/94/1404289094.db2.gz UJECJJIVKCXJFE-UHFFFAOYSA-N 2 0 329.488 2.925 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001502786705 1404343362 /nfs/dbraw/zinc/34/33/62/1404343362.db2.gz WVMGWKSZQMZEKS-INIZCTEOSA-N 2 0 341.927 2.830 10 30 EFEERP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001502804315 1404353559 /nfs/dbraw/zinc/35/35/59/1404353559.db2.gz PJIRJPOTEUYKMG-IBGZPJMESA-N 2 0 341.499 2.673 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C[C@H]1C ZINC001502987268 1404450944 /nfs/dbraw/zinc/45/09/44/1404450944.db2.gz LTSGZIRVWCZQRV-UYAOXDASSA-N 2 0 343.515 2.706 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001505415138 1404574581 /nfs/dbraw/zinc/57/45/81/1404574581.db2.gz BLKXMQQDTWUTAQ-CEXWTWQISA-N 2 0 329.488 2.665 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001725787124 1425852159 /nfs/dbraw/zinc/85/21/59/1425852159.db2.gz YQUYGNNTGQGWAY-UHFFFAOYSA-N 2 0 343.515 2.950 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505637014 1404880268 /nfs/dbraw/zinc/88/02/68/1404880268.db2.gz GMGCHSSHTXZCNZ-KGLIPLIRSA-N 2 0 329.916 2.875 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001505790042 1405072365 /nfs/dbraw/zinc/07/23/65/1405072365.db2.gz MKCZNUBPFLPZJV-UHFFFAOYSA-N 2 0 329.916 2.830 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001506574618 1405990096 /nfs/dbraw/zinc/99/00/96/1405990096.db2.gz ZVRWHKHZUMJDLR-LJQANCHMSA-N 2 0 347.547 2.883 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001506574613 1405990700 /nfs/dbraw/zinc/99/07/00/1405990700.db2.gz ZVRWHKHZUMJDLR-IBGZPJMESA-N 2 0 347.547 2.883 10 30 EFEERP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001565868447 1415439590 /nfs/dbraw/zinc/43/95/90/1415439590.db2.gz GDDRSKCOHPPECN-WKILWMFISA-N 2 0 326.444 2.707 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001565885092 1415443889 /nfs/dbraw/zinc/44/38/89/1415443889.db2.gz MSNFHOOPEOJCPZ-VQTJNVASSA-N 2 0 343.515 2.879 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001565943312 1415461627 /nfs/dbraw/zinc/46/16/27/1415461627.db2.gz OZYNLWXPNAQQDR-ZBFHGGJFSA-N 2 0 329.916 2.686 10 30 EFEERP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001565941065 1415459151 /nfs/dbraw/zinc/45/91/51/1415459151.db2.gz HZORTXGLJXXBSY-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001565941063 1415459390 /nfs/dbraw/zinc/45/93/90/1415459390.db2.gz HZORTXGLJXXBSY-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001565986679 1415470998 /nfs/dbraw/zinc/47/09/98/1415470998.db2.gz JUEHMJBYXOKKDI-GUDVDZBRSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566001119 1415478404 /nfs/dbraw/zinc/47/84/04/1415478404.db2.gz SMKRLKFOIARBPA-WOJBJXKFSA-N 2 0 343.515 2.877 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001566002272 1415479043 /nfs/dbraw/zinc/47/90/43/1415479043.db2.gz VTYOLRLXDNLBFO-HUUCEWRRSA-N 2 0 349.441 2.519 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001566002385 1415479666 /nfs/dbraw/zinc/47/96/66/1415479666.db2.gz ZASNLCABKHVBCC-LSDHHAIUSA-N 2 0 349.441 2.521 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001566072206 1415504072 /nfs/dbraw/zinc/50/40/72/1415504072.db2.gz WZJJVFXTENLPOR-GOSISDBHSA-N 2 0 333.520 2.942 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001566077996 1415508463 /nfs/dbraw/zinc/50/84/63/1415508463.db2.gz VNQYULAZFDIDLC-HXUWFJFHSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001566608971 1415692741 /nfs/dbraw/zinc/69/27/41/1415692741.db2.gz MAVJQEPYSMCWLY-OALUTQOASA-N 2 0 333.520 2.892 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)CCCCC)C2)CC1 ZINC001566747011 1415760102 /nfs/dbraw/zinc/76/01/02/1415760102.db2.gz WJFVDKDAFXZSPH-IBGZPJMESA-N 2 0 347.547 2.692 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001566914208 1415841542 /nfs/dbraw/zinc/84/15/42/1415841542.db2.gz ZDLNLCVTQBMBIM-GOSISDBHSA-N 2 0 329.488 2.766 10 30 EFEERP C#CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001566962972 1415876561 /nfs/dbraw/zinc/87/65/61/1415876561.db2.gz OHCOVGDHSKSAHS-ROUUACIJSA-N 2 0 347.547 2.879 10 30 EFEERP C#CCC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001566992330 1415892543 /nfs/dbraw/zinc/89/25/43/1415892543.db2.gz SRMASUMOBPZWBR-UHFFFAOYSA-N 2 0 345.487 2.775 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001567256329 1416028296 /nfs/dbraw/zinc/02/82/96/1416028296.db2.gz FRPFVXZEJGRTAN-LJQANCHMSA-N 2 0 347.547 2.883 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567265936 1416043775 /nfs/dbraw/zinc/04/37/75/1416043775.db2.gz DTAGIENWVKCLRE-UXHICEINSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567415502 1416126031 /nfs/dbraw/zinc/12/60/31/1416126031.db2.gz KIDNLYHOVNTFAP-SFHVURJKSA-N 2 0 333.520 2.513 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001567627289 1416216088 /nfs/dbraw/zinc/21/60/88/1416216088.db2.gz RJQHWHIRYHTYJZ-FXAWDEMLSA-N 2 0 345.531 2.633 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001567630715 1416217457 /nfs/dbraw/zinc/21/74/57/1416217457.db2.gz XTUVHYLDEFNDQJ-GOSISDBHSA-N 2 0 343.515 2.564 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567715500 1416259259 /nfs/dbraw/zinc/25/92/59/1416259259.db2.gz KZRICKBHTIAFAT-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001567734768 1416263568 /nfs/dbraw/zinc/26/35/68/1416263568.db2.gz FTLZXORFPLRKRP-SFHVURJKSA-N 2 0 343.515 2.761 10 30 EFEERP C=CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567735962 1416264503 /nfs/dbraw/zinc/26/45/03/1416264503.db2.gz HSLJIFLYHZXDJU-GOSISDBHSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738337 1416266104 /nfs/dbraw/zinc/26/61/04/1416266104.db2.gz FCUVTUAUJRURPM-GOSISDBHSA-N 2 0 329.488 2.718 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738338 1416266521 /nfs/dbraw/zinc/26/65/21/1416266521.db2.gz FCUVTUAUJRURPM-SFHVURJKSA-N 2 0 329.488 2.718 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC1 ZINC001568011581 1416358872 /nfs/dbraw/zinc/35/88/72/1416358872.db2.gz KTASSENHDXEXHB-UHFFFAOYSA-N 2 0 345.487 2.777 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001568043739 1416373633 /nfs/dbraw/zinc/37/36/33/1416373633.db2.gz OORSNKAFSDDRRN-FXAWDEMLSA-N 2 0 333.520 2.703 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001568075655 1416397547 /nfs/dbraw/zinc/39/75/47/1416397547.db2.gz GEVUDWMHSUALNT-UXHICEINSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001568075807 1416397744 /nfs/dbraw/zinc/39/77/44/1416397744.db2.gz IUETXLHDGYONJS-QGZVFWFLSA-N 2 0 329.488 2.766 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001568075656 1416397811 /nfs/dbraw/zinc/39/78/11/1416397811.db2.gz GEVUDWMHSUALNT-VQTJNVASSA-N 2 0 347.547 2.739 10 30 EFEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001568110928 1416413867 /nfs/dbraw/zinc/41/38/67/1416413867.db2.gz WQKGLCVTNMLDKM-QWFCFKBJSA-N 2 0 345.531 2.824 10 30 EFEERP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001568156196 1416428142 /nfs/dbraw/zinc/42/81/42/1416428142.db2.gz QJRYYFDZYNSANM-IBGZPJMESA-N 2 0 345.531 2.609 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001568235375 1416450617 /nfs/dbraw/zinc/45/06/17/1416450617.db2.gz MTZILGPLVVUTLO-SJLPKXTDSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300232 1416470182 /nfs/dbraw/zinc/47/01/82/1416470182.db2.gz NCXNWWZSLLLCCC-CRAIPNDOSA-N 2 0 327.488 2.602 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)CC(C)C)CC1 ZINC001568339640 1416482329 /nfs/dbraw/zinc/48/23/29/1416482329.db2.gz YKKWORBXHHLDAN-IBGZPJMESA-N 2 0 349.563 2.888 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001568344961 1416484619 /nfs/dbraw/zinc/48/46/19/1416484619.db2.gz AGKATKOXKIHRCJ-VQTJNVASSA-N 2 0 347.547 2.786 10 30 EFEERP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568425965 1416528097 /nfs/dbraw/zinc/52/80/97/1416528097.db2.gz AZFGGSOKRSGQNN-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001689989098 1417123201 /nfs/dbraw/zinc/12/32/01/1417123201.db2.gz AFIICOFSBRCIKG-SFHVURJKSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001690103793 1417154861 /nfs/dbraw/zinc/15/48/61/1417154861.db2.gz VMQLYIUAJWOXKB-IBGZPJMESA-N 2 0 329.488 2.561 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001690135881 1417162881 /nfs/dbraw/zinc/16/28/81/1417162881.db2.gz WTQIWPMORUMLPZ-QUCCMNQESA-N 2 0 345.531 2.730 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001690138975 1417163497 /nfs/dbraw/zinc/16/34/97/1417163497.db2.gz WPKWFFNHMMIIJJ-ICSRJNTNSA-N 2 0 347.547 2.833 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690727942 1417231889 /nfs/dbraw/zinc/23/18/89/1417231889.db2.gz GWLOKHCFVUJDMI-SFHVURJKSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001691791892 1417247891 /nfs/dbraw/zinc/24/78/91/1417247891.db2.gz JKMFLAIQJJOPAR-MOPGFXCFSA-N 2 0 329.488 2.742 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001692275382 1417273789 /nfs/dbraw/zinc/27/37/89/1417273789.db2.gz GDEZILKCVBTCIN-IRXDYDNUSA-N 2 0 341.515 2.849 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001692275381 1417273920 /nfs/dbraw/zinc/27/39/20/1417273920.db2.gz GDEZILKCVBTCIN-IAGOWNOFSA-N 2 0 341.515 2.849 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001698706709 1417314053 /nfs/dbraw/zinc/31/40/53/1417314053.db2.gz ARJXUYFRUDQQMK-DSLXNQLJSA-N 2 0 333.520 2.700 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001698710476 1417316259 /nfs/dbraw/zinc/31/62/59/1417316259.db2.gz XZNPEGHTTLGWAB-VJANTYMQSA-N 2 0 333.520 2.987 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001698717775 1417319717 /nfs/dbraw/zinc/31/97/17/1417319717.db2.gz KCDLSPOGHHIHPM-MOPGFXCFSA-N 2 0 327.472 2.595 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698752123 1417328436 /nfs/dbraw/zinc/32/84/36/1417328436.db2.gz HYSGXVXSQDZRJJ-HUUCEWRRSA-N 2 0 328.460 2.953 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001698804310 1417337846 /nfs/dbraw/zinc/33/78/46/1417337846.db2.gz NOPUMSRGPHHWIA-KZNAEPCWSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001698804099 1417338018 /nfs/dbraw/zinc/33/80/18/1417338018.db2.gz ROHZZGMITVSWQW-ZWKOTPCHSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001699020251 1417372028 /nfs/dbraw/zinc/37/20/28/1417372028.db2.gz MRJFAPFJRZATIS-ROUUACIJSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699021428 1417373111 /nfs/dbraw/zinc/37/31/11/1417373111.db2.gz JSOWMGQNQKRYPL-SJLPKXTDSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699033508 1417378086 /nfs/dbraw/zinc/37/80/86/1417378086.db2.gz ZYJOTNOMKARURL-RBUKOAKNSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001699684352 1417451859 /nfs/dbraw/zinc/45/18/59/1417451859.db2.gz RNLCVZJHOONDFX-QYZOEREBSA-N 2 0 333.520 2.892 10 30 EFEERP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001699696026 1417456859 /nfs/dbraw/zinc/45/68/59/1417456859.db2.gz YBXBTNLSBZJNFO-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001699792913 1417470256 /nfs/dbraw/zinc/47/02/56/1417470256.db2.gz QVQABKOHARTRAL-IBGZPJMESA-N 2 0 347.547 2.786 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001699849068 1417477213 /nfs/dbraw/zinc/47/72/13/1417477213.db2.gz RJINITQCWJIJGY-OAQYLSRUSA-N 2 0 343.515 2.809 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001699945613 1417518150 /nfs/dbraw/zinc/51/81/50/1417518150.db2.gz UTHJOLISYOANAG-XLIONFOSSA-N 2 0 343.515 2.807 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699980180 1417535804 /nfs/dbraw/zinc/53/58/04/1417535804.db2.gz WUZBSODGUNGTNR-WTGUMLROSA-N 2 0 345.531 2.539 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700089654 1417561860 /nfs/dbraw/zinc/56/18/60/1417561860.db2.gz DVKTZQMXEPNOHB-UHFFFAOYSA-N 2 0 329.488 2.795 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001700090543 1417562738 /nfs/dbraw/zinc/56/27/38/1417562738.db2.gz HFIQBIZINMMQPC-UHFFFAOYSA-N 2 0 329.488 2.653 10 30 EFEERP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001700094861 1417565309 /nfs/dbraw/zinc/56/53/09/1417565309.db2.gz OIOSOWHXZBVGJW-LSTHTHJFSA-N 2 0 341.499 2.707 10 30 EFEERP C=C(C)CC[N@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001700123259 1417573897 /nfs/dbraw/zinc/57/38/97/1417573897.db2.gz YXIBNIXSIHEIDJ-FQEVSTJZSA-N 2 0 343.515 2.967 10 30 EFEERP CC#CC[NH2+][C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001700714135 1417627178 /nfs/dbraw/zinc/62/71/78/1417627178.db2.gz QWEZHXFGJWEJMJ-LJQANCHMSA-N 2 0 329.488 2.506 10 30 EFEERP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001700942192 1417691300 /nfs/dbraw/zinc/69/13/00/1417691300.db2.gz LKOQTZALHUKVSV-RBUKOAKNSA-N 2 0 345.531 2.633 10 30 EFEERP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713132575 1418334481 /nfs/dbraw/zinc/33/44/81/1418334481.db2.gz BJKKRQMHMAKVMV-ICSRJNTNSA-N 2 0 345.531 2.587 10 30 EFEERP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCCCCC ZINC001713271293 1418438609 /nfs/dbraw/zinc/43/86/09/1418438609.db2.gz IEKVVEBKZWPXGR-PMACEKPBSA-N 2 0 347.547 2.977 10 30 EFEERP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCCCCC ZINC001713271294 1418438884 /nfs/dbraw/zinc/43/88/84/1418438884.db2.gz IEKVVEBKZWPXGR-UXHICEINSA-N 2 0 347.547 2.977 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713277406 1418447608 /nfs/dbraw/zinc/44/76/08/1418447608.db2.gz IJWAAKLVFNEEPG-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001713287244 1418455411 /nfs/dbraw/zinc/45/54/11/1418455411.db2.gz VILDGLPMFFPROE-LMDPOFIKSA-N 2 0 345.531 2.681 10 30 EFEERP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001713289444 1418456665 /nfs/dbraw/zinc/45/66/65/1418456665.db2.gz WQKGLCVTNMLDKM-AFMYVXGZSA-N 2 0 345.531 2.824 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001716668091 1418950547 /nfs/dbraw/zinc/95/05/47/1418950547.db2.gz NNSDWZCFYBBKEZ-APWZRJJASA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001716712382 1418968408 /nfs/dbraw/zinc/96/84/08/1418968408.db2.gz IUMLNDOYFPGGMJ-KSZLIROESA-N 2 0 331.504 2.502 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001716730708 1418980140 /nfs/dbraw/zinc/98/01/40/1418980140.db2.gz FUJLILQJNLVYFI-FPOVZHCZSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001716731482 1418981361 /nfs/dbraw/zinc/98/13/61/1418981361.db2.gz MWVJURFTNZOJJS-UYAOXDASSA-N 2 0 345.531 2.894 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(CC)CC)C[C@H]2C)CC1 ZINC001716768804 1418999814 /nfs/dbraw/zinc/99/98/14/1418999814.db2.gz GFRSHBKBJRNLPE-XLIONFOSSA-N 2 0 347.547 2.737 10 30 EFEERP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001716808938 1419022842 /nfs/dbraw/zinc/02/28/42/1419022842.db2.gz NGZCNMIZXYAYGJ-GOSISDBHSA-N 2 0 349.563 2.937 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001716822372 1419031598 /nfs/dbraw/zinc/03/15/98/1419031598.db2.gz KTNJUAHXDPIOSP-RBUKOAKNSA-N 2 0 333.520 2.537 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001716822370 1419031838 /nfs/dbraw/zinc/03/18/38/1419031838.db2.gz KTNJUAHXDPIOSP-MOPGFXCFSA-N 2 0 333.520 2.537 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001716825494 1419033962 /nfs/dbraw/zinc/03/39/62/1419033962.db2.gz ZMEZIRKEEKKDBW-RBUKOAKNSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001716870502 1419066523 /nfs/dbraw/zinc/06/65/23/1419066523.db2.gz BHWDWFIJHBYNBS-OAQYLSRUSA-N 2 0 343.515 2.809 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001716889003 1419076676 /nfs/dbraw/zinc/07/66/76/1419076676.db2.gz SSVUHHPBVYEUEZ-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716896421 1419082698 /nfs/dbraw/zinc/08/26/98/1419082698.db2.gz NEWNKBIPAHEUEG-NRFANRHFSA-N 2 0 347.547 2.883 10 30 EFEERP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001716912594 1419095381 /nfs/dbraw/zinc/09/53/81/1419095381.db2.gz LAESYJFDQGZNEB-MRXNPFEDSA-N 2 0 343.462 2.512 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001716987478 1419126487 /nfs/dbraw/zinc/12/64/87/1419126487.db2.gz KTQZRJHYXIBEDK-MJGOQNOKSA-N 2 0 343.515 2.665 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717089072 1419199358 /nfs/dbraw/zinc/19/93/58/1419199358.db2.gz JDFGXDPMTMHJKD-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001717089073 1419199480 /nfs/dbraw/zinc/19/94/80/1419199480.db2.gz JDFGXDPMTMHJKD-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001717101281 1419208776 /nfs/dbraw/zinc/20/87/76/1419208776.db2.gz IZWXYNOHRDJRKC-SJORKVTESA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110936 1419215906 /nfs/dbraw/zinc/21/59/06/1419215906.db2.gz KIAKVMNENHQISK-IAGOWNOFSA-N 2 0 341.927 2.688 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001717118207 1419221628 /nfs/dbraw/zinc/22/16/28/1419221628.db2.gz OYVKTDSZCJLRKV-SFHVURJKSA-N 2 0 341.499 2.853 10 30 EFEERP C=C(C)C[NH+]1CCc2c(CNC(=O)C[N@@H+](C)C3CCC3)cccc2C1 ZINC001717143164 1419234103 /nfs/dbraw/zinc/23/41/03/1419234103.db2.gz AADWWOBHZOWXSB-UHFFFAOYSA-N 2 0 341.499 2.721 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(CC)CC)CC1 ZINC001717238298 1419281490 /nfs/dbraw/zinc/28/14/90/1419281490.db2.gz PYLKCIZMILTAEA-IBGZPJMESA-N 2 0 347.547 2.881 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001717241514 1419283021 /nfs/dbraw/zinc/28/30/21/1419283021.db2.gz NVGVRWFIGDDUCU-UHFFFAOYSA-N 2 0 329.916 2.832 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001717247442 1419291103 /nfs/dbraw/zinc/29/11/03/1419291103.db2.gz HPURYIIMLMHNEP-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001717270892 1419300199 /nfs/dbraw/zinc/30/01/99/1419300199.db2.gz PCRIMGHCDILTRL-GOSISDBHSA-N 2 0 341.499 2.926 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001717297622 1419313204 /nfs/dbraw/zinc/31/32/04/1419313204.db2.gz BLDMSQDLMMIHNS-ZWKOTPCHSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001717300637 1419314674 /nfs/dbraw/zinc/31/46/74/1419314674.db2.gz NLXXNWGWBQFDPK-IBGZPJMESA-N 2 0 345.531 2.778 10 30 EFEERP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001717309726 1419321392 /nfs/dbraw/zinc/32/13/92/1419321392.db2.gz SAYQZMSWQJCHJO-IBGZPJMESA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001717310906 1419322278 /nfs/dbraw/zinc/32/22/78/1419322278.db2.gz PWKBPMDCKMJRMG-BZSNNMDCSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001717340922 1419341652 /nfs/dbraw/zinc/34/16/52/1419341652.db2.gz JOGHCPVUESXYQY-BJLQDIEVSA-N 2 0 341.499 2.638 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717357632 1419352309 /nfs/dbraw/zinc/35/23/09/1419352309.db2.gz YNLOIWQKCWBAIV-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)CCC=C)CC1 ZINC001717376571 1419367981 /nfs/dbraw/zinc/36/79/81/1419367981.db2.gz UCCICDXJBDEWOD-ICSRJNTNSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001717377285 1419369451 /nfs/dbraw/zinc/36/94/51/1419369451.db2.gz AYTLWYGYBSVYFW-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435748 1419393687 /nfs/dbraw/zinc/39/36/87/1419393687.db2.gz VCBSHYQNFWDOGW-HOTGVXAUSA-N 2 0 349.906 2.516 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435747 1419393843 /nfs/dbraw/zinc/39/38/43/1419393843.db2.gz VCBSHYQNFWDOGW-CVEARBPZSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001717449631 1419398966 /nfs/dbraw/zinc/39/89/66/1419398966.db2.gz IYTNEFPPZORWLI-KKXNLOMOSA-N 2 0 347.547 2.737 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001717514578 1419422522 /nfs/dbraw/zinc/42/25/22/1419422522.db2.gz UGYZVGMRDXIECL-UXHICEINSA-N 2 0 347.547 2.879 10 30 EFEERP C#CC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001717525064 1419427405 /nfs/dbraw/zinc/42/74/05/1419427405.db2.gz BRHKFMHQQHFWGM-UHFFFAOYSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001717529914 1419429446 /nfs/dbraw/zinc/42/94/46/1419429446.db2.gz DOIHMNSRJSCOHB-MRXNPFEDSA-N 2 0 326.444 2.544 10 30 EFEERP C#CCC[NH2+]C[C@H](CCCC)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001717529913 1419429450 /nfs/dbraw/zinc/42/94/50/1419429450.db2.gz DOIHMNSRJSCOHB-INIZCTEOSA-N 2 0 326.444 2.544 10 30 EFEERP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001717537523 1419434233 /nfs/dbraw/zinc/43/42/33/1419434233.db2.gz GLOXTIYQTFTJML-IRXDYDNUSA-N 2 0 327.488 2.603 10 30 EFEERP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001717538954 1419434458 /nfs/dbraw/zinc/43/44/58/1419434458.db2.gz WCNSKUZEGQETCI-SFHVURJKSA-N 2 0 333.520 2.633 10 30 EFEERP C=CCCCCC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001717629657 1419477992 /nfs/dbraw/zinc/47/79/92/1419477992.db2.gz VZSXUHNJLQVSII-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001717629822 1419478476 /nfs/dbraw/zinc/47/84/76/1419478476.db2.gz XOQCUXFTANUTQK-QZTJIDSGSA-N 2 0 333.520 2.607 10 30 EFEERP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](CCC)CCC)C[C@@]2(C)C1 ZINC001717632958 1419480996 /nfs/dbraw/zinc/48/09/96/1419480996.db2.gz XRWPTRVJNLOSRB-OYRHEFFESA-N 2 0 347.547 2.692 10 30 EFEERP C[C@H](CCC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CC[NH+](C)C ZINC001717682744 1419503700 /nfs/dbraw/zinc/50/37/00/1419503700.db2.gz IZHRWDTZWSYVLL-MRXNPFEDSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2=CCCCC2)CC1 ZINC001717695222 1419511509 /nfs/dbraw/zinc/51/15/09/1419511509.db2.gz CUTYZVNTZLPIHE-SFHVURJKSA-N 2 0 345.531 2.707 10 30 EFEERP C=C(C)C[NH2+]CCC[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccccc1 ZINC001717717389 1419524442 /nfs/dbraw/zinc/52/44/42/1419524442.db2.gz WAIXJDLHKGELDT-IBGZPJMESA-N 2 0 341.499 2.886 10 30 EFEERP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001717743391 1419533199 /nfs/dbraw/zinc/53/31/99/1419533199.db2.gz FYUSTRXVJBVPSJ-RLLQIKCJSA-N 2 0 343.515 2.735 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001717821885 1419557448 /nfs/dbraw/zinc/55/74/48/1419557448.db2.gz KTXQOUKNEYRNFV-FXAWDEMLSA-N 2 0 343.515 2.950 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878511 1419598974 /nfs/dbraw/zinc/59/89/74/1419598974.db2.gz XGYROYSYOPVSMO-MSOLQXFVSA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958791 1419629408 /nfs/dbraw/zinc/62/94/08/1419629408.db2.gz ILYCAUBPRSJUHX-IEBWSBKVSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001717962293 1419631185 /nfs/dbraw/zinc/63/11/85/1419631185.db2.gz BRLJRLZJAAKZHA-QGZVFWFLSA-N 2 0 335.536 2.949 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001718034965 1419672729 /nfs/dbraw/zinc/67/27/29/1419672729.db2.gz VDMXHZQXSHGEQP-KRWDZBQOSA-N 2 0 333.451 2.592 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(F)c1 ZINC001718036544 1419674121 /nfs/dbraw/zinc/67/41/21/1419674121.db2.gz QQJLRZAKWUVUEV-LJQANCHMSA-N 2 0 347.478 2.838 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001722956145 1424384984 /nfs/dbraw/zinc/38/49/84/1424384984.db2.gz UDLVRSRNIXJPTK-RTBURBONSA-N 2 0 335.536 2.949 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001722958053 1424387944 /nfs/dbraw/zinc/38/79/44/1424387944.db2.gz UQYYGBRUFOMNSR-VQTJNVASSA-N 2 0 345.531 2.562 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1CC ZINC001723378653 1424479975 /nfs/dbraw/zinc/47/99/75/1424479975.db2.gz QENOTCRHPROKDV-OALUTQOASA-N 2 0 347.547 2.739 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC=C)[C@@H](CC)C2)CC1 ZINC001723386042 1424483121 /nfs/dbraw/zinc/48/31/21/1424483121.db2.gz PSEQZROAVNAVND-AZUAARDMSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001723610582 1424536926 /nfs/dbraw/zinc/53/69/26/1424536926.db2.gz ZWWIRBYPYPBTRE-RBUKOAKNSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001723632670 1424541382 /nfs/dbraw/zinc/54/13/82/1424541382.db2.gz LBRUSCVSMUBNJB-FGTMMUONSA-N 2 0 339.499 2.698 10 30 EFEERP C#CCC[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CCCCCC1 ZINC001723640989 1424544962 /nfs/dbraw/zinc/54/49/62/1424544962.db2.gz PJDPXAURTTXSAQ-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678922 1424554762 /nfs/dbraw/zinc/55/47/62/1424554762.db2.gz GKKNCHKEGLXOOV-UYAOXDASSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723678920 1424555260 /nfs/dbraw/zinc/55/52/60/1424555260.db2.gz GKKNCHKEGLXOOV-ICSRJNTNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001723680298 1424556377 /nfs/dbraw/zinc/55/63/77/1424556377.db2.gz NWRWWQQIQXHXCA-LJQANCHMSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001723722926 1424569928 /nfs/dbraw/zinc/56/99/28/1424569928.db2.gz YUQSCJXUJRTSHG-FQEVSTJZSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001723742049 1424572275 /nfs/dbraw/zinc/57/22/75/1424572275.db2.gz IVENBOQIYAKOOZ-NRFANRHFSA-N 2 0 345.531 2.589 10 30 EFEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001724059520 1424640537 /nfs/dbraw/zinc/64/05/37/1424640537.db2.gz AEPRTILQARIYBX-GOSISDBHSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724094273 1424654137 /nfs/dbraw/zinc/65/41/37/1424654137.db2.gz HITWNZIGBLOPGQ-WOJBJXKFSA-N 2 0 345.531 2.681 10 30 EFEERP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001724258324 1424714890 /nfs/dbraw/zinc/71/48/90/1424714890.db2.gz HBJVWEBKVLOZGK-FQEVSTJZSA-N 2 0 333.520 2.513 10 30 EFEERP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001724271297 1424718797 /nfs/dbraw/zinc/71/87/97/1424718797.db2.gz AMFTVCNDAKVUAJ-SFHVURJKSA-N 2 0 341.927 2.833 10 30 EFEERP C=CCC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001724303063 1424725972 /nfs/dbraw/zinc/72/59/72/1424725972.db2.gz SCAYGZLMUAMTAN-UHFFFAOYSA-N 2 0 347.547 2.903 10 30 EFEERP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001724322388 1424732370 /nfs/dbraw/zinc/73/23/70/1424732370.db2.gz CJKGPNNLDYTQQC-IBGZPJMESA-N 2 0 347.528 2.665 10 30 EFEERP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001724332263 1424738667 /nfs/dbraw/zinc/73/86/67/1424738667.db2.gz ZWLZIIIHPFMKFI-AZUAARDMSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724381159 1424753131 /nfs/dbraw/zinc/75/31/31/1424753131.db2.gz GXXNFRPMHKIKPG-INIZCTEOSA-N 2 0 343.462 2.512 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1CC ZINC001724511104 1424775639 /nfs/dbraw/zinc/77/56/39/1424775639.db2.gz FWDXKBXQXQMZJP-IEBWSBKVSA-N 2 0 329.488 2.524 10 30 EFEERP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001724547226 1424790439 /nfs/dbraw/zinc/79/04/39/1424790439.db2.gz GWXXYBFGGYJMSC-FXAWDEMLSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001724607094 1424825418 /nfs/dbraw/zinc/82/54/18/1424825418.db2.gz NMZAPPFZPHCHKP-GUDVDZBRSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001724654050 1424885624 /nfs/dbraw/zinc/88/56/24/1424885624.db2.gz SDBACVGEEHXAAJ-GUDVDZBRSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001724654060 1424885958 /nfs/dbraw/zinc/88/59/58/1424885958.db2.gz SDBACVGEEHXAAJ-OTWHNJEPSA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001724655224 1424888024 /nfs/dbraw/zinc/88/80/24/1424888024.db2.gz CRCPWMBPLXNNRB-OKZBNKHCSA-N 2 0 339.499 2.555 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001724655226 1424888368 /nfs/dbraw/zinc/88/83/68/1424888368.db2.gz CRCPWMBPLXNNRB-RCCFBDPRSA-N 2 0 339.499 2.555 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724654814 1424888470 /nfs/dbraw/zinc/88/84/70/1424888470.db2.gz JVJTUWJLVHVEAU-ZWKOTPCHSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001724659503 1424900156 /nfs/dbraw/zinc/90/01/56/1424900156.db2.gz VNSORSZHMJGIGK-WOJBJXKFSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001724730875 1424952630 /nfs/dbraw/zinc/95/26/30/1424952630.db2.gz VCOCQQFLOVQASS-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001724730886 1424952753 /nfs/dbraw/zinc/95/27/53/1424952753.db2.gz VCOCQQFLOVQASS-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001724747353 1424976784 /nfs/dbraw/zinc/97/67/84/1424976784.db2.gz PAJMTWCWUJGAJT-MRXNPFEDSA-N 2 0 327.472 2.625 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001724749621 1424978691 /nfs/dbraw/zinc/97/86/91/1424978691.db2.gz OXBDMPVJFFTRFY-KRWDZBQOSA-N 2 0 341.499 2.851 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001724749570 1424979181 /nfs/dbraw/zinc/97/91/81/1424979181.db2.gz NONWXFFOKOQEEG-YLJYHZDGSA-N 2 0 341.499 2.850 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724752205 1424981589 /nfs/dbraw/zinc/98/15/89/1424981589.db2.gz PXVOLRYDESFZIG-NCXUSEDFSA-N 2 0 333.520 2.844 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724754380 1424985084 /nfs/dbraw/zinc/98/50/84/1424985084.db2.gz JRWIEYUCNPCDBD-NCXUSEDFSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCc2c(CNC(=O)C[N@@H+](C)C(C)C)cccc2C1 ZINC001724776667 1425004829 /nfs/dbraw/zinc/00/48/29/1425004829.db2.gz LRKXDDGQIPVHLF-UHFFFAOYSA-N 2 0 343.515 2.967 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001724957657 1425166048 /nfs/dbraw/zinc/16/60/48/1425166048.db2.gz XJHCJRGMBYOTMD-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC(C)C)[C@@H](C)C2)CC1 ZINC001725000083 1425214051 /nfs/dbraw/zinc/21/40/51/1425214051.db2.gz FZNAXQLTPMOBNX-ICSRJNTNSA-N 2 0 347.547 2.737 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725026305 1425236692 /nfs/dbraw/zinc/23/66/92/1425236692.db2.gz KVRXZVBLZCMPTP-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001725025632 1425236938 /nfs/dbraw/zinc/23/69/38/1425236938.db2.gz HZQOGSOXJZSKNR-HDICACEKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725059001 1425270561 /nfs/dbraw/zinc/27/05/61/1425270561.db2.gz NEAZZRVBCOHGAZ-RBUKOAKNSA-N 2 0 347.547 2.855 10 30 EFEERP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001725211008 1425380109 /nfs/dbraw/zinc/38/01/09/1425380109.db2.gz AQRHUTOILCDKQW-RBUKOAKNSA-N 2 0 335.536 2.735 10 30 EFEERP C#CCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001725221667 1425388644 /nfs/dbraw/zinc/38/86/44/1425388644.db2.gz CJECXSIERDBWAI-UHFFFAOYSA-N 2 0 338.455 2.688 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725331582 1425473930 /nfs/dbraw/zinc/47/39/30/1425473930.db2.gz CCFDNQGEMCSYPG-IPMKNSEASA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725331585 1425474093 /nfs/dbraw/zinc/47/40/93/1425474093.db2.gz CCFDNQGEMCSYPG-OTWHNJEPSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001725345336 1425492714 /nfs/dbraw/zinc/49/27/14/1425492714.db2.gz VPXCGICLTQJMQZ-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001725344400 1425493059 /nfs/dbraw/zinc/49/30/59/1425493059.db2.gz GQOSEQTZOJRJDW-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@]2(C)C1 ZINC001725347040 1425495607 /nfs/dbraw/zinc/49/56/07/1425495607.db2.gz YFTHUCFCIXGRLN-BGYRXZFFSA-N 2 0 347.547 2.855 10 30 EFEERP C#CCC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001725428044 1425575296 /nfs/dbraw/zinc/57/52/96/1425575296.db2.gz KGNHOKUJEZJOMO-UHFFFAOYSA-N 2 0 345.487 2.681 10 30 EFEERP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725454798 1425592349 /nfs/dbraw/zinc/59/23/49/1425592349.db2.gz QZJVWAQIRPATNJ-PKOBYXMFSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001725472700 1425604923 /nfs/dbraw/zinc/60/49/23/1425604923.db2.gz OFYBOJAEKRUJLP-IBGZPJMESA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001725651544 1425753810 /nfs/dbraw/zinc/75/38/10/1425753810.db2.gz MIBMRBUYJMSHBX-HKUYNNGSSA-N 2 0 343.515 2.855 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001725651547 1425753814 /nfs/dbraw/zinc/75/38/14/1425753814.db2.gz MIBMRBUYJMSHBX-PKOBYXMFSA-N 2 0 343.515 2.855 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C(C)(C)C ZINC001725753514 1425820009 /nfs/dbraw/zinc/82/00/09/1425820009.db2.gz ZKFDGYYTJYOCTF-IBGZPJMESA-N 2 0 343.515 2.548 10 30 EFEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC001725794797 1425857697 /nfs/dbraw/zinc/85/76/97/1425857697.db2.gz RUANMFWOALYKHP-UHFFFAOYSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001725820215 1425880342 /nfs/dbraw/zinc/88/03/42/1425880342.db2.gz TWRYTHZEPNYNTM-YTQUADARSA-N 2 0 333.520 2.820 10 30 EFEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001725823044 1425881259 /nfs/dbraw/zinc/88/12/59/1425881259.db2.gz RMZNNQHRNFCQDP-IBGZPJMESA-N 2 0 333.520 2.823 10 30 EFEERP C=CC[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001725828762 1425895058 /nfs/dbraw/zinc/89/50/58/1425895058.db2.gz OICYNPSNTHXMNQ-IBGZPJMESA-N 2 0 327.472 2.614 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000891520806 714799948 /nfs/dbraw/zinc/79/99/48/714799948.db2.gz QJMRCFHXSPTDBE-SFHVURJKSA-N 2 0 348.535 2.639 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)C(C)C ZINC000891940478 715166141 /nfs/dbraw/zinc/16/61/41/715166141.db2.gz PLLDBUUAYWZBNG-GUDVDZBRSA-N 2 0 348.535 2.563 10 30 EFEERP COc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CCCCC2)cc1OC ZINC000104168539 715254471 /nfs/dbraw/zinc/25/44/71/715254471.db2.gz PMFHCVSGTBGPRS-UHFFFAOYSA-N 2 0 334.464 2.695 10 30 EFEERP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303987227 724442092 /nfs/dbraw/zinc/44/20/92/724442092.db2.gz VFKNEBCDRMBCBN-QGZVFWFLSA-N 2 0 332.492 2.649 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000907502290 726955230 /nfs/dbraw/zinc/95/52/30/726955230.db2.gz IPHCOMYWIHHXSE-LJQANCHMSA-N 2 0 329.488 2.521 10 30 EFEERP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C(C)(C)C1 ZINC000941244964 727922108 /nfs/dbraw/zinc/92/21/08/727922108.db2.gz RBSZAPXNHVHPLS-SFHVURJKSA-N 2 0 345.487 2.585 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757132 728238773 /nfs/dbraw/zinc/23/87/73/728238773.db2.gz SLKJUKQGKHRSOV-RCCFBDPRSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940859145 728297185 /nfs/dbraw/zinc/29/71/85/728297185.db2.gz RYAALPCRDBOGBX-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940859146 728297332 /nfs/dbraw/zinc/29/73/32/728297332.db2.gz RYAALPCRDBOGBX-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940971721 728344238 /nfs/dbraw/zinc/34/42/38/728344238.db2.gz ARJYTGHRDJKTSW-RTBURBONSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972643 728344914 /nfs/dbraw/zinc/34/49/14/728344914.db2.gz OQAUBCKVWZHLPL-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP N#Cc1ccc(C[NH+]2CCC3(C[N@H+](C4CCC4)C[C@H]3CO)CC2)cc1 ZINC000169782436 728404879 /nfs/dbraw/zinc/40/48/79/728404879.db2.gz FMKRICRVFGZMND-IBGZPJMESA-N 2 0 339.483 2.617 10 30 EFEERP C=C(C)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000939835302 729148696 /nfs/dbraw/zinc/14/86/96/729148696.db2.gz DNAIFCIVOQFWNQ-RDJZCZTQSA-N 2 0 333.476 2.748 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001569435115 1085208633 /nfs/dbraw/zinc/20/86/33/1085208633.db2.gz ZLDVSQWXWAMHEL-WOJBJXKFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001569448892 1085229353 /nfs/dbraw/zinc/22/93/53/1085229353.db2.gz LSHTXWSRXPCUIR-MOPGFXCFSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001569451966 1085236714 /nfs/dbraw/zinc/23/67/14/1085236714.db2.gz MWWQHELSKZKKEC-UHFFFAOYSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001569451972 1085237218 /nfs/dbraw/zinc/23/72/18/1085237218.db2.gz JWRPPKKKRFGCIR-VQIMIIECSA-N 2 0 333.520 2.606 10 30 EFEERP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001569452503 1085238168 /nfs/dbraw/zinc/23/81/68/1085238168.db2.gz YBWCSNAZOBYXEO-UHFFFAOYSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001569466629 1085260481 /nfs/dbraw/zinc/26/04/81/1085260481.db2.gz DESMWCIOQNZUHX-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001569544024 1085360725 /nfs/dbraw/zinc/36/07/25/1085360725.db2.gz FCMOLNWDVSWKTH-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001569593135 1085415427 /nfs/dbraw/zinc/41/54/27/1085415427.db2.gz NUYPXTGHESTAHH-GOSISDBHSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCCCCC)CC1 ZINC001569596127 1085419730 /nfs/dbraw/zinc/41/97/30/1085419730.db2.gz NVBSKKMPJAMMQU-UHFFFAOYSA-N 2 0 333.520 2.589 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001569606897 1085432892 /nfs/dbraw/zinc/43/28/92/1085432892.db2.gz UMXMSBDFLIHUMZ-LJQANCHMSA-N 2 0 347.547 2.927 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C1CCCC1 ZINC001569612385 1085437325 /nfs/dbraw/zinc/43/73/25/1085437325.db2.gz BZFPLQIWNCBGSY-WOJBJXKFSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC001569612573 1085437401 /nfs/dbraw/zinc/43/74/01/1085437401.db2.gz HGSYISMCDGBDHT-HXUWFJFHSA-N 2 0 347.547 2.949 10 30 EFEERP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001569704185 1085532873 /nfs/dbraw/zinc/53/28/73/1085532873.db2.gz FTAULBDTUCWYSZ-LJQANCHMSA-N 2 0 345.531 2.635 10 30 EFEERP C=CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001569705010 1085534796 /nfs/dbraw/zinc/53/47/96/1085534796.db2.gz HWKSLDZDZXKNFR-UHFFFAOYSA-N 2 0 343.515 2.565 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001569705884 1085534976 /nfs/dbraw/zinc/53/49/76/1085534976.db2.gz ZKXAWBVBUWRINB-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001569706395 1085536224 /nfs/dbraw/zinc/53/62/24/1085536224.db2.gz JQKOLCDNSHRKRJ-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001569725946 1085563455 /nfs/dbraw/zinc/56/34/55/1085563455.db2.gz KCYDHTZAUKJZMV-UYAOXDASSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001569799516 1085615476 /nfs/dbraw/zinc/61/54/76/1085615476.db2.gz GDCIEFOSKVICQL-VQTJNVASSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001569800021 1085617461 /nfs/dbraw/zinc/61/74/61/1085617461.db2.gz MBDZITXFVNISDW-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001569813917 1085632319 /nfs/dbraw/zinc/63/23/19/1085632319.db2.gz OCLNTIHCSPSHNO-GDBMZVCRSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001569813810 1085632420 /nfs/dbraw/zinc/63/24/20/1085632420.db2.gz MWWZGKNQCCAJFV-QZTJIDSGSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569826382 1085647778 /nfs/dbraw/zinc/64/77/78/1085647778.db2.gz QYFYSSMQUOANNQ-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001569858138 1085681756 /nfs/dbraw/zinc/68/17/56/1085681756.db2.gz GEXNCZXOHROBLA-FQBWVUSXSA-N 2 0 333.520 2.795 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001569869543 1085698221 /nfs/dbraw/zinc/69/82/21/1085698221.db2.gz WTTYMKAVGIBWMW-LJQANCHMSA-N 2 0 329.488 2.664 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001569879348 1085712053 /nfs/dbraw/zinc/71/20/53/1085712053.db2.gz XEJFNYHBQJSVPA-HDICACEKSA-N 2 0 335.536 2.689 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001569921867 1085772658 /nfs/dbraw/zinc/77/26/58/1085772658.db2.gz UPGHCFSYOAEDJW-HSALFYBXSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001569998844 1085841366 /nfs/dbraw/zinc/84/13/66/1085841366.db2.gz VEMQTJYKJUDVSL-QUCCMNQESA-N 2 0 345.531 2.635 10 30 EFEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001570027014 1085876786 /nfs/dbraw/zinc/87/67/86/1085876786.db2.gz RRBABOFTWIAOJQ-UHFFFAOYSA-N 2 0 346.434 2.638 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001570043569 1085897688 /nfs/dbraw/zinc/89/76/88/1085897688.db2.gz XLVUMHXVAIRWSR-BJLQDIEVSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001570056838 1085911551 /nfs/dbraw/zinc/91/15/51/1085911551.db2.gz CEKRNMGGIDLOFR-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001570220452 1086062080 /nfs/dbraw/zinc/06/20/80/1086062080.db2.gz RVVZAKSCMVDOEP-RBUKOAKNSA-N 2 0 347.547 2.548 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001570220920 1086062231 /nfs/dbraw/zinc/06/22/31/1086062231.db2.gz YETZARFGXYBJTH-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001570269568 1086103914 /nfs/dbraw/zinc/10/39/14/1086103914.db2.gz XWJCIDWMZWYLFK-HXUWFJFHSA-N 2 0 343.515 2.838 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001570274589 1086115996 /nfs/dbraw/zinc/11/59/96/1086115996.db2.gz HBPUSJSPNYJEON-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001570373899 1086177923 /nfs/dbraw/zinc/17/79/23/1086177923.db2.gz DMHUDLVWWLZHTG-UHFFFAOYSA-N 2 0 335.517 2.970 10 30 EFEERP C=C(C)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001570384646 1086185771 /nfs/dbraw/zinc/18/57/71/1086185771.db2.gz ORXBEMVHDZBJDZ-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001570476436 1086264531 /nfs/dbraw/zinc/26/45/31/1086264531.db2.gz CGMGXSUKDFITDX-PMACEKPBSA-N 2 0 341.499 2.762 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570477804 1086268246 /nfs/dbraw/zinc/26/82/46/1086268246.db2.gz ACVJRKBTXYRJMZ-LJQANCHMSA-N 2 0 341.499 2.620 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001570542774 1086337119 /nfs/dbraw/zinc/33/71/19/1086337119.db2.gz XKFYCGDIRQGKAP-PKOBYXMFSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001570542773 1086337572 /nfs/dbraw/zinc/33/75/72/1086337572.db2.gz XKFYCGDIRQGKAP-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001570544576 1086341723 /nfs/dbraw/zinc/34/17/23/1086341723.db2.gz ZCPVQMNKIMGJPB-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)C1 ZINC001570553058 1086359027 /nfs/dbraw/zinc/35/90/27/1086359027.db2.gz BQRNBCKHSPAGCA-LJQANCHMSA-N 2 0 347.547 2.548 10 30 EFEERP CC#CC[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001570666264 1086448374 /nfs/dbraw/zinc/44/83/74/1086448374.db2.gz VQDKKSOIRWATFA-UHFFFAOYSA-N 2 0 341.499 2.744 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001570804640 1086528916 /nfs/dbraw/zinc/52/89/16/1086528916.db2.gz QRDVIYNSKLRWFD-UHFFFAOYSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001570859769 1086574271 /nfs/dbraw/zinc/57/42/71/1086574271.db2.gz FEZWUOLIZSNGNX-QFBILLFUSA-N 2 0 329.488 2.692 10 30 EFEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001571336637 1086735902 /nfs/dbraw/zinc/73/59/02/1086735902.db2.gz DCVIJGWQMYKKDH-FQEVSTJZSA-N 2 0 341.499 2.501 10 30 EFEERP CC#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001571346931 1086745784 /nfs/dbraw/zinc/74/57/84/1086745784.db2.gz IBSHABCMTDFXMX-RLLQIKCJSA-N 2 0 341.499 2.577 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001571350223 1086748667 /nfs/dbraw/zinc/74/86/67/1086748667.db2.gz WHXURJUDERSIMR-GOSISDBHSA-N 2 0 328.460 2.953 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001571371092 1086765384 /nfs/dbraw/zinc/76/53/84/1086765384.db2.gz JDSNPGNJNCNFHC-LJQANCHMSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001571487386 1086874483 /nfs/dbraw/zinc/87/44/83/1086874483.db2.gz RCAQNYVLAFVXKS-FXAWDEMLSA-N 2 0 343.515 2.950 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001571508807 1086914573 /nfs/dbraw/zinc/91/45/73/1086914573.db2.gz JSJNHWUXRJREMO-IPMKNSEASA-N 2 0 345.531 2.798 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001571508770 1086914715 /nfs/dbraw/zinc/91/47/15/1086914715.db2.gz JMITZNMWZLEGKS-OKZBNKHCSA-N 2 0 333.520 2.654 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC001571629797 1087000255 /nfs/dbraw/zinc/00/02/55/1087000255.db2.gz SBBCQTLFNGGLKU-GOSISDBHSA-N 2 0 335.536 2.785 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001571635690 1087007433 /nfs/dbraw/zinc/00/74/33/1087007433.db2.gz KNNUDEVMMHTRRA-SFHVURJKSA-N 2 0 335.536 2.805 10 30 EFEERP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001571669497 1087033976 /nfs/dbraw/zinc/03/39/76/1087033976.db2.gz DBHHJUMSLHWIPH-GOSISDBHSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)c(F)c1 ZINC001571704260 1087078586 /nfs/dbraw/zinc/07/85/86/1087078586.db2.gz MXWFIXKZXGTWCL-LJQANCHMSA-N 2 0 347.478 2.982 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267050252 1092463639 /nfs/dbraw/zinc/46/36/39/1092463639.db2.gz OHAGCBGSXLWVDL-SFHVURJKSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC)CC1 ZINC001649459626 1092493396 /nfs/dbraw/zinc/49/33/96/1092493396.db2.gz AHLPEHZLWJTCMC-KDURUIRLSA-N 2 0 333.520 2.892 10 30 EFEERP C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001649461654 1092495828 /nfs/dbraw/zinc/49/58/28/1092495828.db2.gz GAKUSUINRQZLFS-PMACEKPBSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267061292 1092506165 /nfs/dbraw/zinc/50/61/65/1092506165.db2.gz NNGQCFWDOBAEJO-GOSISDBHSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001267089751 1092638869 /nfs/dbraw/zinc/63/88/69/1092638869.db2.gz STEIVMLOTOMYFZ-UXHICEINSA-N 2 0 343.515 2.997 10 30 EFEERP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267104883 1092736821 /nfs/dbraw/zinc/73/68/21/1092736821.db2.gz VTIHDCOLJYCWEY-RTBURBONSA-N 2 0 333.520 2.892 10 30 EFEERP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001267116626 1092799289 /nfs/dbraw/zinc/79/92/89/1092799289.db2.gz JRNQSZGZCRCFJS-KRWDZBQOSA-N 2 0 345.487 2.681 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222457 1093255302 /nfs/dbraw/zinc/25/53/02/1093255302.db2.gz NLGVPENFQUUSMK-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267278796 1093458923 /nfs/dbraw/zinc/45/89/23/1093458923.db2.gz QRLYIXVNRBZOLV-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC)c1ccc(C(C)C)cc1 ZINC001267346845 1093634180 /nfs/dbraw/zinc/63/41/80/1093634180.db2.gz XHHRQMGODGCSEV-PMACEKPBSA-N 2 0 341.499 2.674 10 30 EFEERP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001267346123 1093635083 /nfs/dbraw/zinc/63/50/83/1093635083.db2.gz LJOOZUJMXZIAEE-VQTJNVASSA-N 2 0 341.499 2.674 10 30 EFEERP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001267603314 1094337024 /nfs/dbraw/zinc/33/70/24/1094337024.db2.gz PBGHYFOPGLMUCA-HKUYNNGSSA-N 2 0 335.536 2.853 10 30 EFEERP CC#CC[NH2+][C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001267381686 1094411128 /nfs/dbraw/zinc/41/11/28/1094411128.db2.gz GBWJWMLBNNSBJQ-OAQYLSRUSA-N 2 0 349.478 2.832 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267604190 1094417768 /nfs/dbraw/zinc/41/77/68/1094417768.db2.gz OYBHXQMSBDTWFW-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001481094262 1094450381 /nfs/dbraw/zinc/45/03/81/1094450381.db2.gz QXCZHTHHGPFRPK-IAGOWNOFSA-N 2 0 344.503 2.555 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481100422 1094502322 /nfs/dbraw/zinc/50/23/22/1094502322.db2.gz PTOPMJQESXKEHR-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267460316 1094575748 /nfs/dbraw/zinc/57/57/48/1094575748.db2.gz UTIJEXTVZGGKHS-GBESFXJTSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481111638 1094605465 /nfs/dbraw/zinc/60/54/65/1094605465.db2.gz IZNYMYBZYBBJSL-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481111639 1094606708 /nfs/dbraw/zinc/60/67/08/1094606708.db2.gz IZNYMYBZYBBJSL-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481494203 1094929152 /nfs/dbraw/zinc/92/91/52/1094929152.db2.gz OAEQKAJZLPSWIO-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001267495999 1094982462 /nfs/dbraw/zinc/98/24/62/1094982462.db2.gz JVYWVYYOKOYIGO-UYAOXDASSA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001481519766 1095084285 /nfs/dbraw/zinc/08/42/85/1095084285.db2.gz QNMXGMYIPTUJCI-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001481530437 1095143782 /nfs/dbraw/zinc/14/37/82/1095143782.db2.gz WPTIQEGIMMGYCJ-AZUAARDMSA-N 2 0 347.547 2.594 10 30 EFEERP CC#CCN[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267522452 1095243597 /nfs/dbraw/zinc/24/35/97/1095243597.db2.gz GRANKSAMIKSPRU-VQTJNVASSA-N 2 0 341.499 2.720 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCCC1 ZINC001268121347 1095409096 /nfs/dbraw/zinc/40/90/96/1095409096.db2.gz RUTVSYADIVTEQN-QGZVFWFLSA-N 2 0 347.528 2.711 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267547481 1095457896 /nfs/dbraw/zinc/45/78/96/1095457896.db2.gz YDXFPXGVCOZXFF-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267571522 1095695200 /nfs/dbraw/zinc/69/52/00/1095695200.db2.gz NCOGAAZANSUUPI-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267589103 1096016330 /nfs/dbraw/zinc/01/63/30/1096016330.db2.gz LIVJALCADDSLFM-MOPGFXCFSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001268201112 1096092037 /nfs/dbraw/zinc/09/20/37/1096092037.db2.gz GTEQQDDDRITINI-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268287508 1096262770 /nfs/dbraw/zinc/26/27/70/1096262770.db2.gz HAZSYKOUNURFKW-PMACEKPBSA-N 2 0 347.547 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268293491 1096280056 /nfs/dbraw/zinc/28/00/56/1096280056.db2.gz CXQPCRIIOPBSJA-OALUTQOASA-N 2 0 329.488 2.812 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001481740384 1096481182 /nfs/dbraw/zinc/48/11/82/1096481182.db2.gz BGQMYNJBUMMGKL-APWZRJJASA-N 2 0 339.499 2.698 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481741354 1096484898 /nfs/dbraw/zinc/48/48/98/1096484898.db2.gz KSMPCRAZZKUKIB-FQEVSTJZSA-N 2 0 343.515 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC/C=C/CC)CCCC2)CC1 ZINC001481913233 1096915397 /nfs/dbraw/zinc/91/53/97/1096915397.db2.gz QUBXFEPCSNKRJH-AATRIKPKSA-N 2 0 345.531 2.707 10 30 EFEERP C#CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCC[C@@H]1C ZINC001481963260 1097004288 /nfs/dbraw/zinc/00/42/88/1097004288.db2.gz UXVKHQRVCUVHLJ-GHTZIAJQSA-N 2 0 347.547 2.929 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001482005840 1097070088 /nfs/dbraw/zinc/07/00/88/1097070088.db2.gz BPAXMXSBXNMFTF-UHFFFAOYSA-N 2 0 341.499 2.603 10 30 EFEERP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001482018328 1097092258 /nfs/dbraw/zinc/09/22/58/1097092258.db2.gz GQUUBWPBMAEDQP-WKILWMFISA-N 2 0 326.444 2.849 10 30 EFEERP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001482050062 1097176953 /nfs/dbraw/zinc/17/69/53/1097176953.db2.gz QISOQUWSIRJHER-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482051761 1097184350 /nfs/dbraw/zinc/18/43/50/1097184350.db2.gz NNQQTKCIRVDECY-IBGZPJMESA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001482071267 1097231301 /nfs/dbraw/zinc/23/13/01/1097231301.db2.gz DGXKALCCYXWEFY-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001268944354 1097736789 /nfs/dbraw/zinc/73/67/89/1097736789.db2.gz TYEUMLGRQDKPDQ-IHPCNDPISA-N 2 0 345.531 2.892 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001269083701 1097839694 /nfs/dbraw/zinc/83/96/94/1097839694.db2.gz KCMKSAIPTXJOMM-RBUKOAKNSA-N 2 0 329.488 2.836 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1CC ZINC001269170341 1097916164 /nfs/dbraw/zinc/91/61/64/1097916164.db2.gz YXAMPJIGSNDTKP-HKUYNNGSSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269339575 1098070163 /nfs/dbraw/zinc/07/01/63/1098070163.db2.gz NQXOKUONJJCOGQ-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001482222277 1098161661 /nfs/dbraw/zinc/16/16/61/1098161661.db2.gz JZBAGXZNQBSBDF-ZWKOTPCHSA-N 2 0 333.520 2.988 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269555758 1098244643 /nfs/dbraw/zinc/24/46/43/1098244643.db2.gz HELBXMFPBCHZIS-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001269634043 1098311777 /nfs/dbraw/zinc/31/17/77/1098311777.db2.gz JLFIQEHCKBQDRQ-OALUTQOASA-N 2 0 339.499 2.650 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001482235501 1098316105 /nfs/dbraw/zinc/31/61/05/1098316105.db2.gz IDJDITFJTNYDAD-HZPDHXFCSA-N 2 0 341.927 2.878 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@]2(C[NH2+]CCC=C)CCCC[C@H]2C)CC1 ZINC001269675953 1098348777 /nfs/dbraw/zinc/34/87/77/1098348777.db2.gz DNAMJPOOPMEQHW-NQIIRXRSSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001269700460 1098379606 /nfs/dbraw/zinc/37/96/06/1098379606.db2.gz YESUHHGDKCSAGZ-QUCCMNQESA-N 2 0 345.531 2.751 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001269708706 1098386259 /nfs/dbraw/zinc/38/62/59/1098386259.db2.gz IAUUDBMBOJVXOG-IPMKNSEASA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001482246066 1098476269 /nfs/dbraw/zinc/47/62/69/1098476269.db2.gz CGFHQWMEOMVTPV-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC001269988983 1098571690 /nfs/dbraw/zinc/57/16/90/1098571690.db2.gz KNRGDSMHYPYSOC-SJORKVTESA-N 2 0 345.487 2.727 10 30 EFEERP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001270065297 1098653440 /nfs/dbraw/zinc/65/34/40/1098653440.db2.gz KTGJMONONPHDIC-FQEVSTJZSA-N 2 0 341.499 2.536 10 30 EFEERP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001270075603 1098664380 /nfs/dbraw/zinc/66/43/80/1098664380.db2.gz HWIWQABPPPWFEZ-WOJBJXKFSA-N 2 0 341.499 2.985 10 30 EFEERP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001270082345 1098673324 /nfs/dbraw/zinc/67/33/24/1098673324.db2.gz UREHKNKVEGPMFJ-QGZVFWFLSA-N 2 0 341.499 2.843 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001267930561 1098721567 /nfs/dbraw/zinc/72/15/67/1098721567.db2.gz JMIFYESNOSMXDI-VJANTYMQSA-N 2 0 333.520 2.987 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001267930559 1098721825 /nfs/dbraw/zinc/72/18/25/1098721825.db2.gz JMIFYESNOSMXDI-MKXGPGLRSA-N 2 0 333.520 2.987 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001267940110 1098758598 /nfs/dbraw/zinc/75/85/98/1098758598.db2.gz DESSGPAWNRCCDW-IAGOWNOFSA-N 2 0 329.488 2.841 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001267938815 1098759670 /nfs/dbraw/zinc/75/96/70/1098759670.db2.gz LMKALFWVKUBBRY-KRWDZBQOSA-N 2 0 329.488 2.700 10 30 EFEERP C#CC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001267948296 1098807206 /nfs/dbraw/zinc/80/72/06/1098807206.db2.gz YETZPCMUDPDRBQ-FQEVSTJZSA-N 2 0 341.499 2.531 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267957747 1098894726 /nfs/dbraw/zinc/89/47/26/1098894726.db2.gz LFPDUTLFMUASNM-MOPGFXCFSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267958168 1098896658 /nfs/dbraw/zinc/89/66/58/1098896658.db2.gz UMDXRQAZCBSIMF-MOPGFXCFSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CCC(=C)C)CC1 ZINC001270315069 1098948786 /nfs/dbraw/zinc/94/87/86/1098948786.db2.gz FOFGDRZWCZKEHW-VQTJNVASSA-N 2 0 345.531 2.609 10 30 EFEERP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001267975411 1099043661 /nfs/dbraw/zinc/04/36/61/1099043661.db2.gz XEOLXMFUYGRFOU-UHFFFAOYSA-N 2 0 345.531 2.590 10 30 EFEERP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001270411833 1099068672 /nfs/dbraw/zinc/06/86/72/1099068672.db2.gz CQKNBJXPVNNHBH-RBUKOAKNSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001270439876 1099093353 /nfs/dbraw/zinc/09/33/53/1099093353.db2.gz BZAFEFUXJSCVMM-IEBWSBKVSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001481340699 1099375302 /nfs/dbraw/zinc/37/53/02/1099375302.db2.gz TZCDQEKFQJRKKU-HOTGVXAUSA-N 2 0 332.492 2.771 10 30 EFEERP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481349825 1099410790 /nfs/dbraw/zinc/41/07/90/1099410790.db2.gz BSRVWPLPCNJPCY-SJORKVTESA-N 2 0 341.927 2.973 10 30 EFEERP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001267820294 1099427960 /nfs/dbraw/zinc/42/79/60/1099427960.db2.gz PESIICRKEGHGEC-ROUUACIJSA-N 2 0 349.906 2.516 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1 ZINC001481370893 1099503740 /nfs/dbraw/zinc/50/37/40/1099503740.db2.gz NTJXEEABGKPWPM-RTBURBONSA-N 2 0 329.488 2.882 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001270752092 1099528678 /nfs/dbraw/zinc/52/86/78/1099528678.db2.gz IGGJBKULHMZYDS-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267857281 1099671001 /nfs/dbraw/zinc/67/10/01/1099671001.db2.gz XIDLBROYLNGEQN-IBGZPJMESA-N 2 0 326.444 2.707 10 30 EFEERP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001270879024 1099989275 /nfs/dbraw/zinc/98/92/75/1099989275.db2.gz ICBMJKTWBXCJMH-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482396440 1100014853 /nfs/dbraw/zinc/01/48/53/1100014853.db2.gz UABSPUJOAJRHIX-IBGZPJMESA-N 2 0 329.488 2.506 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001629184177 1100177731 /nfs/dbraw/zinc/17/77/31/1100177731.db2.gz AXRJCVCVSICHPX-OAQYLSRUSA-N 2 0 341.499 2.619 10 30 EFEERP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270999514 1100351355 /nfs/dbraw/zinc/35/13/55/1100351355.db2.gz QCIBFPMQKRAELE-OAQYLSRUSA-N 2 0 341.499 2.603 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)C(C)C ZINC001632735226 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ZINC001482664178 1104772016 /nfs/dbraw/zinc/77/20/16/1104772016.db2.gz SQUWBSRSAULPTD-MSOLQXFVSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001482664180 1104772334 /nfs/dbraw/zinc/77/23/34/1104772334.db2.gz SQUWBSRSAULPTD-ROUUACIJSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001665844391 1104793471 /nfs/dbraw/zinc/79/34/71/1104793471.db2.gz JANKTNMKKFZKSD-QAPCUYQASA-N 2 0 327.488 2.650 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001666124553 1104874653 /nfs/dbraw/zinc/87/46/53/1104874653.db2.gz BKXUBRYVFMGCGX-GOSISDBHSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001482680159 1104891517 /nfs/dbraw/zinc/89/15/17/1104891517.db2.gz VSKWOAWUUGCIFD-GOEBONIOSA-N 2 0 335.517 2.874 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CCCC=C)C2)CC1 ZINC001666173767 1104893583 /nfs/dbraw/zinc/89/35/83/1104893583.db2.gz 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C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001667420810 1105145380 /nfs/dbraw/zinc/14/53/80/1105145380.db2.gz DZGAZEQVAAKZHQ-PMACEKPBSA-N 2 0 345.531 2.587 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001667426790 1105146104 /nfs/dbraw/zinc/14/61/04/1105146104.db2.gz YWLYVBQRZIGSMT-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001667688946 1105179384 /nfs/dbraw/zinc/17/93/84/1105179384.db2.gz YSHQMJSMYGJRRZ-PKOBYXMFSA-N 2 0 333.520 2.750 10 30 EFEERP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@H]21 ZINC001667688940 1105179734 /nfs/dbraw/zinc/17/97/34/1105179734.db2.gz YSHQMJSMYGJRRZ-IEBWSBKVSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001669930032 1105547410 /nfs/dbraw/zinc/54/74/10/1105547410.db2.gz HICYABLJAJVGDU-ZWKOTPCHSA-N 2 0 341.499 2.529 10 30 EFEERP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001669979673 1105562698 /nfs/dbraw/zinc/56/26/98/1105562698.db2.gz DQAZVBQLNIKHJK-RBUKOAKNSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001671481653 1105643311 /nfs/dbraw/zinc/64/33/11/1105643311.db2.gz RHLYPOPOKLXYTE-LJQANCHMSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001671491451 1105644593 /nfs/dbraw/zinc/64/45/93/1105644593.db2.gz BNVONLNQNCWMIM-SFHVURJKSA-N 2 0 347.528 2.515 10 30 EFEERP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001671491747 1105644929 /nfs/dbraw/zinc/64/49/29/1105644929.db2.gz INSASSABNXEDPP-UHFFFAOYSA-N 2 0 335.536 2.691 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C\CCC)CC1 ZINC001671504019 1105647224 /nfs/dbraw/zinc/64/72/24/1105647224.db2.gz KTBVRAWXZFCFSR-QULHZPMSSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC001671530793 1105653032 /nfs/dbraw/zinc/65/30/32/1105653032.db2.gz UDBVVABZYPDDRY-GOSISDBHSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001671896685 1105724019 /nfs/dbraw/zinc/72/40/19/1105724019.db2.gz BJMYTPSLHYRVKE-NRFANRHFSA-N 2 0 343.515 2.809 10 30 EFEERP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001671908781 1105727813 /nfs/dbraw/zinc/72/78/13/1105727813.db2.gz WJPORPVSORTDNX-OALUTQOASA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001672216658 1105777316 /nfs/dbraw/zinc/77/73/16/1105777316.db2.gz VKVAWHCODFYCRV-HKUYNNGSSA-N 2 0 343.515 2.807 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001672392973 1105821862 /nfs/dbraw/zinc/82/18/62/1105821862.db2.gz SIETZSVXKLCXTH-UHFFFAOYSA-N 2 0 329.488 2.665 10 30 EFEERP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001672396528 1105822772 /nfs/dbraw/zinc/82/27/72/1105822772.db2.gz MXWKPBKLQAMQHT-UHFFFAOYSA-N 2 0 343.515 2.911 10 30 EFEERP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001672439108 1105833097 /nfs/dbraw/zinc/83/30/97/1105833097.db2.gz SFQJDRNTRYUXAT-CEXWTWQISA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001672446964 1105836003 /nfs/dbraw/zinc/83/60/03/1105836003.db2.gz FSCFJVDPQNJITO-GBESFXJTSA-N 2 0 333.520 2.607 10 30 EFEERP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001672539069 1105866138 /nfs/dbraw/zinc/86/61/38/1105866138.db2.gz WHRRFMCPIBCZHQ-RBUKOAKNSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001672880246 1105927709 /nfs/dbraw/zinc/92/77/09/1105927709.db2.gz RJJNRUBLOPWLMY-SFHVURJKSA-N 2 0 329.488 2.766 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001672938009 1105944526 /nfs/dbraw/zinc/94/45/26/1105944526.db2.gz OUYQNRYCCHDDCP-YLJYHZDGSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001672943461 1105945478 /nfs/dbraw/zinc/94/54/78/1105945478.db2.gz MOTWCMSRUSKBSJ-AEFFLSMTSA-N 2 0 329.488 2.871 10 30 EFEERP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001672943937 1105946582 /nfs/dbraw/zinc/94/65/82/1105946582.db2.gz UMDZYEROORSCRQ-IAGOWNOFSA-N 2 0 329.488 2.871 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001673009687 1105959153 /nfs/dbraw/zinc/95/91/53/1105959153.db2.gz YYVDPDLDOSNZFB-UHFFFAOYSA-N 2 0 345.531 2.753 10 30 EFEERP C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCC)CC1 ZINC001673496263 1106033990 /nfs/dbraw/zinc/03/39/90/1106033990.db2.gz JPTMLWLUHHPTFB-BGYRXZFFSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001673650683 1106066893 /nfs/dbraw/zinc/06/68/93/1106066893.db2.gz MJDOEYROZDKZBI-AZUAARDMSA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](CCC)CCC)C2 ZINC001673650545 1106067263 /nfs/dbraw/zinc/06/72/63/1106067263.db2.gz KIEWQLPERLZAEV-OAQYLSRUSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001673651157 1106068437 /nfs/dbraw/zinc/06/84/37/1106068437.db2.gz RBKKHSHZAOSQMO-QUCCMNQESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001673769655 1106084633 /nfs/dbraw/zinc/08/46/33/1106084633.db2.gz QNFGXMKXHMTJLC-VQIMIIECSA-N 2 0 341.499 2.925 10 30 EFEERP C=CCCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001674272596 1106164347 /nfs/dbraw/zinc/16/43/47/1106164347.db2.gz ZSUKDHYUWMZECO-AZUAARDMSA-N 2 0 341.499 2.620 10 30 EFEERP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001674347248 1106175318 /nfs/dbraw/zinc/17/53/18/1106175318.db2.gz BRYIEERNWLFUDB-FQEVSTJZSA-N 2 0 347.547 2.833 10 30 EFEERP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001674491913 1106204569 /nfs/dbraw/zinc/20/45/69/1106204569.db2.gz SXHLEBQSLZUDCE-PMACEKPBSA-N 2 0 341.499 2.626 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001674503949 1106208191 /nfs/dbraw/zinc/20/81/91/1106208191.db2.gz BSCNKEVXGJPZBY-RBUKOAKNSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001674510175 1106211076 /nfs/dbraw/zinc/21/10/76/1106211076.db2.gz FPAIBIVAOUEWRR-FQEVSTJZSA-N 2 0 347.547 2.692 10 30 EFEERP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001674510176 1106211244 /nfs/dbraw/zinc/21/12/44/1106211244.db2.gz FPAIBIVAOUEWRR-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001674555035 1106216287 /nfs/dbraw/zinc/21/62/87/1106216287.db2.gz YCNFWHYXHZSRDK-AOCRQIFASA-N 2 0 333.520 2.702 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)c1sccc1C[NH+](C)C)C(C)C ZINC001675123996 1106304777 /nfs/dbraw/zinc/30/47/77/1106304777.db2.gz FGBHYYUZYGTOKR-KRWDZBQOSA-N 2 0 349.544 2.909 10 30 EFEERP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001675129204 1106305414 /nfs/dbraw/zinc/30/54/14/1106305414.db2.gz DVHAPXOKZZNJLM-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001675204579 1106316416 /nfs/dbraw/zinc/31/64/16/1106316416.db2.gz LTMTWQDFCYZBPS-UHFFFAOYSA-N 2 0 329.488 2.957 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001675698518 1106413163 /nfs/dbraw/zinc/41/31/63/1106413163.db2.gz XKLOWWBDODAATC-OYRHEFFESA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001675764399 1106420783 /nfs/dbraw/zinc/42/07/83/1106420783.db2.gz SRAOHGVFCYAWNN-WKILWMFISA-N 2 0 326.444 2.707 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001676060305 1106478455 /nfs/dbraw/zinc/47/84/55/1106478455.db2.gz DSNIPYHTFSLKKS-UHFFFAOYSA-N 2 0 343.515 2.903 10 30 EFEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001676078827 1106481286 /nfs/dbraw/zinc/48/12/86/1106481286.db2.gz BSPIIZQBTANIAN-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001676082973 1106482503 /nfs/dbraw/zinc/48/25/03/1106482503.db2.gz ZHETVKPFMHGQST-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(Cl)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676089839 1106483900 /nfs/dbraw/zinc/48/39/00/1106483900.db2.gz UNBNAEBREUQVTL-SFHVURJKSA-N 2 0 349.906 2.699 10 30 EFEERP C#CCC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC001676143689 1106490766 /nfs/dbraw/zinc/49/07/66/1106490766.db2.gz CXQJEEUDOKKZJK-WOJBJXKFSA-N 2 0 341.499 2.721 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001676164876 1106494336 /nfs/dbraw/zinc/49/43/36/1106494336.db2.gz YSKLANNPSKBRDP-QGZVFWFLSA-N 2 0 341.459 2.578 10 30 EFEERP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001676173299 1106494702 /nfs/dbraw/zinc/49/47/02/1106494702.db2.gz HKPNPYULNIVZLY-WOJBJXKFSA-N 2 0 347.547 2.927 10 30 EFEERP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001676249114 1106505451 /nfs/dbraw/zinc/50/54/51/1106505451.db2.gz ILZRRCDAUYFPGU-VQIMIIECSA-N 2 0 339.499 2.602 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001676668039 1106555535 /nfs/dbraw/zinc/55/55/35/1106555535.db2.gz JSTJGFAYRFVXDY-QFBILLFUSA-N 2 0 329.488 2.559 10 30 EFEERP C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1(C)C ZINC001677043688 1106655562 /nfs/dbraw/zinc/65/55/62/1106655562.db2.gz TVOQGWXKDXGWBW-GOSISDBHSA-N 2 0 345.487 2.585 10 30 EFEERP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001677427262 1106716357 /nfs/dbraw/zinc/71/63/57/1106716357.db2.gz KXKVKVLKYQSGAB-LADRWXRNSA-N 2 0 339.499 2.744 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272320679 1107808380 /nfs/dbraw/zinc/80/83/80/1107808380.db2.gz CCCZUBBENGECOQ-MOPGFXCFSA-N 2 0 335.536 2.948 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001272502271 1108564917 /nfs/dbraw/zinc/56/49/17/1108564917.db2.gz FXFFRRGEXDAJBA-GOSISDBHSA-N 2 0 343.515 2.809 10 30 EFEERP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001272565863 1108673565 /nfs/dbraw/zinc/67/35/65/1108673565.db2.gz PIFCSBNZROWBCU-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483176649 1109947518 /nfs/dbraw/zinc/94/75/18/1109947518.db2.gz SEARABPODLGSOB-GOSISDBHSA-N 2 0 349.478 2.508 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001272590038 1111322826 /nfs/dbraw/zinc/32/28/26/1111322826.db2.gz FCRJCMCOSMYQAG-KRWDZBQOSA-N 2 0 349.906 2.943 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001483798827 1112461292 /nfs/dbraw/zinc/46/12/92/1112461292.db2.gz HGYDTIXWHAFZOH-MISYRCLQSA-N 2 0 347.547 2.853 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001483802799 1112466375 /nfs/dbraw/zinc/46/63/75/1112466375.db2.gz VAMMEOVDWQFDOB-SJORKVTESA-N 2 0 341.927 2.784 10 30 EFEERP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001483819019 1112469910 /nfs/dbraw/zinc/46/99/10/1112469910.db2.gz YWPTZKKRFJRQGE-UHFFFAOYSA-N 2 0 345.531 2.589 10 30 EFEERP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001483816545 1112485185 /nfs/dbraw/zinc/48/51/85/1112485185.db2.gz FDFBBNSPLGNAGG-IBGZPJMESA-N 2 0 335.536 2.852 10 30 EFEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001483833263 1112494466 /nfs/dbraw/zinc/49/44/66/1112494466.db2.gz IWJQTQFOIKWFKS-ZJOUEHCJSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483917962 1112559079 /nfs/dbraw/zinc/55/90/79/1112559079.db2.gz QKPCBXXMMRLCBA-IAGOWNOFSA-N 2 0 341.927 2.974 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CCCC)CC1 ZINC001483983535 1112628602 /nfs/dbraw/zinc/62/86/02/1112628602.db2.gz FCWPOOUCSBGYEP-UYAOXDASSA-N 2 0 345.531 2.730 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCCCC=C)CC1 ZINC001483986017 1112631504 /nfs/dbraw/zinc/63/15/04/1112631504.db2.gz RHIBWAXRQVKBFM-HXUWFJFHSA-N 2 0 345.531 2.753 10 30 EFEERP C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCCC)CC1 ZINC001483987904 1112633516 /nfs/dbraw/zinc/63/35/16/1112633516.db2.gz INMFVBKZMPGYQZ-IBGZPJMESA-N 2 0 347.547 2.977 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc2ccccc2c1 ZINC001483992946 1112642019 /nfs/dbraw/zinc/64/20/19/1112642019.db2.gz RZLXGTIDFWNFHC-LEWJYISDSA-N 2 0 349.478 2.562 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001484008155 1112656777 /nfs/dbraw/zinc/65/67/77/1112656777.db2.gz NZVBFZUIHWZGKH-MJGOQNOKSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001484175003 1112890060 /nfs/dbraw/zinc/89/00/60/1112890060.db2.gz NYMMGUYVMYXTPI-UYAOXDASSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001484559928 1113013771 /nfs/dbraw/zinc/01/37/71/1113013771.db2.gz BTTQUCYTZZDGEL-INIZCTEOSA-N 2 0 327.472 2.768 10 30 EFEERP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001484562809 1113024374 /nfs/dbraw/zinc/02/43/74/1113024374.db2.gz GVKOFQNDDYKMEX-FXAWDEMLSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001484582217 1113035415 /nfs/dbraw/zinc/03/54/15/1113035415.db2.gz DZMOAYCCPKPUHW-SFHVURJKSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001484829768 1117747747 /nfs/dbraw/zinc/74/77/47/1117747747.db2.gz KWZHLYVGRKQKOB-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001484830184 1117748322 /nfs/dbraw/zinc/74/83/22/1117748322.db2.gz NPZZIFFEIFZWOC-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@@H+](C)CCC)C2 ZINC001484829769 1117748597 /nfs/dbraw/zinc/74/85/97/1117748597.db2.gz KWZHLYVGRKQKOB-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001484820267 1117754682 /nfs/dbraw/zinc/75/46/82/1117754682.db2.gz LZOITJOMSPATHL-MRXNPFEDSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001484924173 1117840020 /nfs/dbraw/zinc/84/00/20/1117840020.db2.gz KEBAYRWWJVUBAU-MRXNPFEDSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001485045451 1117964299 /nfs/dbraw/zinc/96/42/99/1117964299.db2.gz YGVPCHJRNDFBFU-UYAOXDASSA-N 2 0 329.488 2.666 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485036871 1117969723 /nfs/dbraw/zinc/96/97/23/1117969723.db2.gz GTJLGURJSGHOOL-HOTGVXAUSA-N 2 0 327.900 2.582 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001485176871 1118111835 /nfs/dbraw/zinc/11/18/35/1118111835.db2.gz XTZMYOXQYMPZIV-CABCVRRESA-N 2 0 337.895 2.640 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001485253242 1118168879 /nfs/dbraw/zinc/16/88/79/1118168879.db2.gz DUNGWIMKXCKVDL-HZPDHXFCSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485260792 1118179974 /nfs/dbraw/zinc/17/99/74/1118179974.db2.gz QRDSFOKKPFYDLA-LJQANCHMSA-N 2 0 341.515 2.849 10 30 EFEERP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485257214 1118189017 /nfs/dbraw/zinc/18/90/17/1118189017.db2.gz KWWKYLVKDROZAP-UHFFFAOYSA-N 2 0 335.536 2.596 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001485432752 1118344994 /nfs/dbraw/zinc/34/49/94/1118344994.db2.gz BWJMHXZULMDOSX-UXHICEINSA-N 2 0 347.547 2.879 10 30 EFEERP C=CC[NH2+][C@@H](CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001485436141 1118348306 /nfs/dbraw/zinc/34/83/06/1118348306.db2.gz YLXAFBYVPJNECO-KRWDZBQOSA-N 2 0 341.459 2.530 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCCC=C)CC1 ZINC001485484548 1118391484 /nfs/dbraw/zinc/39/14/84/1118391484.db2.gz HYBQNIPHCGZKTL-HXUWFJFHSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001485609734 1118485662 /nfs/dbraw/zinc/48/56/62/1118485662.db2.gz RMZAMUPGFWOHIA-OWZKRDHZSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001485692952 1118533385 /nfs/dbraw/zinc/53/33/85/1118533385.db2.gz QAHZATQOZPWREW-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001485765657 1118578058 /nfs/dbraw/zinc/57/80/58/1118578058.db2.gz NGBOTMDGSILUCD-UHFFFAOYSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001485817828 1119784392 /nfs/dbraw/zinc/78/43/92/1119784392.db2.gz QCVNIBCUNGIRRP-SJLPKXTDSA-N 2 0 333.520 2.796 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000081095198 217361296 /nfs/dbraw/zinc/36/12/96/217361296.db2.gz ADPLQSUCHPUUBN-CRAIPNDOSA-N 2 0 328.460 2.549 10 30 EFEERP N#Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397611840 268072776 /nfs/dbraw/zinc/07/27/76/268072776.db2.gz FKOFNECDTIIEKE-UHFFFAOYSA-N 2 0 335.451 2.675 10 30 EFEERP COc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1C#N ZINC000423131487 274094992 /nfs/dbraw/zinc/09/49/92/274094992.db2.gz ZXHJAGJEKKAFGG-RXVVDRJESA-N 2 0 349.434 2.912 10 30 EFEERP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261809757 278167970 /nfs/dbraw/zinc/16/79/70/278167970.db2.gz SJVWZIUZZWEPMA-GHTZIAJQSA-N 2 0 342.531 2.957 10 30 EFEERP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000329484872 295385901 /nfs/dbraw/zinc/38/59/01/295385901.db2.gz SLHGSERALLJPCS-IXDOHACOSA-N 2 0 331.435 2.617 10 30 EFEERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000177133552 473312826 /nfs/dbraw/zinc/31/28/26/473312826.db2.gz SOIYYXGERNRSBZ-INIZCTEOSA-N 2 0 334.891 2.716 10 30 EFEERP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000069859962 472452663 /nfs/dbraw/zinc/45/26/63/472452663.db2.gz JLTGRTABKSQGFS-UHFFFAOYSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000106329605 472840749 /nfs/dbraw/zinc/84/07/49/472840749.db2.gz PFAHYMFVURQNMH-LJQANCHMSA-N 2 0 344.503 2.629 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000079461107 472867657 /nfs/dbraw/zinc/86/76/57/472867657.db2.gz UUAIHQRYACQRGN-CRAIPNDOSA-N 2 0 328.460 2.549 10 30 EFEERP C=CC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000625701610 480015604 /nfs/dbraw/zinc/01/56/04/480015604.db2.gz AOQNBSVXIKPJKY-LJQANCHMSA-N 2 0 341.499 2.797 10 30 EFEERP C[NH+](C)Cc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1F ZINC000123786592 473184483 /nfs/dbraw/zinc/18/44/83/473184483.db2.gz IPMOXXZFJDZVNO-UHFFFAOYSA-N 2 0 337.402 2.696 10 30 EFEERP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000282477548 474080616 /nfs/dbraw/zinc/08/06/16/474080616.db2.gz PWMPAGIOSSLADM-HXUWFJFHSA-N 2 0 349.482 2.923 10 30 EFEERP COCC[N@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271094271 474401125 /nfs/dbraw/zinc/40/11/25/474401125.db2.gz XZTFXRYCRRFXTP-UHFFFAOYSA-N 2 0 329.488 2.948 10 30 EFEERP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000189963763 474519860 /nfs/dbraw/zinc/51/98/60/474519860.db2.gz RILBTTWRFFLUDF-XLIONFOSSA-N 2 0 326.488 2.721 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000245412205 474582984 /nfs/dbraw/zinc/58/29/84/474582984.db2.gz ADPLQSUCHPUUBN-MAUKXSAKSA-N 2 0 328.460 2.549 10 30 EFEERP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cccc(C#N)c2)CCCN1C ZINC000284750744 474750491 /nfs/dbraw/zinc/75/04/91/474750491.db2.gz FHGGLYCLXFPZBV-AZUAARDMSA-N 2 0 337.471 2.807 10 30 EFEERP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000349722139 475990968 /nfs/dbraw/zinc/99/09/68/475990968.db2.gz JQDRJIYNGFWNCG-MOPGFXCFSA-N 2 0 348.535 2.563 10 30 EFEERP CC[NH+]1CCN(CC(C)(C)[NH2+]CC#Cc2ccccc2Cl)CC1 ZINC000451976622 476757720 /nfs/dbraw/zinc/75/77/20/476757720.db2.gz BTBUYQRVYADLKO-UHFFFAOYSA-N 2 0 333.907 2.697 10 30 EFEERP C=CC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422865267 476818615 /nfs/dbraw/zinc/81/86/15/476818615.db2.gz XMAKLWRDOKEDBG-PMACEKPBSA-N 2 0 329.488 2.728 10 30 EFEERP C=CCOc1ccccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123593 476907613 /nfs/dbraw/zinc/90/76/13/476907613.db2.gz LHUYBUJBFMJGJX-QUCCMNQESA-N 2 0 330.472 2.970 10 30 EFEERP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000423253974 476975641 /nfs/dbraw/zinc/97/56/41/476975641.db2.gz ZJZGMTZLSMXUPL-OAQYLSRUSA-N 2 0 334.467 2.812 10 30 EFEERP COC[C@@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[NH2+]1 ZINC000423413591 477024524 /nfs/dbraw/zinc/02/45/24/477024524.db2.gz KXACXIDPOMRUBS-MHJFOBGBSA-N 2 0 327.472 2.749 10 30 EFEERP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594437064 478386240 /nfs/dbraw/zinc/38/62/40/478386240.db2.gz HWGCDTMGPJODPJ-WBVHZDCISA-N 2 0 330.476 2.643 10 30 EFEERP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437751 478386255 /nfs/dbraw/zinc/38/62/55/478386255.db2.gz FCDJTLGCSPKPFT-MJGOQNOKSA-N 2 0 342.487 2.521 10 30 EFEERP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1cccs1 ZINC000594437712 478387030 /nfs/dbraw/zinc/38/70/30/478387030.db2.gz DPULPPQVHIZGCI-BFYDXBDKSA-N 2 0 348.516 2.658 10 30 EFEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000594438564 478387381 /nfs/dbraw/zinc/38/73/81/478387381.db2.gz OKTNHJQBWJTSNN-IBGZPJMESA-N 2 0 342.487 2.521 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000594440705 478389576 /nfs/dbraw/zinc/38/95/76/478389576.db2.gz HVBQQLBOWRLLPZ-MOPGFXCFSA-N 2 0 342.487 2.569 10 30 EFEERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439089 478389908 /nfs/dbraw/zinc/38/99/08/478389908.db2.gz SGNYBJUYBSHFSN-SQNIBIBYSA-N 2 0 334.508 2.511 10 30 EFEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441868 478390572 /nfs/dbraw/zinc/39/05/72/478390572.db2.gz XLXHXFRFKVKCSX-MOPGFXCFSA-N 2 0 342.487 2.521 10 30 EFEERP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000594441936 478390879 /nfs/dbraw/zinc/39/08/79/478390879.db2.gz YWNDYAQFPXPPCH-OALUTQOASA-N 2 0 342.487 2.741 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000562959989 478393571 /nfs/dbraw/zinc/39/35/71/478393571.db2.gz DKOXSWLSTBGTIM-HIEASXQVSA-N 2 0 328.460 2.893 10 30 EFEERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496024 478411475 /nfs/dbraw/zinc/41/14/75/478411475.db2.gz XHVXOQRHIUDAOQ-UHFFFAOYSA-N 2 0 328.504 2.603 10 30 EFEERP C[C@@H]1CN(CC#Cc2ccccc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490987780 478419714 /nfs/dbraw/zinc/41/97/14/478419714.db2.gz MWCIYUMXICAVLM-XLIONFOSSA-N 2 0 345.918 2.649 10 30 EFEERP C[C@H]1CN(CC#Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490987778 478419953 /nfs/dbraw/zinc/41/99/53/478419953.db2.gz MWCIYUMXICAVLM-FXAWDEMLSA-N 2 0 345.918 2.649 10 30 EFEERP N#CC1(C[C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000528501265 478804830 /nfs/dbraw/zinc/80/48/30/478804830.db2.gz CYLWGQLIOKZZDN-FPOVZHCZSA-N 2 0 339.483 2.639 10 30 EFEERP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2cccc(C#N)c2)CC1 ZINC000595640119 478908483 /nfs/dbraw/zinc/90/84/83/478908483.db2.gz NURIQRVTCRPIHN-UHFFFAOYSA-N 2 0 328.504 2.799 10 30 EFEERP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1(C)C ZINC000598979827 479112697 /nfs/dbraw/zinc/11/26/97/479112697.db2.gz DCUIGOVAZUJKJJ-HXUWFJFHSA-N 2 0 340.515 2.985 10 30 EFEERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)CC1(C#N)CC1 ZINC000599345752 479261852 /nfs/dbraw/zinc/26/18/52/479261852.db2.gz BEKCQYDHMCFRQE-IBGZPJMESA-N 2 0 342.487 2.675 10 30 EFEERP CN(CCC[NH+](C)C)CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000596425180 479289573 /nfs/dbraw/zinc/28/95/73/479289573.db2.gz OLMCCTMZBRNUMK-UHFFFAOYSA-N 2 0 328.382 2.872 10 30 EFEERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C#N)cc1F ZINC000611587382 479426628 /nfs/dbraw/zinc/42/66/28/479426628.db2.gz BOENGZAPYKHJLP-HOCLYGCPSA-N 2 0 330.451 2.516 10 30 EFEERP C=CCC[C@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000641760529 481055616 /nfs/dbraw/zinc/05/56/16/481055616.db2.gz SXPFVHNPAVTTNY-LJQANCHMSA-N 2 0 331.504 2.635 10 30 EFEERP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705876 481272627 /nfs/dbraw/zinc/27/26/27/481272627.db2.gz ZKBIHOIEBXCGAF-NLWGTHIKSA-N 2 0 330.472 2.970 10 30 EFEERP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705274 481272789 /nfs/dbraw/zinc/27/27/89/481272789.db2.gz AVYRNTUORXNLPC-NSHGMRRFSA-N 2 0 330.472 2.970 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CCC[NH2+]1 ZINC000662391676 481780805 /nfs/dbraw/zinc/78/08/05/481780805.db2.gz FDYZBPLVJRIQJX-UYAOXDASSA-N 2 0 329.488 2.884 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662662152 481921964 /nfs/dbraw/zinc/92/19/64/481921964.db2.gz AQJKQBWOKOFOEU-QUCCMNQESA-N 2 0 329.488 2.666 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2ccccc2C[NH+](CC)CC)CCC[NH2+]1 ZINC000662668788 481924443 /nfs/dbraw/zinc/92/44/43/481924443.db2.gz IXQVIBUILFLKOF-FQEVSTJZSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[C@]1(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)CCC[NH2+]1 ZINC000662668442 481925051 /nfs/dbraw/zinc/92/50/51/481925051.db2.gz FPGQPBJCXIZDGN-HXUWFJFHSA-N 2 0 329.488 2.843 10 30 EFEERP C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000651752487 481932553 /nfs/dbraw/zinc/93/25/53/481932553.db2.gz IHQLQNZWTQYJKS-LPHOPBHVSA-N 2 0 329.488 2.812 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000662693129 481936797 /nfs/dbraw/zinc/93/67/97/481936797.db2.gz ZYBHQNRSDGKLRF-HXUWFJFHSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000662746330 481957924 /nfs/dbraw/zinc/95/79/24/481957924.db2.gz SCDLVKFTELMHTI-VDZJLULYSA-N 2 0 347.528 2.946 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCC[NH2+]1 ZINC000662746326 481958795 /nfs/dbraw/zinc/95/87/95/481958795.db2.gz SCDLVKFTELMHTI-KVSKMBFKSA-N 2 0 347.528 2.946 10 30 EFEERP C=CC[C@@]1(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662787951 481969702 /nfs/dbraw/zinc/96/97/02/481969702.db2.gz DADGYHBEXIKEMJ-FQEVSTJZSA-N 2 0 329.488 2.795 10 30 EFEERP C=CC[C@]1(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805553 481978310 /nfs/dbraw/zinc/97/83/10/481978310.db2.gz YVXIFJJYRBWYCJ-SLYNCCJLSA-N 2 0 341.499 2.712 10 30 EFEERP C=CC[C@]1(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805551 481978584 /nfs/dbraw/zinc/97/85/84/481978584.db2.gz YVXIFJJYRBWYCJ-FBBABVLZSA-N 2 0 341.499 2.712 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414887 521720087 /nfs/dbraw/zinc/72/00/87/521720087.db2.gz CTQQEMCLLJYAMW-YJBOKZPZSA-N 2 0 328.460 2.549 10 30 EFEERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000350937619 535497549 /nfs/dbraw/zinc/49/75/49/535497549.db2.gz HKWIZTMFQVANSY-UHFFFAOYSA-N 2 0 342.487 2.941 10 30 EFEERP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245809541 536301585 /nfs/dbraw/zinc/30/15/85/536301585.db2.gz ZCWLZVKXWRYSTD-IBGZPJMESA-N 2 0 326.488 2.954 10 30 EFEERP N#Cc1ccc([C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000763231411 576368397 /nfs/dbraw/zinc/36/83/97/576368397.db2.gz AERQLWGFUDKXSR-OAQYLSRUSA-N 2 0 335.451 2.977 10 30 EFEERP N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000763231407 576368410 /nfs/dbraw/zinc/36/84/10/576368410.db2.gz AERQLWGFUDKXSR-NRFANRHFSA-N 2 0 335.451 2.977 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccc(C(C)C)cc1 ZINC001691772801 1248640506 /nfs/dbraw/zinc/64/05/06/1248640506.db2.gz PUOHXCLPHDPPAW-IBGZPJMESA-N 2 0 329.488 2.530 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001691920239 1248825048 /nfs/dbraw/zinc/82/50/48/1248825048.db2.gz UMZLDMKPWOYMRH-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@@H+](C)CCC ZINC001691428995 1248883136 /nfs/dbraw/zinc/88/31/36/1248883136.db2.gz SXYGYMOSKSSQPH-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001691935180 1249062397 /nfs/dbraw/zinc/06/23/97/1249062397.db2.gz BQLCQNOVOICEMP-HUUCEWRRSA-N 2 0 349.441 2.519 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C\CCC)CC1 ZINC001691112614 1248433409 /nfs/dbraw/zinc/43/34/09/1248433409.db2.gz IQTFWKQMMXJRTG-PXDRNWIDSA-N 2 0 345.531 2.659 10 30 EFEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691225877 1248552055 /nfs/dbraw/zinc/55/20/55/1248552055.db2.gz IPXIJOUTHOKGTB-GBESFXJTSA-N 2 0 345.531 2.539 10 30 EFEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691245027 1248565341 /nfs/dbraw/zinc/56/53/41/1248565341.db2.gz KXDAPCMMVRWZHN-NSHGMRRFSA-N 2 0 345.531 2.681 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3ccnc3)C2)CC1 ZINC001691274925 1248585458 /nfs/dbraw/zinc/58/54/58/1248585458.db2.gz HUSRGIWFTOHORX-SFHVURJKSA-N 2 0 344.503 2.942 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691632825 1251890748 /nfs/dbraw/zinc/89/07/48/1251890748.db2.gz QUJYWSZIVQGDHF-HXUWFJFHSA-N 2 0 341.499 2.746 10 30 EFEERP C=CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484094351 1252234815 /nfs/dbraw/zinc/23/48/15/1252234815.db2.gz OKFSZNTYUGCLOY-GGPKGHCWSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1CC ZINC001484323069 1252391424 /nfs/dbraw/zinc/39/14/24/1252391424.db2.gz KEVQUCHJCSSBEG-FQEVSTJZSA-N 2 0 343.515 2.914 10 30 EFEERP CCCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484354029 1252447000 /nfs/dbraw/zinc/44/70/00/1252447000.db2.gz VPEOOCDLGYQJGS-QZTJIDSGSA-N 2 0 335.536 2.879 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001484380233 1252492262 /nfs/dbraw/zinc/49/22/62/1252492262.db2.gz LCAFXCZHSPSKED-MJGOQNOKSA-N 2 0 335.536 2.757 10 30 EFEERP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001484472198 1252693919 /nfs/dbraw/zinc/69/39/19/1252693919.db2.gz COAGSRIHQMETIH-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484561516 1252756409 /nfs/dbraw/zinc/75/64/09/1252756409.db2.gz ZWEYHXWSFQVTRR-PBHICJAKSA-N 2 0 335.879 2.800 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001484574253 1252758822 /nfs/dbraw/zinc/75/88/22/1252758822.db2.gz UKLNAOZTNOSBNR-UAPYVXQJSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484771441 1252939316 /nfs/dbraw/zinc/93/93/16/1252939316.db2.gz CMLNJSIEWRODIU-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001484772325 1252945807 /nfs/dbraw/zinc/94/58/07/1252945807.db2.gz QRXLPTFACKSUNR-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001484772334 1252947459 /nfs/dbraw/zinc/94/74/59/1252947459.db2.gz QWPHNWMKRUBCMN-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001671055566 1265829454 /nfs/dbraw/zinc/82/94/54/1265829454.db2.gz SXFBGEMMCPCKTJ-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001485824091 1255318289 /nfs/dbraw/zinc/31/82/89/1255318289.db2.gz GYISGBNIMVJJIY-DLBZAZTESA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001485824092 1255322592 /nfs/dbraw/zinc/32/25/92/1255322592.db2.gz GYISGBNIMVJJIY-IAGOWNOFSA-N 2 0 341.927 2.688 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000921538914 1257079626 /nfs/dbraw/zinc/07/96/26/1257079626.db2.gz LFPMQXPINPYTFP-UHFFFAOYSA-N 2 0 349.482 2.612 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001272805330 1258193336 /nfs/dbraw/zinc/19/33/36/1258193336.db2.gz OVEUYQFSHYZRGF-MSOLQXFVSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001670946451 1258881917 /nfs/dbraw/zinc/88/19/17/1258881917.db2.gz JIOOHVINKVWTCT-IPQPSQTFSA-N 2 0 333.520 2.939 10 30 EFEERP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCCCCC ZINC001670964944 1259123788 /nfs/dbraw/zinc/12/37/88/1259123788.db2.gz KFEHNHIPVRFWBH-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP CC[NH+]=C(NCc1ncc(C)s1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000086741184 1261339353 /nfs/dbraw/zinc/33/93/53/1261339353.db2.gz QSYXFNUWDZOVNU-AWEZNQCLSA-N 2 0 335.521 2.524 10 30 EFEERP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501895 1261799414 /nfs/dbraw/zinc/79/94/14/1261799414.db2.gz WPGXLJPPGYYGTE-PMPSAXMXSA-N 2 0 335.517 2.568 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001486167895 1262728588 /nfs/dbraw/zinc/72/85/88/1262728588.db2.gz UMXYLSSRFXWJNB-GUDVDZBRSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC/C=C\CC)C2)CC1 ZINC001486222670 1262828007 /nfs/dbraw/zinc/82/80/07/1262828007.db2.gz ZETJZGDYPAMQRI-WYTZPYIFSA-N 2 0 345.531 2.562 10 30 EFEERP C[NH+](C)CCCC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486409849 1263029454 /nfs/dbraw/zinc/02/94/54/1263029454.db2.gz HAHGWLQTQZOCJV-IBGZPJMESA-N 2 0 343.515 2.500 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)Cc1cnccc1OC)C(C)(C)C ZINC001486405547 1263058038 /nfs/dbraw/zinc/05/80/38/1263058038.db2.gz YVGRMXNDPCNBKK-KRWDZBQOSA-N 2 0 333.476 2.719 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC001486420873 1263068123 /nfs/dbraw/zinc/06/81/23/1263068123.db2.gz ZUKCCMMEIPIJGQ-IBGZPJMESA-N 2 0 343.515 2.500 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001486425109 1263079105 /nfs/dbraw/zinc/07/91/05/1263079105.db2.gz SVPAVERXRTVYDH-SFHVURJKSA-N 2 0 329.488 2.506 10 30 EFEERP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001691663619 1264357440 /nfs/dbraw/zinc/35/74/40/1264357440.db2.gz TXJWOHFJHTZDQY-APWZRJJASA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001493021149 1269862964 /nfs/dbraw/zinc/86/29/64/1269862964.db2.gz AGSVDCNEBWGRTK-SFHVURJKSA-N 2 0 327.488 2.603 10 30 EFEERP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000844324195 1278909394 /nfs/dbraw/zinc/90/93/94/1278909394.db2.gz FYURJMQGJFCYBT-UHFFFAOYSA-N 2 0 328.416 2.774 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001136362176 1277268976 /nfs/dbraw/zinc/26/89/76/1277268976.db2.gz SBJXOHIQZYQMJW-IEBWSBKVSA-N 2 0 329.488 2.788 10 30 EFEERP C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805876514 1280838527 /nfs/dbraw/zinc/83/85/27/1280838527.db2.gz MGWBPJJCWMHXLZ-LJQANCHMSA-N 2 0 326.440 2.537 10 30 EFEERP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001671081785 1280970140 /nfs/dbraw/zinc/97/01/40/1280970140.db2.gz XJMGHUAZTYDNDW-HXUWFJFHSA-N 2 0 333.520 2.751 10 30 EFEERP N#CC1(C[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000872222719 1287484826 /nfs/dbraw/zinc/48/48/26/1287484826.db2.gz BNXCQOYVVGGINW-FQEVSTJZSA-N 2 0 341.499 2.933 10 30 EFEERP C#CCC[N@@H+](CCCNC(=O)c1ccc(-n2ccnc2)cc1)C(C)C ZINC001691742212 1290774057 /nfs/dbraw/zinc/77/40/57/1290774057.db2.gz OGYCLTURDMEUDS-UHFFFAOYSA-N 2 0 338.455 2.726 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000876739841 1290998196 /nfs/dbraw/zinc/99/81/96/1290998196.db2.gz JIGAJIDNENJODE-PMPSAXMXSA-N 2 0 327.900 2.569 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000876750844 1291004022 /nfs/dbraw/zinc/00/40/22/1291004022.db2.gz JSUMBRHTHZUUSZ-SFHVURJKSA-N 2 0 349.906 2.827 10 30 EFEERP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000876750842 1291004059 /nfs/dbraw/zinc/00/40/59/1291004059.db2.gz JSUMBRHTHZUUSZ-GOSISDBHSA-N 2 0 349.906 2.827 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000876774817 1291019350 /nfs/dbraw/zinc/01/93/50/1291019350.db2.gz IAIYFGHUBFGHIM-RDJZCZTQSA-N 2 0 335.879 2.579 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877443541 1291236869 /nfs/dbraw/zinc/23/68/69/1291236869.db2.gz FUUATQBDRRYEQQ-KBMXLJTQSA-N 2 0 327.900 2.603 10 30 EFEERP C=CCCC[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273610463 1292368814 /nfs/dbraw/zinc/36/88/14/1292368814.db2.gz NLDMFGGHILWIQP-GOSISDBHSA-N 2 0 327.488 2.603 10 30 EFEERP C=CCCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000880389852 1292479615 /nfs/dbraw/zinc/47/96/15/1292479615.db2.gz JXDMITVVUJTJJS-IBGZPJMESA-N 2 0 329.488 2.884 10 30 EFEERP C=CCCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000880389853 1292479658 /nfs/dbraw/zinc/47/96/58/1292479658.db2.gz JXDMITVVUJTJJS-LJQANCHMSA-N 2 0 329.488 2.884 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC(C)C)C[C@@H]2C)CC1 ZINC001277785599 1312942802 /nfs/dbraw/zinc/94/28/02/1312942802.db2.gz LUZCYJZNEZXRDY-ICSRJNTNSA-N 2 0 347.547 2.737 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC(C)C)C[C@H]2C)CC1 ZINC001277785600 1312942844 /nfs/dbraw/zinc/94/28/44/1312942844.db2.gz LUZCYJZNEZXRDY-QUCCMNQESA-N 2 0 347.547 2.737 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001276335488 1292829878 /nfs/dbraw/zinc/82/98/78/1292829878.db2.gz WZDHSAZWWNIXHK-IBGZPJMESA-N 2 0 333.520 2.637 10 30 EFEERP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001276448063 1313100804 /nfs/dbraw/zinc/10/08/04/1313100804.db2.gz UTBUVZYIEVBLJL-LPHOPBHVSA-N 2 0 329.488 2.692 10 30 EFEERP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273826580 1296168501 /nfs/dbraw/zinc/16/85/01/1296168501.db2.gz ZRHDXFXDMUDAFK-VQTJNVASSA-N 2 0 343.515 2.692 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001274885974 1296201995 /nfs/dbraw/zinc/20/19/95/1296201995.db2.gz VYTMMRYUSGTSRU-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@@H+](CCc1ccccc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903885377 1313347684 /nfs/dbraw/zinc/34/76/84/1313347684.db2.gz GHYWQGHJLGSXRA-LJQANCHMSA-N 2 0 326.488 2.577 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]C(C)C)CC1 ZINC001489070904 1298003301 /nfs/dbraw/zinc/00/33/01/1298003301.db2.gz ABUHNWWRMHWSRM-UYAOXDASSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001489091611 1298053458 /nfs/dbraw/zinc/05/34/58/1298053458.db2.gz BLVTWMGMZWOJAV-WOJBJXKFSA-N 2 0 343.515 2.879 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001489200050 1298114612 /nfs/dbraw/zinc/11/46/12/1298114612.db2.gz PRIILGFNIKWIMS-OTWHNJEPSA-N 2 0 347.547 2.996 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001489231248 1298143196 /nfs/dbraw/zinc/14/31/96/1298143196.db2.gz KWAJKIDCBCFRCX-UYAOXDASSA-N 2 0 345.531 2.778 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001490303779 1298723006 /nfs/dbraw/zinc/72/30/06/1298723006.db2.gz QOGNGUPAGBDYQB-LPHOPBHVSA-N 2 0 329.488 2.907 10 30 EFEERP N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000903988813 1313544959 /nfs/dbraw/zinc/54/49/59/1313544959.db2.gz XVTCWCPNGWQNLT-IBGZPJMESA-N 2 0 347.466 2.675 10 30 EFEERP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001490599630 1299023293 /nfs/dbraw/zinc/02/32/93/1299023293.db2.gz RYRJWNPGBUIQEN-CVEARBPZSA-N 2 0 341.927 2.830 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001490611566 1299037177 /nfs/dbraw/zinc/03/71/77/1299037177.db2.gz XKGKWJKWSJXMOW-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001490611567 1299037374 /nfs/dbraw/zinc/03/73/74/1299037374.db2.gz XKGKWJKWSJXMOW-QZTJIDSGSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001490793700 1299262525 /nfs/dbraw/zinc/26/25/25/1299262525.db2.gz JXCIJAXLGGYPLK-CEXWTWQISA-N 2 0 333.520 2.748 10 30 EFEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCC(C)C)CC1 ZINC001278188475 1313762298 /nfs/dbraw/zinc/76/22/98/1313762298.db2.gz QJYMWKHNFRGHAD-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001278274954 1313862885 /nfs/dbraw/zinc/86/28/85/1313862885.db2.gz UDCSSVDGGSZITH-QAPCUYQASA-N 2 0 326.444 2.802 10 30 EFEERP CN(C)c1ccc(C#N)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000865635046 1303343231 /nfs/dbraw/zinc/34/32/31/1303343231.db2.gz JFQNWWHXXIJJKR-UHFFFAOYSA-N 2 0 326.488 2.836 10 30 EFEERP C[NH+]1CCC(C[NH2+]Cc2nc(C#N)cs2)(c2ccccc2)CC1 ZINC000865775327 1303395543 /nfs/dbraw/zinc/39/55/43/1303395543.db2.gz VBFRGVUQPGEDFG-UHFFFAOYSA-N 2 0 326.469 2.768 10 30 EFEERP CCC[NH+]1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000866446115 1303644525 /nfs/dbraw/zinc/64/45/25/1303644525.db2.gz OWHOTNALGUUGAF-UHFFFAOYSA-N 2 0 326.488 2.991 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866617439 1303713170 /nfs/dbraw/zinc/71/31/70/1303713170.db2.gz JMFJGDQRCGTSSI-NDXORKPFSA-N 2 0 341.499 2.752 10 30 EFEERP N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000866702842 1303756335 /nfs/dbraw/zinc/75/63/35/1303756335.db2.gz BZWFQRNVLXYYIQ-UHFFFAOYSA-N 2 0 332.451 2.526 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@@H+](C)CC)C2 ZINC001278334461 1314140482 /nfs/dbraw/zinc/14/04/82/1314140482.db2.gz CCYQOUCOXPANTO-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000900406372 1308133368 /nfs/dbraw/zinc/13/33/68/1308133368.db2.gz HRWAZEZJEQSKHC-IBGZPJMESA-N 2 0 329.488 2.523 10 30 EFEERP CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001276668935 1314233095 /nfs/dbraw/zinc/23/30/95/1314233095.db2.gz AEEDHRWLDZSULN-WTGUMLROSA-N 2 0 347.547 2.593 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000900827516 1308734200 /nfs/dbraw/zinc/73/42/00/1308734200.db2.gz QQLWOBZKBFTERH-RDJZCZTQSA-N 2 0 335.517 2.755 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000900957800 1309037740 /nfs/dbraw/zinc/03/77/40/1309037740.db2.gz BHLDRCCIPMDKQJ-PKOBYXMFSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000900972901 1309081676 /nfs/dbraw/zinc/08/16/76/1309081676.db2.gz CUKUWYAFPCKAMW-MJGOQNOKSA-N 2 0 329.488 2.664 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001283725030 1319999686 /nfs/dbraw/zinc/99/96/86/1319999686.db2.gz WXKKOORNILOMMB-SFHVURJKSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001284149793 1320237579 /nfs/dbraw/zinc/23/75/79/1320237579.db2.gz YLBJEKDWELWMAB-WOJBJXKFSA-N 2 0 343.515 2.754 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001277286394 1311924449 /nfs/dbraw/zinc/92/44/49/1311924449.db2.gz YYVDGLWQEZXXSC-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@]1(C)CCCCO1 ZINC000902745623 1312071522 /nfs/dbraw/zinc/07/15/22/1312071522.db2.gz RSCAQNLZFXEWJV-UXHICEINSA-N 2 0 337.552 2.898 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@@]1(C)CCCCO1 ZINC000902746603 1312072182 /nfs/dbraw/zinc/07/21/82/1312072182.db2.gz KRHFFVLMCJECPB-SLFFLAALSA-N 2 0 337.552 2.896 10 30 EFEERP C#CCC[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001277388859 1312099463 /nfs/dbraw/zinc/09/94/63/1312099463.db2.gz UTVKDGURVHBFGS-IBGZPJMESA-N 2 0 345.531 2.587 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cc(C#N)ccn2)[C@H](C)C1 ZINC000902806034 1312122257 /nfs/dbraw/zinc/12/22/57/1312122257.db2.gz HZXOSTKFGZTQAL-NUJGCVRESA-N 2 0 330.476 2.741 10 30 EFEERP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001277474020 1312393857 /nfs/dbraw/zinc/39/38/57/1312393857.db2.gz MGOGSMAMDFNGJA-NRFANRHFSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001277473318 1312399288 /nfs/dbraw/zinc/39/92/88/1312399288.db2.gz CEBCAOXPIFNEBD-HXUWFJFHSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001277526145 1312513708 /nfs/dbraw/zinc/51/37/08/1312513708.db2.gz XVHUTKFVMPPLEM-HXUWFJFHSA-N 2 0 345.531 2.753 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001277609870 1312621550 /nfs/dbraw/zinc/62/15/50/1312621550.db2.gz IMAJHBKTHJITHK-APWZRJJASA-N 2 0 333.520 2.891 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC001278453109 1314647956 /nfs/dbraw/zinc/64/79/56/1314647956.db2.gz RFWBGQYQCDMKFP-CMKODMSKSA-N 2 0 333.520 2.939 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001278473428 1314712506 /nfs/dbraw/zinc/71/25/06/1314712506.db2.gz INXLOSOVLQJLCC-ICSRJNTNSA-N 2 0 333.520 2.942 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001278676493 1315484966 /nfs/dbraw/zinc/48/49/66/1315484966.db2.gz HUUOVYLYBMKNEM-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001278703772 1315581660 /nfs/dbraw/zinc/58/16/60/1315581660.db2.gz MKHJUERRNBAVML-HUUCEWRRSA-N 2 0 349.441 2.519 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001278962637 1315989050 /nfs/dbraw/zinc/98/90/50/1315989050.db2.gz SCEYTTIGCYERPC-AEFFLSMTSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C ZINC001278972649 1316004216 /nfs/dbraw/zinc/00/42/16/1316004216.db2.gz GMZDVSVLHKHURO-OALUTQOASA-N 2 0 347.547 2.785 10 30 EFEERP CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC#Cc1ccccc1 ZINC001318576905 1328643032 /nfs/dbraw/zinc/64/30/32/1328643032.db2.gz PNIZTGMAGFDRQT-LJQANCHMSA-N 2 0 343.515 2.500 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@H](C)CC(C)C)CC1 ZINC001263821010 1316566876 /nfs/dbraw/zinc/56/68/76/1316566876.db2.gz KXZKCFIQOYKKFR-UYAOXDASSA-N 2 0 347.547 2.547 10 30 EFEERP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263997865 1316579120 /nfs/dbraw/zinc/57/91/20/1316579120.db2.gz IBGKZIUIMCGUOT-MOPGFXCFSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001264091373 1316588348 /nfs/dbraw/zinc/58/83/48/1316588348.db2.gz ZXDHKIZSERTTRX-KSZLIROESA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001264187196 1316597717 /nfs/dbraw/zinc/59/77/17/1316597717.db2.gz IWTTWRGVKVLFHH-ICSRJNTNSA-N 2 0 333.520 2.751 10 30 EFEERP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001264575940 1316633705 /nfs/dbraw/zinc/63/37/05/1316633705.db2.gz ABOVQVZNVGFZKP-RTBURBONSA-N 2 0 349.563 2.985 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001264585597 1316635719 /nfs/dbraw/zinc/63/57/19/1316635719.db2.gz DONNHQKDUGRFLQ-FGTMMUONSA-N 2 0 347.547 2.900 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001264586495 1316636258 /nfs/dbraw/zinc/63/62/58/1316636258.db2.gz QHSRPEVKMJXHOB-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[NH2+][C@H]1CCCCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001264677890 1316653664 /nfs/dbraw/zinc/65/36/64/1316653664.db2.gz KTMCJFAOUNJISA-KRWDZBQOSA-N 2 0 338.455 2.640 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001264753410 1316668767 /nfs/dbraw/zinc/66/87/67/1316668767.db2.gz HMTKFFBQLIQXAF-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001281087940 1316681260 /nfs/dbraw/zinc/68/12/60/1316681260.db2.gz OQKQDDLQHRWJJY-MJGOQNOKSA-N 2 0 339.499 2.557 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001265329337 1316783382 /nfs/dbraw/zinc/78/33/82/1316783382.db2.gz DRBLCVCPUARIRY-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CC(C)C)CC2)CC1 ZINC001265343584 1316786448 /nfs/dbraw/zinc/78/64/48/1316786448.db2.gz KRPFDOCGFNGUIY-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265390638 1316795794 /nfs/dbraw/zinc/79/57/94/1316795794.db2.gz JMBFLQOVRMLUBB-RBUKOAKNSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265394525 1316797602 /nfs/dbraw/zinc/79/76/02/1316797602.db2.gz DCXDODUQQYBGRZ-ROUUACIJSA-N 2 0 335.536 2.853 10 30 EFEERP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001265394656 1316797665 /nfs/dbraw/zinc/79/76/65/1316797665.db2.gz GGGAMLLWUYAVJB-HXUWFJFHSA-N 2 0 343.515 2.517 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001265407166 1316800672 /nfs/dbraw/zinc/80/06/72/1316800672.db2.gz SBJWGQXFAQHJSZ-ZSXDVEMLSA-N 2 0 333.520 2.747 10 30 EFEERP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CCCCCC)C1 ZINC001265523845 1316819833 /nfs/dbraw/zinc/81/98/33/1316819833.db2.gz QGVCAGPUBZWHGU-UXHICEINSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265697095 1316857920 /nfs/dbraw/zinc/85/79/20/1316857920.db2.gz OCOSTDIRPJXXKC-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001318665437 1328663603 /nfs/dbraw/zinc/66/36/03/1328663603.db2.gz ZKPPDAJNRLYROJ-MSOLQXFVSA-N 2 0 333.520 2.988 10 30 EFEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001318665439 1328663863 /nfs/dbraw/zinc/66/38/63/1328663863.db2.gz ZKPPDAJNRLYROJ-QZTJIDSGSA-N 2 0 333.520 2.988 10 30 EFEERP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001266078656 1317001892 /nfs/dbraw/zinc/00/18/92/1317001892.db2.gz KBVAWQMXKXBVFA-SJORKVTESA-N 2 0 345.487 2.775 10 30 EFEERP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001266078654 1317002727 /nfs/dbraw/zinc/00/27/27/1317002727.db2.gz KBVAWQMXKXBVFA-IAGOWNOFSA-N 2 0 345.487 2.775 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCCCCC)C2)CC1 ZINC001266119507 1317066897 /nfs/dbraw/zinc/06/68/97/1317066897.db2.gz GOPZFFSNXXDNSL-HXUWFJFHSA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001266197067 1317140635 /nfs/dbraw/zinc/14/06/35/1317140635.db2.gz BDWJMSHCCCMOCO-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001266240599 1317189239 /nfs/dbraw/zinc/18/92/39/1317189239.db2.gz YJNKTCUFVDOAJJ-HXUWFJFHSA-N 2 0 343.515 2.951 10 30 EFEERP C=C(C)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001279304445 1317231400 /nfs/dbraw/zinc/23/14/00/1317231400.db2.gz HLLMBZOEQZJAQE-UYAOXDASSA-N 2 0 343.515 2.911 10 30 EFEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001279368270 1317247068 /nfs/dbraw/zinc/24/70/68/1317247068.db2.gz LVCZGLOTVGAYJX-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CCC(C2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001279368271 1317247505 /nfs/dbraw/zinc/24/75/05/1317247505.db2.gz LVCZGLOTVGAYJX-QGZVFWFLSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001279368577 1317248401 /nfs/dbraw/zinc/24/84/01/1317248401.db2.gz XJXFPAKPFXRVCZ-IRXDYDNUSA-N 2 0 333.520 2.796 10 30 EFEERP 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ZINC001280381688 1317535595 /nfs/dbraw/zinc/53/55/95/1317535595.db2.gz VECNEPKVUOPDSB-GUDVDZBRSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001280388103 1317537998 /nfs/dbraw/zinc/53/79/98/1317537998.db2.gz NAAYVMUHAPCCFX-QGZVFWFLSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCCCCC)C2)CC1 ZINC001280392372 1317540270 /nfs/dbraw/zinc/54/02/70/1317540270.db2.gz ZGTMUJBZZROVFX-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001280392183 1317540641 /nfs/dbraw/zinc/54/06/41/1317540641.db2.gz SFLUMQMSORPTGD-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[NH+]1CCc2c(CNC(=O)C[N@@H+](C)CC(C)(C)C)cccc2C1 ZINC001280426754 1317556233 /nfs/dbraw/zinc/55/62/33/1317556233.db2.gz FANZYZWWTUASPF-UHFFFAOYSA-N 2 0 343.515 2.825 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@@H](C)CC(C)C)CCC2)CC1 ZINC001280545984 1317613904 /nfs/dbraw/zinc/61/39/04/1317613904.db2.gz 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C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001281905252 1318619421 /nfs/dbraw/zinc/61/94/21/1318619421.db2.gz IQFRXADKRZJGBT-FBBABVLZSA-N 2 0 341.499 2.809 10 30 EFEERP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001281912615 1318623116 /nfs/dbraw/zinc/62/31/16/1318623116.db2.gz PORJDKPKZVVXHM-VAMGGRTRSA-N 2 0 341.499 2.665 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001282221008 1318784363 /nfs/dbraw/zinc/78/43/63/1318784363.db2.gz XTOWFDGLYKUJDE-JKSUJKDBSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2=CCCCC2)CC1 ZINC001282497622 1318971795 /nfs/dbraw/zinc/97/17/95/1318971795.db2.gz OZPMTWZKLXKDMS-SFHVURJKSA-N 2 0 345.531 2.659 10 30 EFEERP C=CC[NH2+][C@@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001282558690 1318997550 /nfs/dbraw/zinc/99/75/50/1318997550.db2.gz SOLOGFUQGRPKLO-SFHVURJKSA-N 2 0 328.460 2.905 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282834791 1319152673 /nfs/dbraw/zinc/15/26/73/1319152673.db2.gz VZQUEEUGBYNPOQ-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282834790 1319153120 /nfs/dbraw/zinc/15/31/20/1319153120.db2.gz VZQUEEUGBYNPOQ-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001282974113 1319231634 /nfs/dbraw/zinc/23/16/34/1319231634.db2.gz YLYUOQMDBGNKPZ-LJQANCHMSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC001282996235 1319247942 /nfs/dbraw/zinc/24/79/42/1319247942.db2.gz LGVJHYQTPKTGNJ-GHSBBIOCSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001283110236 1319334814 /nfs/dbraw/zinc/33/48/14/1319334814.db2.gz BABJUBNAZDWTCL-FHWLQOOXSA-N 2 0 335.536 2.948 10 30 EFEERP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001283172548 1319395663 /nfs/dbraw/zinc/39/56/63/1319395663.db2.gz DLRMOIRAWHOFIA-ZWKOTPCHSA-N 2 0 333.520 2.539 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC001319284685 1328832644 /nfs/dbraw/zinc/83/26/44/1328832644.db2.gz IEENCJWCZFEKDL-GOSISDBHSA-N 2 0 347.547 2.644 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001284056569 1320169505 /nfs/dbraw/zinc/16/95/05/1320169505.db2.gz HLRSCPHFZYBPJY-QRFRQXIXSA-N 2 0 333.520 2.939 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)Cn3cncc3C)CCC[C@H]12 ZINC001284056887 1320170064 /nfs/dbraw/zinc/17/00/64/1320170064.db2.gz IYRROHBTHAEXNH-VDZJLULYSA-N 2 0 330.476 2.659 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001319405253 1328875532 /nfs/dbraw/zinc/87/55/32/1328875532.db2.gz KYDBXFMSVPIURP-QYZOEREBSA-N 2 0 347.547 2.996 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001284101668 1320195525 /nfs/dbraw/zinc/19/55/25/1320195525.db2.gz KKIRBIOYNXQPEZ-GUDVDZBRSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCCCC[NH+]1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001319408367 1328876111 /nfs/dbraw/zinc/87/61/11/1328876111.db2.gz UVKXGBBJNDGYEW-UHFFFAOYSA-N 2 0 345.531 2.753 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001284242096 1320283144 /nfs/dbraw/zinc/28/31/44/1320283144.db2.gz DMYCVKFIEOLADE-ICSRJNTNSA-N 2 0 347.547 2.642 10 30 EFEERP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1(C)C ZINC001284335946 1320324829 /nfs/dbraw/zinc/32/48/29/1320324829.db2.gz PSIYMFQSRDKMKB-ZWKOTPCHSA-N 2 0 329.488 2.692 10 30 EFEERP C=CCC[C@@H](C)[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001284534154 1320407586 /nfs/dbraw/zinc/40/75/86/1320407586.db2.gz XTODNVUGYLVLFF-IEBWSBKVSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[C@@H](C)[N@@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001284534155 1320408141 /nfs/dbraw/zinc/40/81/41/1320408141.db2.gz XTODNVUGYLVLFF-MJGOQNOKSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001284723206 1320492746 /nfs/dbraw/zinc/49/27/46/1320492746.db2.gz IIPYAZMNCHADKY-SJORKVTESA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001284845905 1320561239 /nfs/dbraw/zinc/56/12/39/1320561239.db2.gz FBIUVOZPJFFFSK-UHFFFAOYSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001284853285 1320562279 /nfs/dbraw/zinc/56/22/79/1320562279.db2.gz PCRJBJDEEOIHRW-SJORKVTESA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001284928899 1320602367 /nfs/dbraw/zinc/60/23/67/1320602367.db2.gz ROVAWVRPWYCLLK-PKOBYXMFSA-N 2 0 333.520 2.964 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001319535427 1328911098 /nfs/dbraw/zinc/91/10/98/1328911098.db2.gz XJNDUCLAAUMXQA-SXLOBPIMSA-N 2 0 343.515 2.735 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCCC1 ZINC001319651769 1328938955 /nfs/dbraw/zinc/93/89/55/1328938955.db2.gz QRGYGMOOAOUMRR-RBUKOAKNSA-N 2 0 333.520 2.537 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCCC1 ZINC001319657676 1328940926 /nfs/dbraw/zinc/94/09/26/1328940926.db2.gz SWEPOIKQADPZEQ-PMACEKPBSA-N 2 0 347.547 2.785 10 30 EFEERP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001319822439 1329004071 /nfs/dbraw/zinc/00/40/71/1329004071.db2.gz YEAQSMVJMIXXMU-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001293045576 1322178066 /nfs/dbraw/zinc/17/80/66/1322178066.db2.gz JRJVLFMKBSCPGE-UHFFFAOYSA-N 2 0 349.906 2.882 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319862885 1329020012 /nfs/dbraw/zinc/02/00/12/1329020012.db2.gz HYOZFJRNJVKVTF-XLIONFOSSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC001320092730 1329074637 /nfs/dbraw/zinc/07/46/37/1329074637.db2.gz UXKPXUOKZLOUTF-HXUWFJFHSA-N 2 0 343.515 2.996 10 30 EFEERP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001491851070 1323947198 /nfs/dbraw/zinc/94/71/98/1323947198.db2.gz FHVJSYWSGUKNJT-ICSRJNTNSA-N 2 0 335.536 2.881 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492085204 1324245026 /nfs/dbraw/zinc/24/50/26/1324245026.db2.gz MNBMXEBJTORPBZ-YJBOKZPZSA-N 2 0 327.488 2.650 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001405931749 1366533481 /nfs/dbraw/zinc/53/34/81/1366533481.db2.gz QHEAMDDNOZIIBE-OWCLPIDISA-N 2 0 329.916 2.590 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001316759954 1325113389 /nfs/dbraw/zinc/11/33/89/1325113389.db2.gz YUNOIFTUWUSNMX-CEXWTWQISA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001316771720 1325124671 /nfs/dbraw/zinc/12/46/71/1325124671.db2.gz NSYOGDKJCSLESE-DLBZAZTESA-N 2 0 327.488 2.603 10 30 EFEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001316775208 1325130003 /nfs/dbraw/zinc/13/00/03/1325130003.db2.gz YMXNOPUETYCANL-OALUTQOASA-N 2 0 333.520 2.633 10 30 EFEERP C=CCC[N@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316901892 1325302409 /nfs/dbraw/zinc/30/24/09/1325302409.db2.gz CAJIOEOIGZCQHU-GOSISDBHSA-N 2 0 327.488 2.603 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001317004810 1325475100 /nfs/dbraw/zinc/47/51/00/1325475100.db2.gz DQQMJUDFMPRDEI-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317006897 1325477463 /nfs/dbraw/zinc/47/74/63/1325477463.db2.gz YJWWWEIKWJTXFB-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001317013481 1325482861 /nfs/dbraw/zinc/48/28/61/1325482861.db2.gz OGHROYILTWYOHD-MJGOQNOKSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001317104364 1325572574 /nfs/dbraw/zinc/57/25/74/1325572574.db2.gz JAMYDBFUMGAGFD-OALUTQOASA-N 2 0 333.520 2.607 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001374928318 1342245736 /nfs/dbraw/zinc/24/57/36/1342245736.db2.gz NGHTZWLLRBNDGH-GOEBONIOSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317141106 1327634100 /nfs/dbraw/zinc/63/41/00/1327634100.db2.gz XEUBMKQEMNQUMH-GOSISDBHSA-N 2 0 335.536 2.903 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317192944 1327714084 /nfs/dbraw/zinc/71/40/84/1327714084.db2.gz JBDTVWLMLXJABK-IBGZPJMESA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317321033 1327849815 /nfs/dbraw/zinc/84/98/15/1327849815.db2.gz CDVSKFWNTVKQNM-HKUYNNGSSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001317323232 1327852970 /nfs/dbraw/zinc/85/29/70/1327852970.db2.gz UERCRXJUIBEVOA-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001317331479 1327861792 /nfs/dbraw/zinc/86/17/92/1327861792.db2.gz OHZXGIKWPJMBIO-SFHVURJKSA-N 2 0 343.515 2.809 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001317471961 1328061160 /nfs/dbraw/zinc/06/11/60/1328061160.db2.gz SGDJDJMNNGYZKA-OALUTQOASA-N 2 0 347.547 2.596 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001321543754 1329394439 /nfs/dbraw/zinc/39/44/39/1329394439.db2.gz ZMFPLXABMOIFPN-XLIONFOSSA-N 2 0 341.499 2.502 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001317712206 1328321506 /nfs/dbraw/zinc/32/15/06/1328321506.db2.gz WVOBDHZHAVUEIL-FXAWDEMLSA-N 2 0 341.499 2.532 10 30 EFEERP C#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccccc1 ZINC001317722496 1328331701 /nfs/dbraw/zinc/33/17/01/1328331701.db2.gz VAWOPTWPMMQVBT-LJQANCHMSA-N 2 0 341.499 2.579 10 30 EFEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001317772871 1328369748 /nfs/dbraw/zinc/36/97/48/1328369748.db2.gz MYVQIBAYUDOOOG-IBGZPJMESA-N 2 0 333.520 2.589 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848498 1328416483 /nfs/dbraw/zinc/41/64/83/1328416483.db2.gz MTIFTUYRHZXRCM-QUCCMNQESA-N 2 0 345.531 2.587 10 30 EFEERP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001317877199 1328434421 /nfs/dbraw/zinc/43/44/21/1328434421.db2.gz UONYYWQBRMLHIO-OALUTQOASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCO[C@H]1CC[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001322278195 1329442878 /nfs/dbraw/zinc/44/28/78/1329442878.db2.gz VQVSQZXMPRXPRM-PMACEKPBSA-N 2 0 330.472 2.554 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCC2CCCC2)CC1 ZINC001322308533 1329445273 /nfs/dbraw/zinc/44/52/73/1329445273.db2.gz YOEIGUTYKGSNFN-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322360982 1329452072 /nfs/dbraw/zinc/45/20/72/1329452072.db2.gz REVRPXCZPAUKBA-RTBURBONSA-N 2 0 333.520 2.559 10 30 EFEERP C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC001324080040 1329597412 /nfs/dbraw/zinc/59/74/12/1329597412.db2.gz DRSDPVPHOOUVJO-YLJYHZDGSA-N 2 0 343.515 2.950 10 30 EFEERP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCCC(C)C)CC1 ZINC001324419776 1329625265 /nfs/dbraw/zinc/62/52/65/1329625265.db2.gz FKEBPWJPQZYPDG-IBGZPJMESA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001324431919 1329626785 /nfs/dbraw/zinc/62/67/85/1329626785.db2.gz KENSGCZVFKGQQC-RURPWVQCSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001324440195 1329627745 /nfs/dbraw/zinc/62/77/45/1329627745.db2.gz RVTSXIICSRBHKJ-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCCC(C)C)C2)CC1 ZINC001325468286 1329690747 /nfs/dbraw/zinc/69/07/47/1329690747.db2.gz UNIGKDSOTUDAGE-UYAOXDASSA-N 2 0 347.547 2.594 10 30 EFEERP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001325556741 1329696776 /nfs/dbraw/zinc/69/67/76/1329696776.db2.gz UVGRQRMAQYZYRE-HKUYNNGSSA-N 2 0 337.552 2.983 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001325679029 1329705976 /nfs/dbraw/zinc/70/59/76/1329705976.db2.gz GTLQFXKOWXXEOC-WAAHFUDESA-N 2 0 335.536 2.948 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001325754229 1329711034 /nfs/dbraw/zinc/71/10/34/1329711034.db2.gz PUNCIDNECSTWNI-YSTOQKLRSA-N 2 0 347.547 2.852 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001325945780 1329727209 /nfs/dbraw/zinc/72/72/09/1329727209.db2.gz IXRUNPOWRHNOKG-VYJAJWGXSA-N 2 0 347.547 2.994 10 30 EFEERP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001326436564 1329756412 /nfs/dbraw/zinc/75/64/12/1329756412.db2.gz DWOSJPHWSOHSKS-KRWDZBQOSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001326449475 1329757819 /nfs/dbraw/zinc/75/78/19/1329757819.db2.gz MIXVVXVTVHUXGC-HXUWFJFHSA-N 2 0 341.499 2.653 10 30 EFEERP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCCC1 ZINC001326494704 1330304063 /nfs/dbraw/zinc/30/40/63/1330304063.db2.gz QKAXGJAPONDCJK-UHFFFAOYSA-N 2 0 341.499 2.634 10 30 EFEERP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327307401 1330457015 /nfs/dbraw/zinc/45/70/15/1330457015.db2.gz CEHRSJDNOCXAGB-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001327514092 1330493318 /nfs/dbraw/zinc/49/33/18/1330493318.db2.gz RXOBBVDYJQLPFW-FXAWDEMLSA-N 2 0 343.515 2.836 10 30 EFEERP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C(C)(C)C1 ZINC001328099814 1330556245 /nfs/dbraw/zinc/55/62/45/1330556245.db2.gz ZEGSZCSFSHVWSU-SFHVURJKSA-N 2 0 335.536 2.739 10 30 EFEERP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001328686147 1330615677 /nfs/dbraw/zinc/61/56/77/1330615677.db2.gz BPCNLNKKLAKCKM-SMMRIJLZSA-N 2 0 341.499 2.665 10 30 EFEERP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001329306542 1330692802 /nfs/dbraw/zinc/69/28/02/1330692802.db2.gz FVJJSCPIJGCCBD-UHFFFAOYSA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001329762285 1330734417 /nfs/dbraw/zinc/73/44/17/1330734417.db2.gz WNDDXVHFKBLKST-FQEVSTJZSA-N 2 0 347.547 2.594 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001329940516 1330754167 /nfs/dbraw/zinc/75/41/67/1330754167.db2.gz XVPXLRLWAXXOKY-IBGZPJMESA-N 2 0 347.547 2.883 10 30 EFEERP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001331058655 1330789946 /nfs/dbraw/zinc/78/99/46/1330789946.db2.gz DVHSXNMPYXLNDN-RTBURBONSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001332146637 1330928230 /nfs/dbraw/zinc/92/82/30/1330928230.db2.gz NLTYIRPGUFOCRI-IPMKNSEASA-N 2 0 333.520 2.511 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(CC)CC)C(C)(C)C2)CC1 ZINC001332454239 1330973522 /nfs/dbraw/zinc/97/35/22/1330973522.db2.gz TZABVIOUFICREY-LJQANCHMSA-N 2 0 347.547 2.594 10 30 EFEERP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001333016100 1331065899 /nfs/dbraw/zinc/06/58/99/1331065899.db2.gz VWKGVHVEEDWQTF-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c(s1)C[NH2+]CC2)C(C)C ZINC001341661040 1332274492 /nfs/dbraw/zinc/27/44/92/1332274492.db2.gz BBFXSJCALGEAQF-MRXNPFEDSA-N 2 0 347.528 2.822 10 30 EFEERP C=CCC[NH+]1CCC(N(CCC)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001479995967 1333013579 /nfs/dbraw/zinc/01/35/79/1333013579.db2.gz ZDKAQQQESPGYNP-UHFFFAOYSA-N 2 0 335.536 2.997 10 30 EFEERP C[NH+]=C(NCc1ccco1)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000849097955 1335551109 /nfs/dbraw/zinc/55/11/09/1335551109.db2.gz QUUINQDDCBQQAT-FQEVSTJZSA-N 2 0 340.471 2.999 10 30 EFEERP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414060279 1335593587 /nfs/dbraw/zinc/59/35/87/1335593587.db2.gz ADVYYRQRYZYMPL-QGZVFWFLSA-N 2 0 327.472 2.932 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001366469355 1337612529 /nfs/dbraw/zinc/61/25/29/1337612529.db2.gz GAXQCWWQBFKWKR-ZBFHGGJFSA-N 2 0 327.900 2.630 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001368880067 1339815558 /nfs/dbraw/zinc/81/55/58/1339815558.db2.gz RGOWFMYHYZKBFX-LSDHHAIUSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001370957101 1340305277 /nfs/dbraw/zinc/30/52/77/1340305277.db2.gz NKCJQQYEKBJWIR-DLBZAZTESA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001371800320 1340692746 /nfs/dbraw/zinc/69/27/46/1340692746.db2.gz XUTZRSQBWJTYPL-CQSZACIVSA-N 2 0 329.916 2.876 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001372990632 1340865582 /nfs/dbraw/zinc/86/55/82/1340865582.db2.gz GJXAYDGIHOOKDY-DOTOQJQBSA-N 2 0 341.927 2.828 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001375585914 1342905231 /nfs/dbraw/zinc/90/52/31/1342905231.db2.gz GJCHGOVOUZVTSH-PVAVHDDUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)CC(C)(C)C1 ZINC001375691599 1342933095 /nfs/dbraw/zinc/93/30/95/1342933095.db2.gz XRFWXIXYKKNNDM-HNNXBMFYSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001375792660 1343020067 /nfs/dbraw/zinc/02/00/67/1343020067.db2.gz ZIGWHNJIMQWNLF-IRXDYDNUSA-N 2 0 341.927 2.876 10 30 EFEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001378482981 1345115828 /nfs/dbraw/zinc/11/58/28/1345115828.db2.gz UWECPVQPZUJXIZ-UHFFFAOYSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001378844825 1345356797 /nfs/dbraw/zinc/35/67/97/1345356797.db2.gz LUWWNGPWHPWHLF-BFYDXBDKSA-N 2 0 339.911 2.630 10 30 EFEERP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001394008937 1357381936 /nfs/dbraw/zinc/38/19/36/1357381936.db2.gz MTZHUWSNPQJMHF-AQFXKWCLSA-N 2 0 341.927 2.973 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001495987152 1352947810 /nfs/dbraw/zinc/94/78/10/1352947810.db2.gz OWBUSPIPYMGPMK-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001388839185 1353079291 /nfs/dbraw/zinc/07/92/91/1353079291.db2.gz NWSPTUPIOGGIGA-HOTGVXAUSA-N 2 0 343.943 2.932 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001392159008 1355812990 /nfs/dbraw/zinc/81/29/90/1355812990.db2.gz DFMLSXXHYJUVSF-IRXDYDNUSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001393086726 1356580139 /nfs/dbraw/zinc/58/01/39/1356580139.db2.gz HBZYIPKQPQMWKU-SFHVURJKSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001393405624 1356823910 /nfs/dbraw/zinc/82/39/10/1356823910.db2.gz VKNOWHGNIIBFDW-WKILWMFISA-N 2 0 329.916 2.591 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001394449565 1357830334 /nfs/dbraw/zinc/83/03/34/1357830334.db2.gz MPQGQNFOBCLHJN-RDJZCZTQSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001394710068 1358037256 /nfs/dbraw/zinc/03/72/56/1358037256.db2.gz DIHBIIQXEYPPQB-INIZCTEOSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001437048691 1387387543 /nfs/dbraw/zinc/38/75/43/1387387543.db2.gz JEBNCHLDNLJIPD-DLBZAZTESA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001398447645 1360564857 /nfs/dbraw/zinc/56/48/57/1360564857.db2.gz CPEMIBHEURJHHU-IAGOWNOFSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001398757797 1360767037 /nfs/dbraw/zinc/76/70/37/1360767037.db2.gz DVLYVNJFWIRQJU-CVEARBPZSA-N 2 0 327.900 2.584 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001400208620 1361844840 /nfs/dbraw/zinc/84/48/40/1361844840.db2.gz XUCIPJIUEJEMBQ-SJORKVTESA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001403428405 1364632026 /nfs/dbraw/zinc/63/20/26/1364632026.db2.gz ZHBRANSUKWUXNG-YESZJQIVSA-N 2 0 341.927 2.688 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001403603654 1364808367 /nfs/dbraw/zinc/80/83/67/1364808367.db2.gz AGMBPPKKXORRFQ-RDJZCZTQSA-N 2 0 337.895 2.868 10 30 EFEERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C#N)C(C)(C)C)[NH+](C)C ZINC001403977498 1365125750 /nfs/dbraw/zinc/12/57/50/1365125750.db2.gz BBYDWZNHHJYLGW-QZTJIDSGSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001419406621 1375233577 /nfs/dbraw/zinc/23/35/77/1375233577.db2.gz UJMAGCURNRJEQJ-KRWDZBQOSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001422070201 1379571372 /nfs/dbraw/zinc/57/13/72/1379571372.db2.gz AXMRYECNOXMEFP-MRXNPFEDSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001422353318 1379962515 /nfs/dbraw/zinc/96/25/15/1379962515.db2.gz MLFHMNXYTUFBGX-RYUDHWBXSA-N 2 0 329.897 2.659 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001423544556 1382040875 /nfs/dbraw/zinc/04/08/75/1382040875.db2.gz IUYHUEXSEZUMEX-INIZCTEOSA-N 2 0 341.927 2.878 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001426148232 1384029616 /nfs/dbraw/zinc/02/96/16/1384029616.db2.gz GVPASYXIHSZYFZ-AWEZNQCLSA-N 2 0 329.916 2.734 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001506866313 1406373781 /nfs/dbraw/zinc/37/37/81/1406373781.db2.gz UOIVXYYGODOOLR-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001440515452 1389716864 /nfs/dbraw/zinc/71/68/64/1389716864.db2.gz GCWACDFEJFOMLL-INIZCTEOSA-N 2 0 341.927 2.974 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001506883601 1406401937 /nfs/dbraw/zinc/40/19/37/1406401937.db2.gz REWZZFQQAUQVJZ-KOMQPUFPSA-N 2 0 335.517 2.874 10 30 EFEERP C#CC[NH2+]CCC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001506979480 1406540729 /nfs/dbraw/zinc/54/07/29/1406540729.db2.gz QGLFVAHQJQHSIF-FQEVSTJZSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@@H+](C)CC ZINC001565942363 1415460554 /nfs/dbraw/zinc/46/05/54/1415460554.db2.gz YELKKVSXRPBXLR-GDBMZVCRSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479524366 1397750781 /nfs/dbraw/zinc/75/07/81/1397750781.db2.gz QDXWOQUBQVTQTM-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001479747921 1397808106 /nfs/dbraw/zinc/80/81/06/1397808106.db2.gz JEKBDAOYHIJFDG-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001479887803 1398002159 /nfs/dbraw/zinc/00/21/59/1398002159.db2.gz RAKMTNSOJCTIAP-QFBILLFUSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001479892709 1398006022 /nfs/dbraw/zinc/00/60/22/1398006022.db2.gz BKYFHWGDBCQLRF-KRWDZBQOSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001479994187 1398080150 /nfs/dbraw/zinc/08/01/50/1398080150.db2.gz GHROXRXIZHLHKK-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001480065751 1398108954 /nfs/dbraw/zinc/10/89/54/1398108954.db2.gz KNODVWKDJOLEKM-LJQANCHMSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480082369 1398118406 /nfs/dbraw/zinc/11/84/06/1398118406.db2.gz UZUKTRQATHTHDW-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001480086407 1398123762 /nfs/dbraw/zinc/12/37/62/1398123762.db2.gz XVRIGEYVBDAJNI-APWZRJJASA-N 2 0 339.499 2.555 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480154947 1398130204 /nfs/dbraw/zinc/13/02/04/1398130204.db2.gz DFKWPEIUHMMVEX-LNLFQRSKSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001480158422 1398132495 /nfs/dbraw/zinc/13/24/95/1398132495.db2.gz PHMSNZSCMDOPKL-NNFUDEMPSA-N 2 0 339.499 2.790 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480660869 1398269052 /nfs/dbraw/zinc/26/90/52/1398269052.db2.gz JLEVCUWIZWFOQJ-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480823459 1398334570 /nfs/dbraw/zinc/33/45/70/1398334570.db2.gz JHWVQHNLHOVYHQ-RTBURBONSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001493266342 1398574989 /nfs/dbraw/zinc/57/49/89/1398574989.db2.gz FGHHZWZSLBRAMR-GHOSXJJBSA-N 2 0 345.531 2.516 10 30 EFEERP C=C(C)C[N@@H+](CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(C)C ZINC001493859158 1398929130 /nfs/dbraw/zinc/92/91/30/1398929130.db2.gz NEZXDEWBBCRGNW-GOSISDBHSA-N 2 0 347.507 2.583 10 30 EFEERP C=C(C)C[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001493869564 1398937512 /nfs/dbraw/zinc/93/75/12/1398937512.db2.gz DCYNXQODWVAXRC-IBGZPJMESA-N 2 0 341.515 2.992 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001493901801 1398967160 /nfs/dbraw/zinc/96/71/60/1398967160.db2.gz YIMBSPZWXBJLHP-LJQANCHMSA-N 2 0 329.488 2.740 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001493904413 1398969388 /nfs/dbraw/zinc/96/93/88/1398969388.db2.gz HEPNZFDFKGLBSD-RTBURBONSA-N 2 0 329.488 2.740 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001494145997 1399166105 /nfs/dbraw/zinc/16/61/05/1399166105.db2.gz WCEGYGCGPGJUDB-QZTJIDSGSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494146555 1399166303 /nfs/dbraw/zinc/16/63/03/1399166303.db2.gz VAYLMZKQUGNODW-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001494197109 1399205138 /nfs/dbraw/zinc/20/51/38/1399205138.db2.gz VSFDJZGWIZUSEJ-LJQANCHMSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001494213752 1399217780 /nfs/dbraw/zinc/21/77/80/1399217780.db2.gz AURFYCXZRUDGKM-HZPDHXFCSA-N 2 0 341.927 2.782 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001494214190 1399218436 /nfs/dbraw/zinc/21/84/36/1399218436.db2.gz HCZWIYRRXGYKFR-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001495167130 1399710311 /nfs/dbraw/zinc/71/03/11/1399710311.db2.gz FQDDBTABFKMUNP-JKSUJKDBSA-N 2 0 339.911 2.774 10 30 EFEERP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001495361537 1399906095 /nfs/dbraw/zinc/90/60/95/1399906095.db2.gz YUYNONLEZUGZAF-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001495414530 1399959997 /nfs/dbraw/zinc/95/99/97/1399959997.db2.gz BLHDZBIXRNCVBE-FQEVSTJZSA-N 2 0 345.531 2.635 10 30 EFEERP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001495415608 1399960876 /nfs/dbraw/zinc/96/08/76/1399960876.db2.gz MALLMXIQRSECMQ-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001495417440 1399963063 /nfs/dbraw/zinc/96/30/63/1399963063.db2.gz BDCMIXAKJCCGHC-RBUKOAKNSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001495461470 1400000025 /nfs/dbraw/zinc/00/00/25/1400000025.db2.gz FSDCKMPQEKMUFT-IYARVYRRSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(C)CC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001495519142 1400048330 /nfs/dbraw/zinc/04/83/30/1400048330.db2.gz AJDGHDUYRCPFCU-UHFFFAOYSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001495603205 1400111612 /nfs/dbraw/zinc/11/16/12/1400111612.db2.gz VMERSLVTBIDAIF-SFHVURJKSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001495978328 1400394971 /nfs/dbraw/zinc/39/49/71/1400394971.db2.gz MJICACSGRKPTDU-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001496313502 1400629419 /nfs/dbraw/zinc/62/94/19/1400629419.db2.gz XGBPUDLHRHHJEU-MOPGFXCFSA-N 2 0 333.520 2.539 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001496320765 1400636991 /nfs/dbraw/zinc/63/69/91/1400636991.db2.gz QGSXLRAJQLZQMN-UXHICEINSA-N 2 0 347.547 2.786 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001496443809 1400734057 /nfs/dbraw/zinc/73/40/57/1400734057.db2.gz IIGOTVDIMDNVDQ-ROUUACIJSA-N 2 0 347.547 2.879 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001496453211 1400742325 /nfs/dbraw/zinc/74/23/25/1400742325.db2.gz XXHQUGRDUDUHGD-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484683 1400762640 /nfs/dbraw/zinc/76/26/40/1400762640.db2.gz CZPXGWHJVYQZRW-GOEBONIOSA-N 2 0 329.916 2.688 10 30 EFEERP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001496504903 1400780336 /nfs/dbraw/zinc/78/03/36/1400780336.db2.gz MEKOVEOUJNYQOA-FQEVSTJZSA-N 2 0 345.531 2.587 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001496866803 1401062727 /nfs/dbraw/zinc/06/27/27/1401062727.db2.gz JAOXCWCQILQADB-RBUKOAKNSA-N 2 0 347.547 2.975 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001496899548 1401086859 /nfs/dbraw/zinc/08/68/59/1401086859.db2.gz SXEMYXBLFOUOEV-ICSRJNTNSA-N 2 0 343.515 2.855 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001496899549 1401087138 /nfs/dbraw/zinc/08/71/38/1401087138.db2.gz SXEMYXBLFOUOEV-QUCCMNQESA-N 2 0 343.515 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC/C=C\CC)CC1 ZINC001496918678 1401101711 /nfs/dbraw/zinc/10/17/11/1401101711.db2.gz QKCWEQXIWBUTDV-DXPXIUTNSA-N 2 0 345.531 2.562 10 30 EFEERP C=C(Cl)C[NH2+]CCN(CC)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001497414073 1401358150 /nfs/dbraw/zinc/35/81/50/1401358150.db2.gz GIPOSYAXEFNKJG-UHFFFAOYSA-N 2 0 329.916 2.830 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001507939186 1407217075 /nfs/dbraw/zinc/21/70/75/1407217075.db2.gz NPAOTKXSFRUYIX-MJGOQNOKSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001499477774 1402632753 /nfs/dbraw/zinc/63/27/53/1402632753.db2.gz HNJMFDHGKWJAQV-WOJBJXKFSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001499495891 1402642802 /nfs/dbraw/zinc/64/28/02/1402642802.db2.gz LNIRDKHAFKGISB-AYHJJNSGSA-N 2 0 331.504 2.550 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001499530601 1402665371 /nfs/dbraw/zinc/66/53/71/1402665371.db2.gz TZPRRJNZZQNGCB-FQEVSTJZSA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001499584746 1402700518 /nfs/dbraw/zinc/70/05/18/1402700518.db2.gz JOWZQBAPVPDJSY-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499613663 1402718910 /nfs/dbraw/zinc/71/89/10/1402718910.db2.gz GNQMRDBVSHPGBR-PKOBYXMFSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001499620210 1402724369 /nfs/dbraw/zinc/72/43/69/1402724369.db2.gz SZNIRRATNYBLAA-TZIWHRDSSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001499926532 1402857628 /nfs/dbraw/zinc/85/76/28/1402857628.db2.gz KUKAFXBXPNFBCP-HXUWFJFHSA-N 2 0 343.515 2.951 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001500030042 1402905875 /nfs/dbraw/zinc/90/58/75/1402905875.db2.gz WRNGJLOQAGLCEU-FQEVSTJZSA-N 2 0 345.531 2.587 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001500038143 1402908990 /nfs/dbraw/zinc/90/89/90/1402908990.db2.gz VUGNYQKSYULYBJ-QWFCFKBJSA-N 2 0 345.531 2.608 10 30 EFEERP C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCC(=C)C)CC1 ZINC001500052203 1402915004 /nfs/dbraw/zinc/91/50/04/1402915004.db2.gz UUSBVGGRDOCCFA-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001500371853 1403080489 /nfs/dbraw/zinc/08/04/89/1403080489.db2.gz CDRIXXWJZXZYML-UYAOXDASSA-N 2 0 335.536 2.903 10 30 EFEERP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001500519396 1403190706 /nfs/dbraw/zinc/19/07/06/1403190706.db2.gz NWNDLVDPHWZGPJ-CTNGQTDRSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[NH+]1CCC(C2(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001508161660 1407322532 /nfs/dbraw/zinc/32/25/32/1407322532.db2.gz DWOLQTDBPYONKT-IRXDYDNUSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001501015259 1403405355 /nfs/dbraw/zinc/40/53/55/1403405355.db2.gz AMQTUTKYAWAUAV-WOJBJXKFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1CC ZINC001501022834 1403410337 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0 329.916 2.545 10 30 EFEERP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001501676201 1403706818 /nfs/dbraw/zinc/70/68/18/1403706818.db2.gz IOQDTDMIUWNODU-HNNXBMFYSA-N 2 0 346.434 2.857 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001501746799 1403762909 /nfs/dbraw/zinc/76/29/09/1403762909.db2.gz RQYSTQKNENAZEY-MSOLQXFVSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC001502010471 1403945308 /nfs/dbraw/zinc/94/53/08/1403945308.db2.gz UNPHRXTVKBPNJP-UHFFFAOYSA-N 2 0 329.488 2.957 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001502545670 1404235171 /nfs/dbraw/zinc/23/51/71/1404235171.db2.gz FKBFJCWRGOYSNW-AZUAARDMSA-N 2 0 333.520 2.609 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C2)CC1 ZINC001502759578 1404328565 /nfs/dbraw/zinc/32/85/65/1404328565.db2.gz IYJLUFJFVCOWDS-HKUYNNGSSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C(C)(C)C1 ZINC001502836515 1404394589 /nfs/dbraw/zinc/39/45/89/1404394589.db2.gz PYSFGMLPQZIHTI-WBVHZDCISA-N 2 0 332.492 2.763 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001503691273 1404500042 /nfs/dbraw/zinc/50/00/42/1404500042.db2.gz LLGXKOOTBNYLMA-RTBURBONSA-N 2 0 329.488 2.618 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001505432803 1404596772 /nfs/dbraw/zinc/59/67/72/1404596772.db2.gz SSNBTDGVKMRIOQ-MRXNPFEDSA-N 2 0 335.517 2.922 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001505476347 1404713689 /nfs/dbraw/zinc/71/36/89/1404713689.db2.gz XEEPDHARUFNRNC-HXUWFJFHSA-N 2 0 347.547 2.692 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2CCC(C)CC2)CC1 ZINC001506065175 1405425695 /nfs/dbraw/zinc/42/56/95/1405425695.db2.gz KUZIYNHLYFZAEK-JLAWEPINSA-N 2 0 347.547 2.594 10 30 EFEERP C=C(C)CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001506179565 1405510266 /nfs/dbraw/zinc/51/02/66/1405510266.db2.gz RIVLUYATACFVPN-RTBURBONSA-N 2 0 335.536 2.757 10 30 EFEERP C=C(C)CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001506522311 1405902145 /nfs/dbraw/zinc/90/21/45/1405902145.db2.gz MNNHDMSPVLNNMT-IBGZPJMESA-N 2 0 333.520 2.847 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001506564023 1405969090 /nfs/dbraw/zinc/96/90/90/1405969090.db2.gz OHXBARXSKBKLFB-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001506576233 1405992655 /nfs/dbraw/zinc/99/26/55/1405992655.db2.gz RLIXAZFKVVSDBA-RTBURBONSA-N 2 0 333.520 2.635 10 30 EFEERP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](F)C[NH+](CC)CC)C2)CC1 ZINC001565922786 1415153980 /nfs/dbraw/zinc/15/39/80/1415153980.db2.gz STBTUIPEZKVNRZ-DLBZAZTESA-N 2 0 339.499 2.555 10 30 EFEERP C=CCCC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)CCC ZINC001565994392 1415474155 /nfs/dbraw/zinc/47/41/55/1415474155.db2.gz FYFGWAMWNBRVRG-NZSAHSFTSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001565994805 1415475224 /nfs/dbraw/zinc/47/52/24/1415475224.db2.gz KLPOLZDETNHKKG-QRQLOZEOSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001566002273 1415479105 /nfs/dbraw/zinc/47/91/05/1415479105.db2.gz VTYOLRLXDNLBFO-LSDHHAIUSA-N 2 0 349.441 2.519 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001566055457 1415494315 /nfs/dbraw/zinc/49/43/15/1415494315.db2.gz WOPQIPJSHNLIMD-AABGKKOBSA-N 2 0 347.547 2.853 10 30 EFEERP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001566077889 1415507820 /nfs/dbraw/zinc/50/78/20/1415507820.db2.gz RLKXKSGVIVXNPE-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001566604267 1415690002 /nfs/dbraw/zinc/69/00/02/1415690002.db2.gz TZXKFVPBCNFWQI-UHFFFAOYSA-N 2 0 347.547 2.739 10 30 EFEERP CC#CC[NH+]1CCC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001566609640 1415693740 /nfs/dbraw/zinc/69/37/40/1415693740.db2.gz YJYALNPBFYBUCV-UHFFFAOYSA-N 2 0 333.520 2.586 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001566615373 1415697297 /nfs/dbraw/zinc/69/72/97/1415697297.db2.gz LTRAYWKZPJOAJJ-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001566615370 1415697552 /nfs/dbraw/zinc/69/75/52/1415697552.db2.gz LTRAYWKZPJOAJJ-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001566692290 1415734131 /nfs/dbraw/zinc/73/41/31/1415734131.db2.gz DNJZQLIQBOALFR-QGZVFWFLSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001566692289 1415734225 /nfs/dbraw/zinc/73/42/25/1415734225.db2.gz DNJZQLIQBOALFR-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH+]1CCC(N(CCC)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001566699059 1415737826 /nfs/dbraw/zinc/73/78/26/1415737826.db2.gz AENNJXQJYJUPBM-QZTJIDSGSA-N 2 0 333.520 2.586 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001566699977 1415738539 /nfs/dbraw/zinc/73/85/39/1415738539.db2.gz UUFGSODAYJEWMT-AZUAARDMSA-N 2 0 345.531 2.730 10 30 EFEERP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566756587 1415765023 /nfs/dbraw/zinc/76/50/23/1415765023.db2.gz RUYFDNHQJSYLIA-QRVBRYPASA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001566759044 1415766331 /nfs/dbraw/zinc/76/63/31/1415766331.db2.gz YXJOMQPCMJZMNM-GBESFXJTSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566878476 1415819646 /nfs/dbraw/zinc/81/96/46/1415819646.db2.gz QVPHKXQLYKVDFC-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566878475 1415819873 /nfs/dbraw/zinc/81/98/73/1415819873.db2.gz QVPHKXQLYKVDFC-QFBILLFUSA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001566895334 1415828390 /nfs/dbraw/zinc/82/83/90/1415828390.db2.gz GTYGCOPIPBPIII-PKOBYXMFSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001566972955 1415883209 /nfs/dbraw/zinc/88/32/09/1415883209.db2.gz CDHDGKYXRSANOY-UHZRXMQZSA-N 2 0 345.531 2.796 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001567155870 1415956061 /nfs/dbraw/zinc/95/60/61/1415956061.db2.gz ZDOPJCHQOYNXNH-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567203235 1415994143 /nfs/dbraw/zinc/99/41/43/1415994143.db2.gz PXXZJAJDUBLNIA-IBGZPJMESA-N 2 0 329.488 2.617 10 30 EFEERP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001567230540 1416003883 /nfs/dbraw/zinc/00/38/83/1416003883.db2.gz KIQKNUWCQYNMOA-QAPCUYQASA-N 2 0 327.488 2.650 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001567255745 1416027058 /nfs/dbraw/zinc/02/70/58/1416027058.db2.gz XCMAEDDCQJCLOJ-ICSRJNTNSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567415501 1416125473 /nfs/dbraw/zinc/12/54/73/1416125473.db2.gz KIDNLYHOVNTFAP-GOSISDBHSA-N 2 0 333.520 2.513 10 30 EFEERP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001567627290 1416215960 /nfs/dbraw/zinc/21/59/60/1416215960.db2.gz RJQHWHIRYHTYJZ-PXNSSMCTSA-N 2 0 345.531 2.633 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001567630716 1416217705 /nfs/dbraw/zinc/21/77/05/1416217705.db2.gz XTUVHYLDEFNDQJ-SFHVURJKSA-N 2 0 343.515 2.564 10 30 EFEERP CC[C@@H](C(=O)NCCC[N@H+](CC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001567651065 1416230941 /nfs/dbraw/zinc/23/09/41/1416230941.db2.gz AERDXBXTHYMZMB-FQEVSTJZSA-N 2 0 343.515 2.595 10 30 EFEERP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccc(C(C)C)cc1 ZINC001567654493 1416233608 /nfs/dbraw/zinc/23/36/08/1416233608.db2.gz SMLWHXOBIOJLTC-IBGZPJMESA-N 2 0 329.488 2.839 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001567660386 1416234960 /nfs/dbraw/zinc/23/49/60/1416234960.db2.gz ZTSXYBNAOOCWJS-IBGZPJMESA-N 2 0 341.499 2.886 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC001567661488 1416235541 /nfs/dbraw/zinc/23/55/41/1416235541.db2.gz ZPSLPRJVEMWJGI-MOPGFXCFSA-N 2 0 329.488 2.740 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567702420 1416254505 /nfs/dbraw/zinc/25/45/05/1416254505.db2.gz CUZDPZZAJJECES-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567702423 1416254638 /nfs/dbraw/zinc/25/46/38/1416254638.db2.gz CUZDPZZAJJECES-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001567703519 1416255302 /nfs/dbraw/zinc/25/53/02/1416255302.db2.gz VKZZHTZWGMRURX-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567703121 1416255556 /nfs/dbraw/zinc/25/55/56/1416255556.db2.gz PMCVUFSOHTVZHJ-MRXNPFEDSA-N 2 0 326.444 2.661 10 30 EFEERP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001567713157 1416258425 /nfs/dbraw/zinc/25/84/25/1416258425.db2.gz XTYKVLLIGLCGRW-HKUYNNGSSA-N 2 0 329.488 2.694 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567735820 1416264420 /nfs/dbraw/zinc/26/44/20/1416264420.db2.gz QJIPTAKYAOFIEA-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567793747 1416284474 /nfs/dbraw/zinc/28/44/74/1416284474.db2.gz KFSKRTJPWUJRMC-IRXDYDNUSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567793745 1416284736 /nfs/dbraw/zinc/28/47/36/1416284736.db2.gz KFSKRTJPWUJRMC-DLBZAZTESA-N 2 0 333.520 2.796 10 30 EFEERP C#CC[NH2+]C[C@@]1(NC(=O)CCC[NH+]2CCCCC2)CCCC[C@@H]1C ZINC001568043304 1416373719 /nfs/dbraw/zinc/37/37/19/1416373719.db2.gz IDQAWNSMWZVUEK-ICSRJNTNSA-N 2 0 333.520 2.540 10 30 EFEERP C=CC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC[C@H]1C ZINC001568044051 1416374102 /nfs/dbraw/zinc/37/41/02/1416374102.db2.gz SHDGHXKCHVDZIG-XLIONFOSSA-N 2 0 335.536 2.948 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001568121269 1416418018 /nfs/dbraw/zinc/41/80/18/1416418018.db2.gz SUYDKZPWMVGNHK-HXUWFJFHSA-N 2 0 347.478 2.791 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001568159101 1416429386 /nfs/dbraw/zinc/42/93/86/1416429386.db2.gz XRQAKEHQNIBJHV-SFHVURJKSA-N 2 0 345.531 2.751 10 30 EFEERP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001568330918 1416479413 /nfs/dbraw/zinc/47/94/13/1416479413.db2.gz HTXIRXHBELYOLJ-MJGOQNOKSA-N 2 0 333.520 2.537 10 30 EFEERP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001568409181 1416519651 /nfs/dbraw/zinc/51/96/51/1416519651.db2.gz JVCCJUJLARYZQR-HKUYNNGSSA-N 2 0 343.515 2.807 10 30 EFEERP C=CCC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001689995393 1417126171 /nfs/dbraw/zinc/12/61/71/1417126171.db2.gz CQMNSPZJSXTWGS-UHFFFAOYSA-N 2 0 326.444 2.803 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001690103794 1417154895 /nfs/dbraw/zinc/15/48/95/1417154895.db2.gz VMQLYIUAJWOXKB-LJQANCHMSA-N 2 0 329.488 2.561 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001690127838 1417160921 /nfs/dbraw/zinc/16/09/21/1417160921.db2.gz GOHFRFSMFUDXOT-GOSISDBHSA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001690136036 1417162777 /nfs/dbraw/zinc/16/27/77/1417162777.db2.gz BPXPHRTWLFRQEL-UHFFFAOYSA-N 2 0 335.536 2.691 10 30 EFEERP C=C(C)CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001690136432 1417162905 /nfs/dbraw/zinc/16/29/05/1417162905.db2.gz MIXSYBQFHMTKJH-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001690356619 1417195019 /nfs/dbraw/zinc/19/50/19/1417195019.db2.gz PHMSNZSCMDOPKL-JEWRLFTDSA-N 2 0 339.499 2.790 10 30 EFEERP C=CCCCCC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001690388197 1417206149 /nfs/dbraw/zinc/20/61/49/1417206149.db2.gz DYZWAYGTMTWYHL-SFHVURJKSA-N 2 0 335.536 2.903 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001690919360 1417246351 /nfs/dbraw/zinc/24/63/51/1417246351.db2.gz LTYUAMDPPBILBC-HXUWFJFHSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001692275380 1417273679 /nfs/dbraw/zinc/27/36/79/1417273679.db2.gz GDEZILKCVBTCIN-DLBZAZTESA-N 2 0 341.515 2.849 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001692329820 1417278217 /nfs/dbraw/zinc/27/82/17/1417278217.db2.gz NVSHXSBVFCPTQB-RTBURBONSA-N 2 0 333.520 2.633 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001698710473 1417316398 /nfs/dbraw/zinc/31/63/98/1417316398.db2.gz XZNPEGHTTLGWAB-CADBVGFASA-N 2 0 333.520 2.987 10 30 EFEERP C=CCCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001698718067 1417319320 /nfs/dbraw/zinc/31/93/20/1417319320.db2.gz WXBVCYUDXPRNRW-UHFFFAOYSA-N 2 0 341.499 2.987 10 30 EFEERP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001698739124 1417324141 /nfs/dbraw/zinc/32/41/41/1417324141.db2.gz PVOMXXHEXFFMSN-UHFFFAOYSA-N 2 0 341.927 2.785 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001698804093 1417337750 /nfs/dbraw/zinc/33/77/50/1417337750.db2.gz ROHZZGMITVSWQW-MSOLQXFVSA-N 2 0 333.520 2.988 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001698952582 1417356333 /nfs/dbraw/zinc/35/63/33/1417356333.db2.gz LJPMCMZNARGMJG-ICSRJNTNSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001699008397 1417366397 /nfs/dbraw/zinc/36/63/97/1417366397.db2.gz IUBOGVXFAOFGHV-ZWKOTPCHSA-N 2 0 331.504 2.504 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001699011498 1417367404 /nfs/dbraw/zinc/36/74/04/1417367404.db2.gz ALYPNYNCUFSSSG-OALUTQOASA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699034568 1417378693 /nfs/dbraw/zinc/37/86/93/1417378693.db2.gz OJIVJVCWUDTBFY-RTBURBONSA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699533056 1417428309 /nfs/dbraw/zinc/42/83/09/1417428309.db2.gz AMEQUFXSAUHRKI-SFHVURJKSA-N 2 0 327.488 2.603 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001699672994 1417446359 /nfs/dbraw/zinc/44/63/59/1417446359.db2.gz IETCJOMIFDXTGQ-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001699864802 1417484229 /nfs/dbraw/zinc/48/42/29/1417484229.db2.gz FCDLSYZDOQPFNG-SFHVURJKSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001699944106 1417517194 /nfs/dbraw/zinc/51/71/94/1417517194.db2.gz KNSAYEUCEMJESP-UYAOXDASSA-N 2 0 343.515 2.564 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001699991152 1417538958 /nfs/dbraw/zinc/53/89/58/1417538958.db2.gz BDDGLRIFCAOEOA-WCIQWLHISA-N 2 0 347.547 2.996 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700097426 1417567785 /nfs/dbraw/zinc/56/77/85/1417567785.db2.gz HQQCQROHJVRGOS-BHIYHBOVSA-N 2 0 333.520 2.559 10 30 EFEERP CCCCCCC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001700109411 1417572081 /nfs/dbraw/zinc/57/20/81/1417572081.db2.gz KOZXQMBHYLMQEM-UHFFFAOYSA-N 2 0 347.547 2.977 10 30 EFEERP C=CC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001700863992 1417666099 /nfs/dbraw/zinc/66/60/99/1417666099.db2.gz CLIQXYDLGVZGSZ-FXAWDEMLSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001707189550 1418227445 /nfs/dbraw/zinc/22/74/45/1418227445.db2.gz ULFHWNTVFQTSSW-NEWSRXKRSA-N 2 0 335.536 2.898 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001707272189 1418232161 /nfs/dbraw/zinc/23/21/61/1418232161.db2.gz XXCPAUHOWIGYNE-KRWDZBQOSA-N 2 0 326.444 2.755 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001713197099 1418371418 /nfs/dbraw/zinc/37/14/18/1418371418.db2.gz GFILECDIUOLPQB-HDICACEKSA-N 2 0 329.488 2.607 10 30 EFEERP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269476 1418436196 /nfs/dbraw/zinc/43/61/96/1418436196.db2.gz DRUUQOMTNWQTNE-ROUUACIJSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001713269474 1418436559 /nfs/dbraw/zinc/43/65/59/1418436559.db2.gz DRUUQOMTNWQTNE-MSOLQXFVSA-N 2 0 333.520 2.750 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCCC=C)C2)CC1 ZINC001713278687 1418447762 /nfs/dbraw/zinc/44/77/62/1418447762.db2.gz HDJPCKKXFQUUFZ-ICSRJNTNSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713282950 1418451790 /nfs/dbraw/zinc/45/17/90/1418451790.db2.gz QFJYWFQWVSIWCF-QQXKLLMISA-N 2 0 333.520 2.652 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713283893 1418453158 /nfs/dbraw/zinc/45/31/58/1418453158.db2.gz VZBAHYSWHHWCNX-SLHNCBLASA-N 2 0 347.547 2.898 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713283891 1418453234 /nfs/dbraw/zinc/45/32/34/1418453234.db2.gz VZBAHYSWHHWCNX-CENDIDJXSA-N 2 0 347.547 2.898 10 30 EFEERP C=CCC[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001713290191 1418456477 /nfs/dbraw/zinc/45/64/77/1418456477.db2.gz DAVYQACKYLZKRE-RJYAGPCLSA-N 2 0 339.499 2.792 10 30 EFEERP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001715175664 1418656341 /nfs/dbraw/zinc/65/63/41/1418656341.db2.gz MIRDIFIUFOEPIS-FQEVSTJZSA-N 2 0 345.531 2.635 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001715543907 1418678022 /nfs/dbraw/zinc/67/80/22/1418678022.db2.gz BNUMGDGFQSMAGH-MOPGFXCFSA-N 2 0 333.520 2.751 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC2CCCCCC2)CC1 ZINC001716255728 1418742831 /nfs/dbraw/zinc/74/28/31/1418742831.db2.gz BEZRXMBWVUERIG-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C#CCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1CC ZINC001716637389 1418933221 /nfs/dbraw/zinc/93/32/21/1418933221.db2.gz XIRPMSYNNHKPJS-RDJZCZTQSA-N 2 0 347.528 2.663 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)C1 ZINC001716705518 1418964010 /nfs/dbraw/zinc/96/40/10/1418964010.db2.gz BEWDTGQJIRRUAD-OALUTQOASA-N 2 0 335.536 2.996 10 30 EFEERP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716706535 1418965576 /nfs/dbraw/zinc/96/55/76/1418965576.db2.gz QUMOAPIKABLVGG-OALUTQOASA-N 2 0 347.547 2.691 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001716715260 1418970442 /nfs/dbraw/zinc/97/04/42/1418970442.db2.gz QSIYEBNTQUBKDJ-SFHVURJKSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001716715194 1418970491 /nfs/dbraw/zinc/97/04/91/1418970491.db2.gz OXHPPKDZVNTQQA-UHFFFAOYSA-N 2 0 333.520 2.751 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001716806214 1419021223 /nfs/dbraw/zinc/02/12/23/1419021223.db2.gz QQIPFUZIKLHQED-UYAOXDASSA-N 2 0 347.547 2.689 10 30 EFEERP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001716811043 1419024019 /nfs/dbraw/zinc/02/40/19/1419024019.db2.gz LPARMYIOZWPQSB-SFHVURJKSA-N 2 0 347.547 2.691 10 30 EFEERP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(CC)CC)CC1 ZINC001716811255 1419024903 /nfs/dbraw/zinc/02/49/03/1419024903.db2.gz SUSLBOSBKNHLJV-LJQANCHMSA-N 2 0 347.547 2.691 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc2ccccc2c1 ZINC001716812151 1419025489 /nfs/dbraw/zinc/02/54/89/1419025489.db2.gz BIDQSTGNODFLJG-NRFANRHFSA-N 2 0 349.478 2.704 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001716818052 1419029097 /nfs/dbraw/zinc/02/90/97/1419029097.db2.gz VUAONPFJGZWYNU-PMACEKPBSA-N 2 0 345.531 2.681 10 30 EFEERP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001716871528 1419067205 /nfs/dbraw/zinc/06/72/05/1419067205.db2.gz KMKGOTHYXTYKDN-LJQANCHMSA-N 2 0 335.536 2.903 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001716889002 1419076576 /nfs/dbraw/zinc/07/65/76/1419076576.db2.gz SSVUHHPBVYEUEZ-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001716894479 1419080794 /nfs/dbraw/zinc/08/07/94/1419080794.db2.gz QSCVLZRNAYHQLG-NLWGTHIKSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001716900708 1419086510 /nfs/dbraw/zinc/08/65/10/1419086510.db2.gz SHWMGBDFMVAEJU-OAQYLSRUSA-N 2 0 341.499 2.603 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001716903144 1419088489 /nfs/dbraw/zinc/08/84/89/1419088489.db2.gz XXWRYAZLFPCFKD-NQIIRXRSSA-N 2 0 347.547 2.596 10 30 EFEERP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001717010369 1419145916 /nfs/dbraw/zinc/14/59/16/1419145916.db2.gz AINSZZGKWNLAPY-HDICACEKSA-N 2 0 335.536 2.831 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001717009953 1419146202 /nfs/dbraw/zinc/14/62/02/1419146202.db2.gz MQSMPOYGBDURAM-AKHDSKFASA-N 2 0 333.520 2.604 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001717034115 1419166404 /nfs/dbraw/zinc/16/64/04/1419166404.db2.gz ZLMUTLOMXBLQAX-GUDVDZBRSA-N 2 0 333.520 2.892 10 30 EFEERP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717101778 1419208623 /nfs/dbraw/zinc/20/86/23/1419208623.db2.gz SUWCWDLAWITDTR-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001717112897 1419217005 /nfs/dbraw/zinc/21/70/05/1419217005.db2.gz DBGVLUNWHZIGOV-UHFFFAOYSA-N 2 0 343.515 2.736 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001717121974 1419223954 /nfs/dbraw/zinc/22/39/54/1419223954.db2.gz UIMWILSTRYVGLH-QBPKDAKJSA-N 2 0 330.476 2.744 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001717125818 1419226308 /nfs/dbraw/zinc/22/63/08/1419226308.db2.gz TXQXPARHSDPQEV-IRJFHVNHSA-N 2 0 341.499 2.650 10 30 EFEERP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)C1 ZINC001717217543 1419270910 /nfs/dbraw/zinc/27/09/10/1419270910.db2.gz SGZPARBUQKIQQC-RTBURBONSA-N 2 0 344.503 2.800 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717242852 1419284122 /nfs/dbraw/zinc/28/41/22/1419284122.db2.gz PBDZKBSMRJKLNT-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001717247914 1419291031 /nfs/dbraw/zinc/29/10/31/1419291031.db2.gz RBRQSNVJQMBIIH-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001717247913 1419291436 /nfs/dbraw/zinc/29/14/36/1419291436.db2.gz RBRQSNVJQMBIIH-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001717269186 1419298387 /nfs/dbraw/zinc/29/83/87/1419298387.db2.gz DDYLQWFCVYMDKF-IBGZPJMESA-N 2 0 327.472 2.679 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001717309508 1419321518 /nfs/dbraw/zinc/32/15/18/1419321518.db2.gz NWSUIFIDPIMSRV-GOSISDBHSA-N 2 0 347.547 2.739 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001717356612 1419351116 /nfs/dbraw/zinc/35/11/16/1419351116.db2.gz FRCUMPKWLWRBEM-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001717356613 1419351216 /nfs/dbraw/zinc/35/12/16/1419351216.db2.gz FRCUMPKWLWRBEM-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001717377240 1419369536 /nfs/dbraw/zinc/36/95/36/1419369536.db2.gz AQXXKXJKZZGKFZ-RBUKOAKNSA-N 2 0 345.531 2.609 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435750 1419393655 /nfs/dbraw/zinc/39/36/55/1419393655.db2.gz VCBSHYQNFWDOGW-JKSUJKDBSA-N 2 0 349.906 2.516 10 30 EFEERP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001717456847 1419401972 /nfs/dbraw/zinc/40/19/72/1419401972.db2.gz MXJFLYPNVMEKJN-MOPGFXCFSA-N 2 0 343.515 2.592 10 30 EFEERP C#CCC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001717513317 1419421987 /nfs/dbraw/zinc/42/19/87/1419421987.db2.gz RKHJQTMSPGPIIE-GOSISDBHSA-N 2 0 335.536 2.737 10 30 EFEERP C=CC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001717524906 1419427087 /nfs/dbraw/zinc/42/70/87/1419427087.db2.gz VHXTUEJUJKTVLH-UHFFFAOYSA-N 2 0 326.444 2.851 10 30 EFEERP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CCCCC1 ZINC001717525347 1419427595 /nfs/dbraw/zinc/42/75/95/1419427595.db2.gz NBNANHFOQWGNOK-GOSISDBHSA-N 2 0 333.520 2.540 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001717701952 1419515484 /nfs/dbraw/zinc/51/54/84/1419515484.db2.gz OZFDRPYZTGORJV-ICSRJNTNSA-N 2 0 347.547 2.689 10 30 EFEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734391 1419530326 /nfs/dbraw/zinc/53/03/26/1419530326.db2.gz CRKUSINXNVOOPM-PMACEKPBSA-N 2 0 345.531 2.633 10 30 EFEERP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734392 1419530366 /nfs/dbraw/zinc/53/03/66/1419530366.db2.gz CRKUSINXNVOOPM-UXHICEINSA-N 2 0 345.531 2.633 10 30 EFEERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1)[NH+](CC)CC ZINC001717740980 1419532232 /nfs/dbraw/zinc/53/22/32/1419532232.db2.gz JQNNSWJYLDFWQA-ICSRJNTNSA-N 2 0 343.515 2.595 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001717848128 1419576769 /nfs/dbraw/zinc/57/67/69/1419576769.db2.gz WQJBGOITOUGZAC-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878514 1419599081 /nfs/dbraw/zinc/59/90/81/1419599081.db2.gz XGYROYSYOPVSMO-ZWKOTPCHSA-N 2 0 335.536 2.949 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958792 1419629384 /nfs/dbraw/zinc/62/93/84/1419629384.db2.gz ILYCAUBPRSJUHX-MJGOQNOKSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C(F)(F)F ZINC001717987253 1419644179 /nfs/dbraw/zinc/64/41/79/1419644179.db2.gz RRJFUGBKDWYSQG-CABCVRRESA-N 2 0 349.441 2.662 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001717987256 1419644385 /nfs/dbraw/zinc/64/43/85/1419644385.db2.gz RRJFUGBKDWYSQG-LSDHHAIUSA-N 2 0 349.441 2.662 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001718029318 1419668259 /nfs/dbraw/zinc/66/82/59/1419668259.db2.gz UWEDZEPFGIAZMC-QGZVFWFLSA-N 2 0 333.520 2.821 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033882 1419672285 /nfs/dbraw/zinc/67/22/85/1419672285.db2.gz YXENGDYIYZXTAL-GOSISDBHSA-N 2 0 333.520 2.965 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001722956143 1424384527 /nfs/dbraw/zinc/38/45/27/1424384527.db2.gz UDLVRSRNIXJPTK-OALUTQOASA-N 2 0 335.536 2.949 10 30 EFEERP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001722957999 1424387634 /nfs/dbraw/zinc/38/76/34/1424387634.db2.gz TVHPGRSROWOISF-OALUTQOASA-N 2 0 333.520 2.540 10 30 EFEERP C#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001723640304 1424543327 /nfs/dbraw/zinc/54/33/27/1424543327.db2.gz MEXWSIYTKANYOU-FQEVSTJZSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001723698163 1424560182 /nfs/dbraw/zinc/56/01/82/1424560182.db2.gz IMFLYVMSUTZBTP-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001723700103 1424561943 /nfs/dbraw/zinc/56/19/43/1424561943.db2.gz VKLUJBJFSDTHHL-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001723727270 1424571388 /nfs/dbraw/zinc/57/13/88/1424571388.db2.gz QPMHOSZICFGBFZ-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001724047003 1424635117 /nfs/dbraw/zinc/63/51/17/1424635117.db2.gz IWRZGQIBMDEUIK-UYAOXDASSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](CC(C)C)CC1 ZINC001724069926 1424644154 /nfs/dbraw/zinc/64/41/54/1424644154.db2.gz AHIZJOQRWCTGAU-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)c1ccc2ccccc2c1 ZINC001724071447 1424645526 /nfs/dbraw/zinc/64/55/26/1424645526.db2.gz MCJLSOCOKKWGII-FQEVSTJZSA-N 2 0 337.467 2.560 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724094270 1424653515 /nfs/dbraw/zinc/65/35/15/1424653515.db2.gz HITWNZIGBLOPGQ-VQTJNVASSA-N 2 0 345.531 2.681 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC001724097291 1424655763 /nfs/dbraw/zinc/65/57/63/1424655763.db2.gz IYOXXLLXZYQWCX-HXUWFJFHSA-N 2 0 347.547 2.929 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC001724110826 1424661739 /nfs/dbraw/zinc/66/17/39/1424661739.db2.gz WPMVOEXUBSYSAG-HXUWFJFHSA-N 2 0 341.499 2.650 10 30 EFEERP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001724125272 1424667148 /nfs/dbraw/zinc/66/71/48/1424667148.db2.gz CDLWVYMXYCDAMO-MJGOQNOKSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724223628 1424705333 /nfs/dbraw/zinc/70/53/33/1424705333.db2.gz ATCYDXMEIVQLKJ-LJQANCHMSA-N 2 0 326.444 2.661 10 30 EFEERP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001724332269 1424739160 /nfs/dbraw/zinc/73/91/60/1424739160.db2.gz ZWLZIIIHPFMKFI-UYAOXDASSA-N 2 0 335.536 2.903 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001724613338 1424833763 /nfs/dbraw/zinc/83/37/63/1424833763.db2.gz UNUVWAVRHLMFSK-GUDVDZBRSA-N 2 0 335.536 2.807 10 30 EFEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001724615334 1424836694 /nfs/dbraw/zinc/83/66/94/1424836694.db2.gz FSQBKJZAVYAXFU-GOSISDBHSA-N 2 0 349.906 2.699 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001724628938 1424854198 /nfs/dbraw/zinc/85/41/98/1424854198.db2.gz VBOZQPVQMFXXRM-KDURUIRLSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656053 1424891385 /nfs/dbraw/zinc/89/13/85/1424891385.db2.gz QPUWPKAWOBBNKX-MOPGFXCFSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001724656061 1424892331 /nfs/dbraw/zinc/89/23/31/1424892331.db2.gz QPUWPKAWOBBNKX-RTBURBONSA-N 2 0 345.531 2.894 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724754130 1424983572 /nfs/dbraw/zinc/98/35/72/1424983572.db2.gz HZTHOBSVLLIBOV-MKXGPGLRSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001724759806 1424990362 /nfs/dbraw/zinc/99/03/62/1424990362.db2.gz MVEUWBVGICXCJW-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001724889171 1425102865 /nfs/dbraw/zinc/10/28/65/1425102865.db2.gz RPHCTOGBZXFDSC-UHFFFAOYSA-N 2 0 333.520 2.635 10 30 EFEERP C#CC[NH+]1CCC(CCCCCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001724895695 1425113760 /nfs/dbraw/zinc/11/37/60/1425113760.db2.gz XAOARXLDAMSMNP-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724897145 1425114595 /nfs/dbraw/zinc/11/45/95/1425114595.db2.gz HMUMBQRZBXBRRC-SFHVURJKSA-N 2 0 341.927 2.785 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001724900812 1425120249 /nfs/dbraw/zinc/12/02/49/1425120249.db2.gz RMGWTYCZVMDBJJ-UYAOXDASSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001725011174 1425223234 /nfs/dbraw/zinc/22/32/34/1425223234.db2.gz BUJNVVZLMRNWLA-IBGZPJMESA-N 2 0 329.488 2.620 10 30 EFEERP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001725013103 1425227897 /nfs/dbraw/zinc/22/78/97/1425227897.db2.gz MMZWUJGBZBTGTJ-LJQANCHMSA-N 2 0 341.499 2.762 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001725026061 1425236244 /nfs/dbraw/zinc/23/62/44/1425236244.db2.gz OSDMMSWZOFCKLF-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001725039172 1425251054 /nfs/dbraw/zinc/25/10/54/1425251054.db2.gz CBZBXMVHIPKCNR-QGZVFWFLSA-N 2 0 326.444 2.755 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001725055709 1425266308 /nfs/dbraw/zinc/26/63/08/1425266308.db2.gz BZXYXMIWBIBZNY-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001725056336 1425267936 /nfs/dbraw/zinc/26/79/36/1425267936.db2.gz TWNLCPNPYVJNBO-UXHICEINSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001725059003 1425270988 /nfs/dbraw/zinc/27/09/88/1425270988.db2.gz NEAZZRVBCOHGAZ-RTBURBONSA-N 2 0 347.547 2.855 10 30 EFEERP C#CCC[NH2+]C1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001725130260 1425319645 /nfs/dbraw/zinc/31/96/45/1425319645.db2.gz HSMQLRRWBVHSRQ-UHFFFAOYSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001725137039 1425326650 /nfs/dbraw/zinc/32/66/50/1425326650.db2.gz NGBYTDUPWFBBHA-QLOJAFMTSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725175711 1425355977 /nfs/dbraw/zinc/35/59/77/1425355977.db2.gz NISBWLXEFMRRQI-HZPDHXFCSA-N 2 0 341.459 2.672 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001725215952 1425384821 /nfs/dbraw/zinc/38/48/21/1425384821.db2.gz YWFNHCYUXODELP-RTBURBONSA-N 2 0 335.536 2.593 10 30 EFEERP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725241650 1425407388 /nfs/dbraw/zinc/40/73/88/1425407388.db2.gz MSCLWMVFBJKXAC-RBUKOAKNSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725251204 1425415626 /nfs/dbraw/zinc/41/56/26/1425415626.db2.gz BGYQAYIMPFWGEK-APWZRJJASA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725251207 1425415862 /nfs/dbraw/zinc/41/58/62/1425415862.db2.gz BGYQAYIMPFWGEK-VQIMIIECSA-N 2 0 333.520 2.796 10 30 EFEERP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725336660 1425481174 /nfs/dbraw/zinc/48/11/74/1425481174.db2.gz VNVPZBTUMGOTSD-FHWLQOOXSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001725347090 1425495889 /nfs/dbraw/zinc/49/58/89/1425495889.db2.gz LNDCFCHQZTXXDR-YSIASYRMSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001725352148 1425499992 /nfs/dbraw/zinc/49/99/92/1425499992.db2.gz GDIZHWGLBXHHQN-BZSNNMDCSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001725424244 1425570112 /nfs/dbraw/zinc/57/01/12/1425570112.db2.gz DMGWUNVCZQHUNT-UHFFFAOYSA-N 2 0 343.515 2.903 10 30 EFEERP C#CCC[NH+](C)C1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001725426726 1425572221 /nfs/dbraw/zinc/57/22/21/1425572221.db2.gz YRIQOQKOHYHNBD-FQEVSTJZSA-N 2 0 341.499 2.626 10 30 EFEERP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001725426435 1425573010 /nfs/dbraw/zinc/57/30/10/1425573010.db2.gz ZILFQISJRSBPNX-HXUWFJFHSA-N 2 0 345.531 2.730 10 30 EFEERP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001725428124 1425574778 /nfs/dbraw/zinc/57/47/78/1425574778.db2.gz RXFKYAVQQIEVOK-ICSRJNTNSA-N 2 0 343.515 2.911 10 30 EFEERP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1CC[NH+](C)CC1 ZINC001725428158 1425575317 /nfs/dbraw/zinc/57/53/17/1425575317.db2.gz SRIOEGMQEGNUPN-UHFFFAOYSA-N 2 0 329.488 2.523 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001725626218 1425723066 /nfs/dbraw/zinc/72/30/66/1425723066.db2.gz KVXDDIBGBKTXBM-SJLPKXTDSA-N 2 0 333.520 2.632 10 30 EFEERP C=CCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001725634281 1425734429 /nfs/dbraw/zinc/73/44/29/1425734429.db2.gz SFKYXBNXSIUOCK-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001725651546 1425753747 /nfs/dbraw/zinc/75/37/47/1425753747.db2.gz MIBMRBUYJMSHBX-MJGOQNOKSA-N 2 0 343.515 2.855 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725739878 1425808181 /nfs/dbraw/zinc/80/81/81/1425808181.db2.gz NGNVTIWXURWAOW-QZTJIDSGSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC/C=C\CC)C(C)(C)C)CC1 ZINC001725758363 1425825516 /nfs/dbraw/zinc/82/55/16/1425825516.db2.gz RWZMFSHTSOENOR-OLHLWXQYSA-N 2 0 347.547 2.808 10 30 EFEERP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725771627 1425837261 /nfs/dbraw/zinc/83/72/61/1425837261.db2.gz PTKGNBXBHVLNNA-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001725784192 1425849623 /nfs/dbraw/zinc/84/96/23/1425849623.db2.gz XHDIVCBOOIPBBB-HUUCEWRRSA-N 2 0 349.441 2.663 10 30 EFEERP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725827639 1425892326 /nfs/dbraw/zinc/89/23/26/1425892326.db2.gz ULQBSACSFIDWQA-GOSISDBHSA-N 2 0 333.520 2.965 10 30 EFEERP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001725828684 1425894230 /nfs/dbraw/zinc/89/42/30/1425894230.db2.gz ZRZHIEDKQHGCTH-IBGZPJMESA-N 2 0 333.520 2.964 10 30 EFEERP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303987224 724441989 /nfs/dbraw/zinc/44/19/89/724441989.db2.gz VFKNEBCDRMBCBN-KRWDZBQOSA-N 2 0 332.492 2.649 10 30 EFEERP C[C@H](CCC#N)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000895649357 724235555 /nfs/dbraw/zinc/23/55/55/724235555.db2.gz PKBGPJSGXIDIAX-GOSISDBHSA-N 2 0 329.488 2.933 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000907959554 727063361 /nfs/dbraw/zinc/06/33/61/727063361.db2.gz GPEFZVANBSPVIW-HXUWFJFHSA-N 2 0 329.488 2.523 10 30 EFEERP 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ZINC001569435112 1085207446 /nfs/dbraw/zinc/20/74/46/1085207446.db2.gz ZLDVSQWXWAMHEL-PMACEKPBSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001569435114 1085208153 /nfs/dbraw/zinc/20/81/53/1085208153.db2.gz ZLDVSQWXWAMHEL-VQTJNVASSA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001569442779 1085221978 /nfs/dbraw/zinc/22/19/78/1085221978.db2.gz JCOSAXFSKYRURW-IHWFROFDSA-N 2 0 345.531 2.778 10 30 EFEERP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001569442755 1085222042 /nfs/dbraw/zinc/22/20/42/1085222042.db2.gz HYTHDCONQMGKJP-QBUWPKIASA-N 2 0 345.531 2.939 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001569446187 1085225975 /nfs/dbraw/zinc/22/59/75/1085225975.db2.gz GDEWJJCQFJJQMU-QRQLOZEOSA-N 2 0 333.520 2.891 10 30 EFEERP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001569450033 1085231241 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C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001569813811 1085632834 /nfs/dbraw/zinc/63/28/34/1085632834.db2.gz MWWZGKNQCCAJFV-ROUUACIJSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569826380 1085647497 /nfs/dbraw/zinc/64/74/97/1085647497.db2.gz QYFYSSMQUOANNQ-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCC(C)(C)C)C2)CC1 ZINC001569828764 1085650593 /nfs/dbraw/zinc/65/05/93/1085650593.db2.gz OBXPSMPKNZEUBY-IEBWSBKVSA-N 2 0 347.547 2.594 10 30 EFEERP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001569866607 1085693967 /nfs/dbraw/zinc/69/39/67/1085693967.db2.gz CEQUNSVVXJXNTP-IYARVYRRSA-N 2 0 341.499 2.507 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001570031452 1085882986 /nfs/dbraw/zinc/88/29/86/1085882986.db2.gz PJEASIYADXZDLP-YLJYHZDGSA-N 2 0 341.499 2.850 10 30 EFEERP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001570032691 1085885190 /nfs/dbraw/zinc/88/51/90/1085885190.db2.gz AEODYSWWGLKUKB-QZTJIDSGSA-N 2 0 341.499 2.851 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001570033211 1085886137 /nfs/dbraw/zinc/88/61/37/1085886137.db2.gz OMXNQNDFPXKPCI-YLJYHZDGSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001570043607 1085898645 /nfs/dbraw/zinc/89/86/45/1085898645.db2.gz YIBSSRYGQKFAAH-FHWLQOOXSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001570045605 1085900361 /nfs/dbraw/zinc/90/03/61/1085900361.db2.gz NXBVQBSNPOXIPI-WGSAOQKQSA-N 2 0 335.536 2.949 10 30 EFEERP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001570050452 1085905835 /nfs/dbraw/zinc/90/58/35/1085905835.db2.gz BBHUTBRNBMHESP-SFHVURJKSA-N 2 0 335.536 2.975 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001570053394 1085906405 /nfs/dbraw/zinc/90/64/05/1085906405.db2.gz DIXMJAFVWOJLCF-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001570054684 1085909179 /nfs/dbraw/zinc/90/91/79/1085909179.db2.gz AEEKFJBHFWLAJH-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[NH+]1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001570079351 1085934304 /nfs/dbraw/zinc/93/43/04/1085934304.db2.gz XHJAVFSFAUCBPH-UHFFFAOYSA-N 2 0 343.515 2.969 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001570261954 1086095618 /nfs/dbraw/zinc/09/56/18/1086095618.db2.gz GPFICKHYLNIURR-UHFFFAOYSA-N 2 0 341.499 2.746 10 30 EFEERP C=CCCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001570268999 1086101380 /nfs/dbraw/zinc/10/13/80/1086101380.db2.gz MMTAXTVTKQBHOZ-PMACEKPBSA-N 2 0 341.499 2.590 10 30 EFEERP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001570269078 1086104414 /nfs/dbraw/zinc/10/44/14/1086104414.db2.gz NUBLSJOFBPVKKQ-LJQANCHMSA-N 2 0 341.499 2.590 10 30 EFEERP C=CCCCCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001570357465 1086165817 /nfs/dbraw/zinc/16/58/17/1086165817.db2.gz YARLOGWRBNHIGY-MJGOQNOKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001570530425 1086319810 /nfs/dbraw/zinc/31/98/10/1086319810.db2.gz KUZNFFYAMIWWMD-CEXWTWQISA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001570534560 1086326556 /nfs/dbraw/zinc/32/65/56/1086326556.db2.gz LNOPJBAKZYQITM-QGZVFWFLSA-N 2 0 326.444 2.755 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001570542772 1086338694 /nfs/dbraw/zinc/33/86/94/1086338694.db2.gz XKFYCGDIRQGKAP-IEBWSBKVSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001570570532 1086372683 /nfs/dbraw/zinc/37/26/83/1086372683.db2.gz DLJBPMRAUPRDPI-FAFZWHIHSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001570660130 1086443037 /nfs/dbraw/zinc/44/30/37/1086443037.db2.gz NGDVDTSCVLHRSD-CTWPCTMYSA-N 2 0 333.520 2.654 10 30 EFEERP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001570736106 1086490791 /nfs/dbraw/zinc/49/07/91/1086490791.db2.gz QYXIUSSBVSLGNP-YJBOKZPZSA-N 2 0 327.488 2.602 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001570777008 1086512646 /nfs/dbraw/zinc/51/26/46/1086512646.db2.gz GQKHZDAONUQPCQ-MOPGFXCFSA-N 2 0 335.536 2.593 10 30 EFEERP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001570840843 1086559474 /nfs/dbraw/zinc/55/94/74/1086559474.db2.gz AIRZRCVOTOOMNN-VQIMIIECSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001570932757 1086617824 /nfs/dbraw/zinc/61/78/24/1086617824.db2.gz WQBZAFXNSWNROI-HAGHYFMRSA-N 2 0 345.531 2.654 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001571016353 1086641822 /nfs/dbraw/zinc/64/18/22/1086641822.db2.gz SJUZWUHCUSTOEX-OKZBNKHCSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001571016349 1086642886 /nfs/dbraw/zinc/64/28/86/1086642886.db2.gz SJUZWUHCUSTOEX-BZSNNMDCSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001571064235 1086659250 /nfs/dbraw/zinc/65/92/50/1086659250.db2.gz MXBDUJPPMGZNRM-LFGUQSLTSA-N 2 0 333.520 2.606 10 30 EFEERP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@]2(C)C1 ZINC001571068853 1086660683 /nfs/dbraw/zinc/66/06/83/1086660683.db2.gz YNNPXCQSVHYHMV-HBMCJLEFSA-N 2 0 345.531 2.609 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001571176673 1086674073 /nfs/dbraw/zinc/67/40/73/1086674073.db2.gz BJYYUVZHKDQCSY-LNLFQRSKSA-N 2 0 335.536 2.946 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CCC(C)(C)C)CC1 ZINC001571326089 1086724201 /nfs/dbraw/zinc/72/42/01/1086724201.db2.gz NKXKFYKGRSVYMN-QGZVFWFLSA-N 2 0 335.536 2.642 10 30 EFEERP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001571336638 1086736483 /nfs/dbraw/zinc/73/64/83/1086736483.db2.gz DCVIJGWQMYKKDH-HXUWFJFHSA-N 2 0 341.499 2.501 10 30 EFEERP CC#CC[NH2+]CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001571347346 1086745804 /nfs/dbraw/zinc/74/58/04/1086745804.db2.gz RGVCZGXRECYWGG-QUCCMNQESA-N 2 0 341.499 2.579 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001571537402 1086944809 /nfs/dbraw/zinc/94/48/09/1086944809.db2.gz BFUIRWXENZLFFC-IRXDYDNUSA-N 2 0 333.520 2.537 10 30 EFEERP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001571563949 1086964305 /nfs/dbraw/zinc/96/43/05/1086964305.db2.gz UBYZKXKNNJDPNR-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001571571820 1086971778 /nfs/dbraw/zinc/97/17/78/1086971778.db2.gz IAXNHVYCBDEPLK-HUUCEWRRSA-N 2 0 349.441 2.519 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001571571819 1086971925 /nfs/dbraw/zinc/97/19/25/1086971925.db2.gz IAXNHVYCBDEPLK-GJZGRUSLSA-N 2 0 349.441 2.519 10 30 EFEERP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001571700565 1087072788 /nfs/dbraw/zinc/07/27/88/1087072788.db2.gz HFNXYHJCWJHPGW-IBGZPJMESA-N 2 0 333.520 2.821 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c(F)c1 ZINC001571702981 1087076573 /nfs/dbraw/zinc/07/65/73/1087076573.db2.gz PLFAWVIXJHRXGP-MJGOQNOKSA-N 2 0 345.462 2.734 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001585127758 1092379568 /nfs/dbraw/zinc/37/95/68/1092379568.db2.gz CDQFCCHZJMTLCJ-GBESFXJTSA-N 2 0 335.536 2.922 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267045175 1092446826 /nfs/dbraw/zinc/44/68/26/1092446826.db2.gz NRXJUDXRAJDVPN-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001267096701 1092687031 /nfs/dbraw/zinc/68/70/31/1092687031.db2.gz VUQXMMDVOMZMRX-HXUWFJFHSA-N 2 0 343.515 2.884 10 30 EFEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001267096700 1092687161 /nfs/dbraw/zinc/68/71/61/1092687161.db2.gz VUQXMMDVOMZMRX-FQEVSTJZSA-N 2 0 343.515 2.884 10 30 EFEERP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001267108404 1092758611 /nfs/dbraw/zinc/75/86/11/1092758611.db2.gz OQPSPGCBFZQCGZ-GOSISDBHSA-N 2 0 333.520 2.586 10 30 EFEERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001267151891 1092929311 /nfs/dbraw/zinc/92/93/11/1092929311.db2.gz FKTSFNLVJOWQCF-QAPCUYQASA-N 2 0 349.906 2.516 10 30 EFEERP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001267163872 1093010823 /nfs/dbraw/zinc/01/08/23/1093010823.db2.gz BJJPNPYDQVQLJB-IAGOWNOFSA-N 2 0 341.927 2.973 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001267170090 1093045383 /nfs/dbraw/zinc/04/53/83/1093045383.db2.gz DKCVTTSZGZUGPE-MSOLQXFVSA-N 2 0 344.503 2.773 10 30 EFEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267190125 1093134080 /nfs/dbraw/zinc/13/40/80/1093134080.db2.gz CKBJTYHENIPQOM-KRWDZBQOSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001267207550 1093196388 /nfs/dbraw/zinc/19/63/88/1093196388.db2.gz GDEREQXQQZRFNP-KRWDZBQOSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001267222097 1093252215 /nfs/dbraw/zinc/25/22/15/1093252215.db2.gz GKLQRAQEIXIZNC-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267222500 1093254541 /nfs/dbraw/zinc/25/45/41/1093254541.db2.gz NLOJNUQZQFDARR-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267222498 1093254726 /nfs/dbraw/zinc/25/47/26/1093254726.db2.gz NLOJNUQZQFDARR-HKUYNNGSSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001267222501 1093255155 /nfs/dbraw/zinc/25/51/55/1093255155.db2.gz NLOJNUQZQFDARR-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250161 1093367930 /nfs/dbraw/zinc/36/79/30/1093367930.db2.gz HKOYKOZWJMQWND-QFBILLFUSA-N 2 0 341.515 2.992 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267294050 1093499217 /nfs/dbraw/zinc/49/92/17/1093499217.db2.gz BTWLAAKOUUEQDN-IEBWSBKVSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267294051 1093499240 /nfs/dbraw/zinc/49/92/40/1093499240.db2.gz BTWLAAKOUUEQDN-MJGOQNOKSA-N 2 0 333.520 2.798 10 30 EFEERP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001267340618 1093618811 /nfs/dbraw/zinc/61/88/11/1093618811.db2.gz OMUZTGASAGKFCN-MRXNPFEDSA-N 2 0 329.916 2.830 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC001267381685 1094410777 /nfs/dbraw/zinc/41/07/77/1094410777.db2.gz GBWJWMLBNNSBJQ-NRFANRHFSA-N 2 0 349.478 2.832 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267460315 1094575227 /nfs/dbraw/zinc/57/52/27/1094575227.db2.gz UTIJEXTVZGGKHS-CEXWTWQISA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001481111636 1094605899 /nfs/dbraw/zinc/60/58/99/1094605899.db2.gz IZNYMYBZYBBJSL-APWZRJJASA-N 2 0 339.499 2.603 10 30 EFEERP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481461627 1094699722 /nfs/dbraw/zinc/69/97/22/1094699722.db2.gz GBHAZYFUPQRHOX-KRWDZBQOSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001268046915 1094891099 /nfs/dbraw/zinc/89/10/99/1094891099.db2.gz PAXCIEBSOWTLPH-QZTJIDSGSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001481488229 1094903927 /nfs/dbraw/zinc/90/39/27/1094903927.db2.gz QMSOIVQGQLJIGM-HNNXBMFYSA-N 2 0 335.517 2.780 10 30 EFEERP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001267489621 1094929466 /nfs/dbraw/zinc/92/94/66/1094929466.db2.gz WAUGHINHGVOYEU-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001268048990 1094953877 /nfs/dbraw/zinc/95/38/77/1094953877.db2.gz WRXHTTFXXBGUFU-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001481530438 1095144610 /nfs/dbraw/zinc/14/46/10/1095144610.db2.gz WPTIQEGIMMGYCJ-UYAOXDASSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267626558 1095163591 /nfs/dbraw/zinc/16/35/91/1095163591.db2.gz ZXSOEZJVWQORBK-OALUTQOASA-N 2 0 333.520 2.655 10 30 EFEERP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccccc1 ZINC001267518888 1095203448 /nfs/dbraw/zinc/20/34/48/1095203448.db2.gz DWBFBWBCZZHRII-WOJBJXKFSA-N 2 0 341.499 2.579 10 30 EFEERP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001267653210 1095335910 /nfs/dbraw/zinc/33/59/10/1095335910.db2.gz NFLYYXWRCOIXLI-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267657926 1095353442 /nfs/dbraw/zinc/35/34/42/1095353442.db2.gz IEHRABALZZALQA-HKUYNNGSSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cnccc2OC)C1 ZINC001267657733 1095357711 /nfs/dbraw/zinc/35/77/11/1095357711.db2.gz DAQPPOCEJWDNKX-IAGOWNOFSA-N 2 0 345.487 2.768 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267682088 1095441313 /nfs/dbraw/zinc/44/13/13/1095441313.db2.gz HIPNVXNKXAUFSC-QFBILLFUSA-N 2 0 333.520 2.796 10 30 EFEERP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267547393 1095457978 /nfs/dbraw/zinc/45/79/78/1095457978.db2.gz MIUIFMXVADDTEQ-RTBURBONSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001481583629 1095463974 /nfs/dbraw/zinc/46/39/74/1095463974.db2.gz DSSRUMAIWCOBGE-INIZCTEOSA-N 2 0 329.488 2.559 10 30 EFEERP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001493376507 1095531676 /nfs/dbraw/zinc/53/16/76/1095531676.db2.gz FAZJZPYDXRQPLO-LJQANCHMSA-N 2 0 333.520 2.940 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267708326 1095565961 /nfs/dbraw/zinc/56/59/61/1095565961.db2.gz LHAFNUHKJKSYDG-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267708328 1095566098 /nfs/dbraw/zinc/56/60/98/1095566098.db2.gz LHAFNUHKJKSYDG-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268157029 1095567312 /nfs/dbraw/zinc/56/73/12/1095567312.db2.gz UDMSVCJNWURMHL-OALUTQOASA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268157030 1095567468 /nfs/dbraw/zinc/56/74/68/1095567468.db2.gz UDMSVCJNWURMHL-RBUKOAKNSA-N 2 0 333.520 2.655 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001267572111 1095711612 /nfs/dbraw/zinc/71/16/12/1095711612.db2.gz WRCYPSOOEDXIQS-MOPGFXCFSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267575148 1095792222 /nfs/dbraw/zinc/79/22/22/1095792222.db2.gz CWCJFXGMETZVIJ-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267583852 1095949898 /nfs/dbraw/zinc/94/98/98/1095949898.db2.gz VUEFBDGUFGJBLP-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C(C)C)CC1 ZINC001268227586 1096132867 /nfs/dbraw/zinc/13/28/67/1096132867.db2.gz MMRRRIOWEXWCCA-HXUWFJFHSA-N 2 0 345.531 2.562 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268293490 1096280210 /nfs/dbraw/zinc/28/02/10/1096280210.db2.gz CXQPCRIIOPBSJA-MOPGFXCFSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268293493 1096280540 /nfs/dbraw/zinc/28/05/40/1096280540.db2.gz CXQPCRIIOPBSJA-RTBURBONSA-N 2 0 329.488 2.812 10 30 EFEERP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001481674125 1096291686 /nfs/dbraw/zinc/29/16/86/1096291686.db2.gz NTBVVQPMDDGETD-ROUUACIJSA-N 2 0 331.504 2.646 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCCC[NH+](C)C ZINC001496484699 1096474709 /nfs/dbraw/zinc/47/47/09/1096474709.db2.gz CZPXGWHJVYQZRW-ZBFHGGJFSA-N 2 0 329.916 2.688 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001481819375 1096742362 /nfs/dbraw/zinc/74/23/62/1096742362.db2.gz VPINKKCSYDUKQV-GOEBONIOSA-N 2 0 327.900 2.630 10 30 EFEERP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001481931263 1096950462 /nfs/dbraw/zinc/95/04/62/1096950462.db2.gz MPYXYNKMVJUYKL-UTKZUKDTSA-N 2 0 345.531 2.539 10 30 EFEERP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481980070 1097042333 /nfs/dbraw/zinc/04/23/33/1097042333.db2.gz XBQISKRDQCSPAC-IBGZPJMESA-N 2 0 347.547 2.740 10 30 EFEERP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481980071 1097042504 /nfs/dbraw/zinc/04/25/04/1097042504.db2.gz XBQISKRDQCSPAC-LJQANCHMSA-N 2 0 347.547 2.740 10 30 EFEERP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481983823 1097045556 /nfs/dbraw/zinc/04/55/56/1097045556.db2.gz JXASHJPHFJMNQI-AZUAARDMSA-N 2 0 345.531 2.635 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001482027932 1097110270 /nfs/dbraw/zinc/11/02/70/1097110270.db2.gz UZAVVOFEIILAKV-FHWLQOOXSA-N 2 0 333.520 2.537 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001482027886 1097110423 /nfs/dbraw/zinc/11/04/23/1097110423.db2.gz SRMASUMOBPZWBR-QAQDUYKDSA-N 2 0 345.487 2.775 10 30 EFEERP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001482035000 1097134998 /nfs/dbraw/zinc/13/49/98/1097134998.db2.gz KBRGRXZMYCPJMI-UXHICEINSA-N 2 0 341.499 2.536 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCCC1 ZINC001268734021 1097582097 /nfs/dbraw/zinc/58/20/97/1097582097.db2.gz QFROBXQTZDDSMR-ICSRJNTNSA-N 2 0 347.547 2.881 10 30 EFEERP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268762989 1097607476 /nfs/dbraw/zinc/60/74/76/1097607476.db2.gz KFFQAQQWBMVRGB-AZUAARDMSA-N 2 0 343.515 2.855 10 30 EFEERP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001268762992 1097607525 /nfs/dbraw/zinc/60/75/25/1097607525.db2.gz KFFQAQQWBMVRGB-UYAOXDASSA-N 2 0 343.515 2.855 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001268772238 1097619588 /nfs/dbraw/zinc/61/95/88/1097619588.db2.gz XCDYTZYDANREDB-WOJBJXKFSA-N 2 0 341.499 2.650 10 30 EFEERP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268777297 1097627521 /nfs/dbraw/zinc/62/75/21/1097627521.db2.gz XNLKZIHAKBQSKT-UXHICEINSA-N 2 0 341.499 2.650 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001269039012 1097802967 /nfs/dbraw/zinc/80/29/67/1097802967.db2.gz OHTZAMASTCPXSN-ZBFHGGJFSA-N 2 0 326.444 2.802 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222271 1098161403 /nfs/dbraw/zinc/16/14/03/1098161403.db2.gz JZBAGXZNQBSBDF-MSOLQXFVSA-N 2 0 333.520 2.988 10 30 EFEERP CC[C@@H](CNC(=O)CC[N@H+](C)CC)[NH2+]CC#Cc1ccccc1Cl ZINC001269493271 1098182931 /nfs/dbraw/zinc/18/29/31/1098182931.db2.gz UWLNXVXFOUQCDS-KRWDZBQOSA-N 2 0 349.906 2.518 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCC(C)(C)C)CCCC2)CC1 ZINC001269591841 1098274415 /nfs/dbraw/zinc/27/44/15/1098274415.db2.gz JRMNKEKXRKUTGO-UHFFFAOYSA-N 2 0 347.547 2.786 10 30 EFEERP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001269632690 1098309516 /nfs/dbraw/zinc/30/95/16/1098309516.db2.gz KFEPZMOQTGENEN-UHFFFAOYSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001482235500 1098316126 /nfs/dbraw/zinc/31/61/26/1098316126.db2.gz IDJDITFJTNYDAD-HOTGVXAUSA-N 2 0 341.927 2.878 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001269740878 1098412895 /nfs/dbraw/zinc/41/28/95/1098412895.db2.gz IMPPCFYKHPCVJC-LJQANCHMSA-N 2 0 332.492 2.847 10 30 EFEERP CC#CC[NH2+]CCC1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001269951405 1098542907 /nfs/dbraw/zinc/54/29/07/1098542907.db2.gz JJSZNLXOTVOOCJ-FQEVSTJZSA-N 2 0 341.499 2.531 10 30 EFEERP C#CC[NH2+]CCC1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001269950398 1098544484 /nfs/dbraw/zinc/54/44/84/1098544484.db2.gz DPANSFAMKMKWAC-UHFFFAOYSA-N 2 0 345.487 2.587 10 30 EFEERP C=CCC[C@H](C)[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267914484 1098605991 /nfs/dbraw/zinc/60/59/91/1098605991.db2.gz HUNJIVVHRNCMEX-ROUUACIJSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267914483 1098606514 /nfs/dbraw/zinc/60/65/14/1098606514.db2.gz HUNJIVVHRNCMEX-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001270035794 1098621818 /nfs/dbraw/zinc/62/18/18/1098621818.db2.gz HCYQKSLNFMYHRW-UFYCRDLUSA-N 2 0 341.499 2.720 10 30 EFEERP C=C(Cl)C[NH2+]CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001267917210 1098642663 /nfs/dbraw/zinc/64/26/63/1098642663.db2.gz YCMAVOHIWCAFKJ-UHFFFAOYSA-N 2 0 341.927 2.689 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001270089167 1098679349 /nfs/dbraw/zinc/67/93/49/1098679349.db2.gz ZTWCRXOPDCKGML-UHFFFAOYSA-N 2 0 329.488 2.845 10 30 EFEERP C=CCC[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001267934497 1098732526 /nfs/dbraw/zinc/73/25/26/1098732526.db2.gz YWDNDLRGVXFTQG-VQIMIIECSA-N 2 0 329.488 2.841 10 30 EFEERP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001267752455 1098799128 /nfs/dbraw/zinc/79/91/28/1098799128.db2.gz LDBCRHZAQUEVAU-UHFFFAOYSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2 ZINC001267973847 1099030276 /nfs/dbraw/zinc/03/02/76/1099030276.db2.gz CIEDBXYPVUAPAT-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001270403667 1099058826 /nfs/dbraw/zinc/05/88/26/1099058826.db2.gz JWDAHZRMWUGDOI-KRWDZBQOSA-N 2 0 347.528 2.711 10 30 EFEERP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001270439878 1099092980 /nfs/dbraw/zinc/09/29/80/1099092980.db2.gz BZAFEFUXJSCVMM-PKOBYXMFSA-N 2 0 333.520 2.539 10 30 EFEERP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001615894793 1099166237 /nfs/dbraw/zinc/16/62/37/1099166237.db2.gz MITZBKBYYBTEQU-IPMKNSEASA-N 2 0 333.520 2.818 10 30 EFEERP C=CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001671256800 1099372434 /nfs/dbraw/zinc/37/24/34/1099372434.db2.gz KQUQQALGUFEPTO-APWZRJJASA-N 2 0 329.488 2.907 10 30 EFEERP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001481340698 1099374292 /nfs/dbraw/zinc/37/42/92/1099374292.db2.gz TZCDQEKFQJRKKU-CVEARBPZSA-N 2 0 332.492 2.771 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001481365905 1099484418 /nfs/dbraw/zinc/48/44/18/1099484418.db2.gz BVUXFMGYBAQXFE-RBUKOAKNSA-N 2 0 329.488 2.882 10 30 EFEERP CCC[N@H+](C)CC(=O)NC[C@@H](CC)[NH2+]CC#Cc1ccccc1Cl ZINC001267828258 1099490435 /nfs/dbraw/zinc/49/04/35/1099490435.db2.gz UGCJJXHUCFNHCD-QGZVFWFLSA-N 2 0 349.906 2.518 10 30 EFEERP C=C(C)C[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001481370846 1099502536 /nfs/dbraw/zinc/50/25/36/1099502536.db2.gz NATJSKQKMQRYAU-IBGZPJMESA-N 2 0 329.488 2.742 10 30 EFEERP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001270737900 1099509190 /nfs/dbraw/zinc/50/91/90/1099509190.db2.gz WBGFBXRMESZWFK-ICSRJNTNSA-N 2 0 333.520 2.798 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCCCC)C2)CC1 ZINC001270847192 1099710987 /nfs/dbraw/zinc/71/09/87/1099710987.db2.gz LYJMGJQIPQNVKG-NRFANRHFSA-N 2 0 347.547 2.740 10 30 EFEERP C#CCC[NH2+]C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CCCC[C@H]1C ZINC001267872012 1099776406 /nfs/dbraw/zinc/77/64/06/1099776406.db2.gz LASUGFOUOCPOAJ-QUCCMNQESA-N 2 0 333.520 2.540 10 30 EFEERP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001626943818 1099939190 /nfs/dbraw/zinc/93/91/90/1099939190.db2.gz VXZLTVVMKVZUTJ-UHFFFAOYSA-N 2 0 329.488 2.653 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CCCCC1 ZINC001482406090 1100042617 /nfs/dbraw/zinc/04/26/17/1100042617.db2.gz MRTOPNZUQRSEON-OALUTQOASA-N 2 0 333.520 2.539 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001629373317 1100204936 /nfs/dbraw/zinc/20/49/36/1100204936.db2.gz IFYDQDVHMXMFSX-UHFFFAOYSA-N 2 0 335.536 2.853 10 30 EFEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001270973660 1100324923 /nfs/dbraw/zinc/32/49/23/1100324923.db2.gz DXUFQEGWFSSXDA-IBGZPJMESA-N 2 0 326.444 2.661 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270984268 1100338789 /nfs/dbraw/zinc/33/87/89/1100338789.db2.gz ZEDFPYWTNCYWDI-PKOBYXMFSA-N 2 0 335.536 2.901 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001271217815 1101293988 /nfs/dbraw/zinc/29/39/88/1101293988.db2.gz VNJPRRTZBQNCKG-GOSISDBHSA-N 2 0 345.531 2.659 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1CC ZINC001670587019 1101370113 /nfs/dbraw/zinc/37/01/13/1101370113.db2.gz DRNGYUNOZMUWJA-RTBURBONSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1CC ZINC001670594993 1101377591 /nfs/dbraw/zinc/37/75/91/1101377591.db2.gz IOVVKMPSHQXPEI-QUCCMNQESA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001271354928 1101428352 /nfs/dbraw/zinc/42/83/52/1101428352.db2.gz URQWAWULZGUHPN-FQEVSTJZSA-N 2 0 347.547 2.949 10 30 EFEERP C#CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC001652509657 1101504900 /nfs/dbraw/zinc/50/49/00/1101504900.db2.gz UWUFJWGAUXPOQW-UHFFFAOYSA-N 2 0 342.483 2.822 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659406 1101698565 /nfs/dbraw/zinc/69/85/65/1101698565.db2.gz OPDSMFABZOPCOA-ZWKOTPCHSA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[N@@H+](C)CCN(CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001654314461 1101703795 /nfs/dbraw/zinc/70/37/95/1101703795.db2.gz LIHOKNOKWKHQMI-NRFANRHFSA-N 2 0 345.531 2.717 10 30 EFEERP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1CC ZINC001271446082 1101744687 /nfs/dbraw/zinc/74/46/87/1101744687.db2.gz JAEGBFCFYWISHC-HXUWFJFHSA-N 2 0 343.515 2.914 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)[C@@H](C)C2)CC1 ZINC001271458295 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C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001661978662 1103534076 /nfs/dbraw/zinc/53/40/76/1103534076.db2.gz WMGMSAOIJIUDLZ-WOJBJXKFSA-N 2 0 345.531 2.731 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)C ZINC001482571365 1103693736 /nfs/dbraw/zinc/69/37/36/1103693736.db2.gz LNVGXPDKTMXXIO-IAGOWNOFSA-N 2 0 343.943 2.980 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001662728048 1103773725 /nfs/dbraw/zinc/77/37/25/1103773725.db2.gz MQDULGYMNCXMMJ-GOSISDBHSA-N 2 0 329.488 2.766 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001662784575 1103808750 /nfs/dbraw/zinc/80/87/50/1103808750.db2.gz IDBMDPAWTKHHIV-RTBURBONSA-N 2 0 333.520 2.702 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC001279149217 1103897227 /nfs/dbraw/zinc/89/72/27/1103897227.db2.gz NTRNKJKMLCKJNO-PXNSSMCTSA-N 2 0 343.515 2.665 10 30 EFEERP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663103751 1103980277 /nfs/dbraw/zinc/98/02/77/1103980277.db2.gz DVLFDRRIGOXZEV-LPHOPBHVSA-N 2 0 339.499 2.746 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001663115312 1103992201 /nfs/dbraw/zinc/99/22/01/1103992201.db2.gz UPGNFRXTNBZMBK-HXUWFJFHSA-N 2 0 341.499 2.746 10 30 EFEERP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001663123535 1103997966 /nfs/dbraw/zinc/99/79/66/1103997966.db2.gz HYBMJIQCELEORN-KRWDZBQOSA-N 2 0 341.927 2.976 10 30 EFEERP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001272044757 1104278747 /nfs/dbraw/zinc/27/87/47/1104278747.db2.gz SDRNBSQMSVBMPG-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP C=CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001664583814 1104459045 /nfs/dbraw/zinc/45/90/45/1104459045.db2.gz WGPYYEQJRJDNQS-IBGZPJMESA-N 2 0 341.499 2.886 10 30 EFEERP CC#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001483624143 1104486301 /nfs/dbraw/zinc/48/63/01/1104486301.db2.gz YAXLMWFFPKJERO-UYAOXDASSA-N 2 0 341.499 2.602 10 30 EFEERP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001664716640 1104518961 /nfs/dbraw/zinc/51/89/61/1104518961.db2.gz GANPZFMVHIHGQQ-ZWKOTPCHSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001664898632 1104599463 /nfs/dbraw/zinc/59/94/63/1104599463.db2.gz WIPGZAGWWFLCBV-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)CC[C@@H]21 ZINC001482657610 1104749306 /nfs/dbraw/zinc/74/93/06/1104749306.db2.gz AMNBPEYQPFVWRZ-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001482664179 1104771756 /nfs/dbraw/zinc/77/17/56/1104771756.db2.gz SQUWBSRSAULPTD-QZTJIDSGSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001482664181 1104772683 /nfs/dbraw/zinc/77/26/83/1104772683.db2.gz SQUWBSRSAULPTD-ZWKOTPCHSA-N 2 0 335.536 2.853 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCCC(C)C)C2)CC1 ZINC001665742053 1104773222 /nfs/dbraw/zinc/77/32/22/1104773222.db2.gz JTJJYSHAWVXZMB-FQEVSTJZSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001665844392 1104793186 /nfs/dbraw/zinc/79/31/86/1104793186.db2.gz JANKTNMKKFZKSD-YJBOKZPZSA-N 2 0 327.488 2.650 10 30 EFEERP C#CC[NH2+]C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC[C@@H]1C ZINC001666058365 1104843375 /nfs/dbraw/zinc/84/33/75/1104843375.db2.gz YMQIZTMXBCJAIO-YWZLYKJASA-N 2 0 338.455 2.544 10 30 EFEERP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001272091233 1104846544 /nfs/dbraw/zinc/84/65/44/1104846544.db2.gz RDVARYUEGANFLG-RBUKOAKNSA-N 2 0 333.520 2.751 10 30 EFEERP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001666162523 1104889578 /nfs/dbraw/zinc/88/95/78/1104889578.db2.gz OTBCLXMQVIMNIT-KRWDZBQOSA-N 2 0 333.520 2.513 10 30 EFEERP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001666347729 1104931587 /nfs/dbraw/zinc/93/15/87/1104931587.db2.gz PXQIUBYMUCGVJW-HXUWFJFHSA-N 2 0 341.499 2.536 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)CCC)CC2 ZINC001666501298 1104954097 /nfs/dbraw/zinc/95/40/97/1104954097.db2.gz UFZXNEYPBOAOHI-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001666620225 1104970621 /nfs/dbraw/zinc/97/06/21/1104970621.db2.gz NQWXWSFASUQRPR-RLLQIKCJSA-N 2 0 343.515 2.640 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001666796217 1104998095 /nfs/dbraw/zinc/99/80/95/1104998095.db2.gz PGLZZYSAPLYFHU-ZWKOTPCHSA-N 2 0 333.520 2.988 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCC2)CC(C)C)CC1 ZINC001667118329 1105055479 /nfs/dbraw/zinc/05/54/79/1105055479.db2.gz POCIJWFLXAKUFG-HXUWFJFHSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC001667134860 1105059654 /nfs/dbraw/zinc/05/96/54/1105059654.db2.gz NBRLDYPJYOCXMX-IBGZPJMESA-N 2 0 347.547 2.929 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCCC1 ZINC001667139324 1105060682 /nfs/dbraw/zinc/06/06/82/1105060682.db2.gz ISNYRLIUOHVSHX-PMACEKPBSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001667204871 1105079386 /nfs/dbraw/zinc/07/93/86/1105079386.db2.gz UGODIZYPKZNUBW-YLJYHZDGSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001667217996 1105084398 /nfs/dbraw/zinc/08/43/98/1105084398.db2.gz WDHDLQGXLMYUFV-WBVHZDCISA-N 2 0 341.927 2.832 10 30 EFEERP C#CC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001667416728 1105144510 /nfs/dbraw/zinc/14/45/10/1105144510.db2.gz GOIGUZUHPKQOHV-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001667420811 1105145429 /nfs/dbraw/zinc/14/54/29/1105145429.db2.gz DZGAZEQVAAKZHQ-UXHICEINSA-N 2 0 345.531 2.587 10 30 EFEERP C=CC[NH+]1CC[C@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001667688938 1105179812 /nfs/dbraw/zinc/17/98/12/1105179812.db2.gz YSHQMJSMYGJRRZ-HKUYNNGSSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001667733588 1105190610 /nfs/dbraw/zinc/19/06/10/1105190610.db2.gz KBGSPZVARLFCOV-ZWKOTPCHSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001667733583 1105190756 /nfs/dbraw/zinc/19/07/56/1105190756.db2.gz KBGSPZVARLFCOV-MSOLQXFVSA-N 2 0 333.520 2.703 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669972888 1105560096 /nfs/dbraw/zinc/56/00/96/1105560096.db2.gz BEAGXNSAUSJXKY-MOPGFXCFSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001669987206 1105565139 /nfs/dbraw/zinc/56/51/39/1105565139.db2.gz YDWXVQQWQAEFDJ-PMACEKPBSA-N 2 0 345.531 2.562 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001670250021 1105604326 /nfs/dbraw/zinc/60/43/26/1105604326.db2.gz RAIJJHPCGMWUHH-APWZRJJASA-N 2 0 341.515 2.992 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001671504020 1105647177 /nfs/dbraw/zinc/64/71/77/1105647177.db2.gz KTBVRAWXZFCFSR-UCFODXPJSA-N 2 0 345.531 2.611 10 30 EFEERP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC/C=C\CCC)CC1 ZINC001671504017 1105647296 /nfs/dbraw/zinc/64/72/96/1105647296.db2.gz KTBVRAWXZFCFSR-FQQSSWHASA-N 2 0 345.531 2.611 10 30 EFEERP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001671512597 1105648476 /nfs/dbraw/zinc/64/84/76/1105648476.db2.gz LBDPWGPYTWLWOB-MAODMQOUSA-N 2 0 349.478 2.560 10 30 EFEERP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001671775764 1105700998 /nfs/dbraw/zinc/70/09/98/1105700998.db2.gz WVTOHHSCMAGWJJ-QUCCMNQESA-N 2 0 335.536 2.903 10 30 EFEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001671868301 1105716725 /nfs/dbraw/zinc/71/67/25/1105716725.db2.gz RUBVNQFAMQKULM-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671886987 1105721742 /nfs/dbraw/zinc/72/17/42/1105721742.db2.gz FREKBZVTJSZLNN-QUCCMNQESA-N 2 0 333.520 2.513 10 30 EFEERP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001672170785 1105764823 /nfs/dbraw/zinc/76/48/23/1105764823.db2.gz KKCGZNOCIFCWTE-IBGZPJMESA-N 2 0 347.547 2.548 10 30 EFEERP C=C(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001672171450 1105765418 /nfs/dbraw/zinc/76/54/18/1105765418.db2.gz PKOMFFIFSBSXOG-LJQANCHMSA-N 2 0 347.547 2.855 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001672247012 1105784851 /nfs/dbraw/zinc/78/48/51/1105784851.db2.gz QKFPRSVBHQJOSO-DLBZAZTESA-N 2 0 345.487 2.585 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001672247013 1105785370 /nfs/dbraw/zinc/78/53/70/1105785370.db2.gz QKFPRSVBHQJOSO-IAGOWNOFSA-N 2 0 345.487 2.585 10 30 EFEERP C=CCC[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001672295292 1105795370 /nfs/dbraw/zinc/79/53/70/1105795370.db2.gz YOZHEJCCMAIAQX-HOCLYGCPSA-N 2 0 326.444 2.517 10 30 EFEERP C=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001672337914 1105804528 /nfs/dbraw/zinc/80/45/28/1105804528.db2.gz CDIXBZNYYKDHRK-HOTGVXAUSA-N 2 0 333.476 2.605 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001672338292 1105805647 /nfs/dbraw/zinc/80/56/47/1105805647.db2.gz GNDBZNOQWJFHBK-LPHOPBHVSA-N 2 0 329.488 2.622 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001672446966 1105835916 /nfs/dbraw/zinc/83/59/16/1105835916.db2.gz FSCFJVDPQNJITO-QRVBRYPASA-N 2 0 333.520 2.607 10 30 EFEERP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CCCCCC ZINC001672539066 1105866385 /nfs/dbraw/zinc/86/63/85/1105866385.db2.gz WHRRFMCPIBCZHQ-MOPGFXCFSA-N 2 0 333.520 2.587 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001672543786 1105868558 /nfs/dbraw/zinc/86/85/58/1105868558.db2.gz QJGPDSRTKCESMT-RBUKOAKNSA-N 2 0 333.520 2.894 10 30 EFEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001672925119 1105939554 /nfs/dbraw/zinc/93/95/54/1105939554.db2.gz QJTKINDRSFOURN-HXUWFJFHSA-N 2 0 341.499 2.632 10 30 EFEERP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001672925373 1105939960 /nfs/dbraw/zinc/93/99/60/1105939960.db2.gz YZRQYRILMOMNQM-UHFFFAOYSA-N 2 0 341.499 2.632 10 30 EFEERP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001672925118 1105940042 /nfs/dbraw/zinc/94/00/42/1105940042.db2.gz QJTKINDRSFOURN-FQEVSTJZSA-N 2 0 341.499 2.632 10 30 EFEERP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2CCC)cc1 ZINC001672938006 1105944248 /nfs/dbraw/zinc/94/42/48/1105944248.db2.gz OUYQNRYCCHDDCP-FXAWDEMLSA-N 2 0 341.499 2.851 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cncn2C)CC1 ZINC001672990709 1105955154 /nfs/dbraw/zinc/95/51/54/1105955154.db2.gz GIQLTSJIECOUFY-ULQDDVLXSA-N 2 0 332.492 2.582 10 30 EFEERP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001672995085 1105956045 /nfs/dbraw/zinc/95/60/45/1105956045.db2.gz SWOLQGAFGVKAFU-RUCARUNLSA-N 2 0 329.488 2.812 10 30 EFEERP C=C(C)CC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001673079937 1105971405 /nfs/dbraw/zinc/97/14/05/1105971405.db2.gz VIPXZBODRWKCFM-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C#CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001673387966 1106014193 /nfs/dbraw/zinc/01/41/93/1106014193.db2.gz XYGWNTNENNLWMX-QGZVFWFLSA-N 2 0 333.520 2.633 10 30 EFEERP C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC)CC1 ZINC001673496981 1106036551 /nfs/dbraw/zinc/03/65/51/1106036551.db2.gz WGBJSYHRJQNRMH-BGYRXZFFSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001673885770 1106097472 /nfs/dbraw/zinc/09/74/72/1106097472.db2.gz QJLHOASMHZGFFD-KDOFPFPSSA-N 2 0 326.444 2.659 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC001674033421 1106128074 /nfs/dbraw/zinc/12/80/74/1106128074.db2.gz IOJXWEMSJIEWJJ-PXNSSMCTSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001674272597 1106164199 /nfs/dbraw/zinc/16/41/99/1106164199.db2.gz ZSUKDHYUWMZECO-ICSRJNTNSA-N 2 0 341.499 2.620 10 30 EFEERP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001674295036 1106168362 /nfs/dbraw/zinc/16/83/62/1106168362.db2.gz XXMUUUPJLUHDCW-UHFFFAOYSA-N 2 0 347.547 2.692 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001674343657 1106175070 /nfs/dbraw/zinc/17/50/70/1106175070.db2.gz ZKCMAGGQSVMAAE-LJQANCHMSA-N 2 0 335.536 2.853 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001674469488 1106197898 /nfs/dbraw/zinc/19/78/98/1106197898.db2.gz KYROKEBTKAPBCG-SFHVURJKSA-N 2 0 329.488 2.513 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499660 1106207236 /nfs/dbraw/zinc/20/72/36/1106207236.db2.gz MLWQNOKJBKSCLD-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001674555036 1106216171 /nfs/dbraw/zinc/21/61/71/1106216171.db2.gz YCNFWHYXHZSRDK-WWDZGPRUSA-N 2 0 333.520 2.702 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001674775920 1106254703 /nfs/dbraw/zinc/25/47/03/1106254703.db2.gz YXDJJFWVJQJMNI-IAGOWNOFSA-N 2 0 335.536 2.641 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001674775896 1106255233 /nfs/dbraw/zinc/25/52/33/1106255233.db2.gz YNXKJIJIZQENMT-QZTJIDSGSA-N 2 0 345.531 2.705 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)CC[C@@H]([NH2+]CC=C(C)C)C(C)C)CC1 ZINC001675140252 1106307552 /nfs/dbraw/zinc/30/75/52/1106307552.db2.gz NQOIOHHEDVMILS-HXUWFJFHSA-N 2 0 347.547 2.761 10 30 EFEERP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001675634589 1106399762 /nfs/dbraw/zinc/39/97/62/1106399762.db2.gz FAEMCPBDMNAMHC-OTWHNJEPSA-N 2 0 347.547 2.901 10 30 EFEERP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001675958872 1106455050 /nfs/dbraw/zinc/45/50/50/1106455050.db2.gz NGNTVVZBEOEMLD-PKOBYXMFSA-N 2 0 333.520 2.681 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)[C@H](C)CCC=C)CC2)CC1 ZINC001676082189 1106482485 /nfs/dbraw/zinc/48/24/85/1106482485.db2.gz HAGPPDLUZJUQJA-GOSISDBHSA-N 2 0 345.531 2.609 10 30 EFEERP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001676086663 1106484104 /nfs/dbraw/zinc/48/41/04/1106484104.db2.gz XWKYNJHZQYDYMH-HXUWFJFHSA-N 2 0 341.499 2.523 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1(C)C ZINC001677043079 1106655629 /nfs/dbraw/zinc/65/56/29/1106655629.db2.gz MIMZRXLLXWTEDW-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCCC(C)C)C(C)(C)C)CC1 ZINC001677306078 1106695001 /nfs/dbraw/zinc/69/50/01/1106695001.db2.gz AQHOQXMCZZWEJL-LJQANCHMSA-N 2 0 349.563 2.888 10 30 EFEERP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)c(F)c1 ZINC001677643283 1106804519 /nfs/dbraw/zinc/80/45/19/1106804519.db2.gz NXWGWGHDNKOROP-UHFFFAOYSA-N 2 0 333.451 2.592 10 30 EFEERP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409349784 1107634136 /nfs/dbraw/zinc/63/41/36/1107634136.db2.gz GROXEQLBNBWASZ-CVEARBPZSA-N 2 0 344.503 2.519 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272320681 1107809286 /nfs/dbraw/zinc/80/92/86/1107809286.db2.gz CCCZUBBENGECOQ-RBUKOAKNSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001272214781 1107890006 /nfs/dbraw/zinc/89/00/06/1107890006.db2.gz CJSMSLWHTKRRDI-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001483798833 1112461004 /nfs/dbraw/zinc/46/10/04/1112461004.db2.gz HGYDTIXWHAFZOH-YZGWKJHDSA-N 2 0 347.547 2.853 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832973 1112493811 /nfs/dbraw/zinc/49/38/11/1112493811.db2.gz RHSJGKZWSRKSIG-HXUWFJFHSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483833613 1112494365 /nfs/dbraw/zinc/49/43/65/1112494365.db2.gz MHDQLDWLZKMTQR-AZUAARDMSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001483844911 1112503097 /nfs/dbraw/zinc/50/30/97/1112503097.db2.gz CUCKHDMADOKYHB-HXUWFJFHSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483917961 1112558929 /nfs/dbraw/zinc/55/89/29/1112558929.db2.gz QKPCBXXMMRLCBA-DLBZAZTESA-N 2 0 341.927 2.974 10 30 EFEERP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001483980512 1112623184 /nfs/dbraw/zinc/62/31/84/1112623184.db2.gz KXKQNCLOLHUZKA-IBGZPJMESA-N 2 0 347.547 2.833 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC/C=C/CCC)CC1 ZINC001483985619 1112630556 /nfs/dbraw/zinc/63/05/56/1112630556.db2.gz DUCBBDWIQSEQIZ-AQKVLALTSA-N 2 0 345.531 2.753 10 30 EFEERP C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCCC)CC1 ZINC001483987905 1112633571 /nfs/dbraw/zinc/63/35/71/1112633571.db2.gz INMFVBKZMPGYQZ-LJQANCHMSA-N 2 0 347.547 2.977 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]cn1)c1ccc2ccccc2c1 ZINC001483993114 1112642155 /nfs/dbraw/zinc/64/21/55/1112642155.db2.gz TXRNOEPEEXCTML-LJQANCHMSA-N 2 0 334.423 2.739 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001484000325 1112651365 /nfs/dbraw/zinc/65/13/65/1112651365.db2.gz DKADUBYOPJNUNI-MRXNPFEDSA-N 2 0 335.517 2.874 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001484003688 1112655032 /nfs/dbraw/zinc/65/50/32/1112655032.db2.gz WXZZBZVXNYBCIW-SFHVURJKSA-N 2 0 333.520 2.846 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001484008148 1112657164 /nfs/dbraw/zinc/65/71/64/1112657164.db2.gz NZVBFZUIHWZGKH-HKUYNNGSSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484199258 1112922276 /nfs/dbraw/zinc/92/22/76/1112922276.db2.gz QXTODULVSIBCGZ-HOTGVXAUSA-N 2 0 343.462 2.510 10 30 EFEERP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001484551906 1113003954 /nfs/dbraw/zinc/00/39/54/1113003954.db2.gz RMVRHLABTXUMTQ-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)CCc1nccn1C ZINC001484556017 1113017263 /nfs/dbraw/zinc/01/72/63/1113017263.db2.gz HIQZQZAULPAMAS-UHFFFAOYSA-N 2 0 340.471 2.677 10 30 EFEERP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001484611995 1113052773 /nfs/dbraw/zinc/05/27/73/1113052773.db2.gz AWRAXBBUWQMDGX-LJQANCHMSA-N 2 0 329.488 2.577 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2n1 ZINC001484618815 1113069088 /nfs/dbraw/zinc/06/90/88/1113069088.db2.gz ZYBARSAJQGPIKM-GOSISDBHSA-N 2 0 340.471 2.732 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001484816583 1117749076 /nfs/dbraw/zinc/74/90/76/1117749076.db2.gz NDPPPQLVHGRQNB-SFHVURJKSA-N 2 0 333.520 2.633 10 30 EFEERP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001484817189 1117750331 /nfs/dbraw/zinc/75/03/31/1117750331.db2.gz ZDLMTCGBSLFZAT-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP CC#CC[NH+]1CCC(CCCCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484821132 1117755570 /nfs/dbraw/zinc/75/55/70/1117755570.db2.gz NLKFPYODKSNSET-HXUWFJFHSA-N 2 0 347.547 2.740 10 30 EFEERP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001484924744 1117828009 /nfs/dbraw/zinc/82/80/09/1117828009.db2.gz VXSFFWZYMINJRG-QZTJIDSGSA-N 2 0 333.520 2.940 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001484923104 1117839434 /nfs/dbraw/zinc/83/94/34/1117839434.db2.gz DRFNFACMLKSJCD-HNNXBMFYSA-N 2 0 329.916 2.830 10 30 EFEERP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001485032087 1117958045 /nfs/dbraw/zinc/95/80/45/1117958045.db2.gz MGCFCDSAERULOO-UHFFFAOYSA-N 2 0 335.536 2.855 10 30 EFEERP C=CC[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001485033655 1117967140 /nfs/dbraw/zinc/96/71/40/1117967140.db2.gz ORTWOKMCEOGDQQ-UHFFFAOYSA-N 2 0 347.547 2.855 10 30 EFEERP C=CCCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001485085769 1118025165 /nfs/dbraw/zinc/02/51/65/1118025165.db2.gz WKMXUMHWCOXBAU-UXHICEINSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001485091831 1118026338 /nfs/dbraw/zinc/02/63/38/1118026338.db2.gz GDIZHWGLBXHHQN-LXPRWKDFSA-N 2 0 333.520 2.702 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001485230727 1118156594 /nfs/dbraw/zinc/15/65/94/1118156594.db2.gz XIZYVDKLNDLNGZ-MSOLQXFVSA-N 2 0 347.547 2.785 10 30 EFEERP C#CCC[NH2+]C1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001485240967 1118172644 /nfs/dbraw/zinc/17/26/44/1118172644.db2.gz SHIMVGSLBHCXAU-UHFFFAOYSA-N 2 0 341.499 2.744 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001485242210 1118173782 /nfs/dbraw/zinc/17/37/82/1118173782.db2.gz WWNJVMSEHVLENM-KLHKWILBSA-N 2 0 332.492 2.914 10 30 EFEERP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001485263528 1118182154 /nfs/dbraw/zinc/18/21/54/1118182154.db2.gz IABRRNMBNJTSRA-CVEARBPZSA-N 2 0 343.943 2.934 10 30 EFEERP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485258530 1118190012 /nfs/dbraw/zinc/19/00/12/1118190012.db2.gz NCMCODRXJOECSG-LJQANCHMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC001485668100 1118516648 /nfs/dbraw/zinc/51/66/48/1118516648.db2.gz GAFYOGHLOFDHHE-IZZBFERCSA-N 2 0 347.547 2.853 10 30 EFEERP C=CCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001485758074 1118562663 /nfs/dbraw/zinc/56/26/63/1118562663.db2.gz WZMSXADKFONYRZ-HXUWFJFHSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001485758091 1118562689 /nfs/dbraw/zinc/56/26/89/1118562689.db2.gz ADAOUVADLFNUCM-LJQANCHMSA-N 2 0 333.520 2.892 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940800798 1118634027 /nfs/dbraw/zinc/63/40/27/1118634027.db2.gz HMHCBBZEUHNXFH-RBUKOAKNSA-N 2 0 345.531 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000941237447 1118695824 /nfs/dbraw/zinc/69/58/24/1118695824.db2.gz NMKGULZRIKQHSZ-PKOBYXMFSA-N 2 0 347.547 2.594 10 30 EFEERP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485816456 1119313359 /nfs/dbraw/zinc/31/33/59/1119313359.db2.gz QNEOVTPQLNWQRM-SFHVURJKSA-N 2 0 326.444 2.659 10 30 EFEERP C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000262432043 240352374 /nfs/dbraw/zinc/35/23/74/240352374.db2.gz SPHPGFPUTSEVIN-RBUKOAKNSA-N 2 0 332.536 2.995 10 30 EFEERP C[NH+]=C(NCc1nccc2ccccc21)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000245629689 240258071 /nfs/dbraw/zinc/25/80/71/240258071.db2.gz PRGDKUVISVZKNK-HNAYVOBHSA-N 2 0 339.487 2.629 10 30 EFEERP C=CC[N@@H+](CCOC)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000361634725 242228784 /nfs/dbraw/zinc/22/87/84/242228784.db2.gz CAARBWPAKNXJEP-UHFFFAOYSA-N 2 0 331.504 2.853 10 30 EFEERP N#C[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414296947 244079448 /nfs/dbraw/zinc/07/94/48/244079448.db2.gz FWGNIVJADATDJB-RBUKOAKNSA-N 2 0 327.472 2.685 10 30 EFEERP N#Cc1csc(CN2CCC(c3ncc4n3CCCC4)CC2)n1 ZINC000555103278 318345481 /nfs/dbraw/zinc/34/54/81/318345481.db2.gz BIBSNCYESFRINY-UHFFFAOYSA-N 2 0 327.457 2.927 10 30 EFEERP N#Cc1cccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171139479 473300060 /nfs/dbraw/zinc/30/00/60/473300060.db2.gz DGZVXVRAUKYYPO-UHFFFAOYSA-N 2 0 340.471 2.695 10 30 EFEERP C=CCCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076733758 472393727 /nfs/dbraw/zinc/39/37/27/472393727.db2.gz MOOHSNBKRGKESJ-UHFFFAOYSA-N 2 0 329.488 2.797 10 30 EFEERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000130834558 472632520 /nfs/dbraw/zinc/63/25/20/472632520.db2.gz OIVHWBVYMUTSEE-NVXWUHKLSA-N 2 0 330.476 2.535 10 30 EFEERP C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ccc(C[NH+](C)C)cn1 ZINC000072420099 472663108 /nfs/dbraw/zinc/66/31/08/472663108.db2.gz HHROEIXAWDOKGG-GOSISDBHSA-N 2 0 333.476 2.579 10 30 EFEERP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000104327113 472667084 /nfs/dbraw/zinc/66/70/84/472667084.db2.gz HINWHTOYLRFZEP-UHFFFAOYSA-N 2 0 342.487 2.590 10 30 EFEERP N#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000065595701 472985935 /nfs/dbraw/zinc/98/59/35/472985935.db2.gz TUNMZITVVUWFRV-UHFFFAOYSA-N 2 0 340.471 2.695 10 30 EFEERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000081095981 473145990 /nfs/dbraw/zinc/14/59/90/473145990.db2.gz OVSKANFWJQHHFB-NVXWUHKLSA-N 2 0 331.460 2.608 10 30 EFEERP Cc1ccc(C#N)c(NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000126874979 473554462 /nfs/dbraw/zinc/55/44/62/473554462.db2.gz PWTMHXMEENRQEA-UHFFFAOYSA-N 2 0 327.476 2.624 10 30 EFEERP Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000182032737 474084417 /nfs/dbraw/zinc/08/44/17/474084417.db2.gz AVOCHIUWVUERIE-HNNXBMFYSA-N 2 0 337.471 2.775 10 30 EFEERP N#CCCOCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293531688 475025704 /nfs/dbraw/zinc/02/57/04/475025704.db2.gz JMCKDMDVQDVWTG-UHFFFAOYSA-N 2 0 327.472 2.905 10 30 EFEERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358576232 475781491 /nfs/dbraw/zinc/78/14/91/475781491.db2.gz SYJAJYCDEWQYLX-HOTGVXAUSA-N 2 0 332.467 2.622 10 30 EFEERP CC[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CCC#N)cn2)CC1 ZINC000343557508 476085870 /nfs/dbraw/zinc/08/58/70/476085870.db2.gz CKRGKEKZOFFXGY-UHFFFAOYSA-N 2 0 329.492 2.643 10 30 EFEERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000411759605 477357452 /nfs/dbraw/zinc/35/74/52/477357452.db2.gz QMFJQILYFLWUKQ-IBGZPJMESA-N 2 0 342.487 2.612 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417545091 477455539 /nfs/dbraw/zinc/45/55/39/477455539.db2.gz XDFMRIDVTGUJPZ-HNNXBMFYSA-N 2 0 330.476 2.546 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 ZINC000437102730 477670460 /nfs/dbraw/zinc/67/04/60/477670460.db2.gz HEKJXKCGGMMZCO-HJZRJOMTSA-N 2 0 342.487 2.963 10 30 EFEERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435147 478385815 /nfs/dbraw/zinc/38/58/15/478385815.db2.gz BJSTWQWOZUCSIY-SFHVURJKSA-N 2 0 330.476 2.508 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000594440654 478388311 /nfs/dbraw/zinc/38/83/11/478388311.db2.gz HKBQMAPLXIVNBO-GOSISDBHSA-N 2 0 334.508 2.512 10 30 EFEERP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000594439565 478389036 /nfs/dbraw/zinc/38/90/36/478389036.db2.gz XIPSGYQCZZQEOR-QZTJIDSGSA-N 2 0 334.508 2.512 10 30 EFEERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439220 478389295 /nfs/dbraw/zinc/38/92/95/478389295.db2.gz UEGPIILUIDEIJD-QFBILLFUSA-N 2 0 342.487 2.739 10 30 EFEERP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441869 478391310 /nfs/dbraw/zinc/39/13/10/478391310.db2.gz XLXHXFRFKVKCSX-OALUTQOASA-N 2 0 342.487 2.521 10 30 EFEERP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000562959991 478393675 /nfs/dbraw/zinc/39/36/75/478393675.db2.gz DKOXSWLSTBGTIM-ZGUYJTEBSA-N 2 0 328.460 2.893 10 30 EFEERP CC(C)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CC[NH+](C)CC1 ZINC000594495792 478411864 /nfs/dbraw/zinc/41/18/64/478411864.db2.gz WMCZMZZNKXOGEP-FQEVSTJZSA-N 2 0 342.531 2.849 10 30 EFEERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496067 478412685 /nfs/dbraw/zinc/41/26/85/478412685.db2.gz YPRNHFBLQJPMDT-QGZVFWFLSA-N 2 0 328.504 2.603 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527731863 478496407 /nfs/dbraw/zinc/49/64/07/478496407.db2.gz XTMWLYRGJDWKRK-IBGZPJMESA-N 2 0 348.535 2.733 10 30 EFEERP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000600738556 478498532 /nfs/dbraw/zinc/49/85/32/478498532.db2.gz JKOMTMHOEGFAJH-VQTJNVASSA-N 2 0 341.499 2.933 10 30 EFEERP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000594937881 478595971 /nfs/dbraw/zinc/59/59/71/478595971.db2.gz JLONPGXACNZBPP-QGZVFWFLSA-N 2 0 327.472 2.832 10 30 EFEERP C[NH+]1CCN(c2cc[nH+]c(NCc3c(F)cc(C#N)cc3F)c2)CC1 ZINC000601069225 478639002 /nfs/dbraw/zinc/63/90/02/478639002.db2.gz SGFONWXRKBVYFC-UHFFFAOYSA-N 2 0 343.381 2.595 10 30 EFEERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000595062672 478646523 /nfs/dbraw/zinc/64/65/23/478646523.db2.gz NUDURESAQWUNLZ-OXJNMPFZSA-N 2 0 328.504 2.797 10 30 EFEERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1 ZINC000595069881 478649942 /nfs/dbraw/zinc/64/99/42/478649942.db2.gz LWKJMWLAYUOZDB-IERDGZPVSA-N 2 0 335.451 2.976 10 30 EFEERP N#Cc1ccc(CN2CCN(c3ncc[nH]3)CC2)c(C(F)(F)F)c1 ZINC000595464180 478799418 /nfs/dbraw/zinc/79/94/18/478799418.db2.gz FAONVAQPHCIUHN-UHFFFAOYSA-N 2 0 335.333 2.622 10 30 EFEERP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000565045339 478897218 /nfs/dbraw/zinc/89/72/18/478897218.db2.gz YNRKTRSWFKKJKU-CXAGYDPISA-N 2 0 325.372 2.746 10 30 EFEERP Cc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C#N ZINC000599369566 479272523 /nfs/dbraw/zinc/27/25/23/479272523.db2.gz DYGNROCIJXMCKW-UHFFFAOYSA-N 2 0 340.515 2.716 10 30 EFEERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599372387 479274381 /nfs/dbraw/zinc/27/43/81/479274381.db2.gz IZTCOSBIWMFIES-NEWSRXKRSA-N 2 0 327.472 2.541 10 30 EFEERP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)CC3(C#N)CC3)C2)s1 ZINC000599405540 479286726 /nfs/dbraw/zinc/28/67/26/479286726.db2.gz YOAGXXIGODPVRC-DLBZAZTESA-N 2 0 347.528 2.865 10 30 EFEERP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000632986569 480835721 /nfs/dbraw/zinc/83/57/21/480835721.db2.gz CNEQBJTVNBICJB-UHFFFAOYSA-N 2 0 348.535 2.687 10 30 EFEERP C=CC[NH+]1CCC(NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CC1 ZINC000633042285 480856062 /nfs/dbraw/zinc/85/60/62/480856062.db2.gz RZPGROWHOFGHHX-UHFFFAOYSA-N 2 0 348.535 2.687 10 30 EFEERP C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705273 481273215 /nfs/dbraw/zinc/27/32/15/481273215.db2.gz AVYRNTUORXNLPC-NLWGTHIKSA-N 2 0 330.472 2.970 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000662662153 481922196 /nfs/dbraw/zinc/92/21/96/481922196.db2.gz AQJKQBWOKOFOEU-UYAOXDASSA-N 2 0 329.488 2.666 10 30 EFEERP C=CC[C@@]1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000662675067 481927687 /nfs/dbraw/zinc/92/76/87/481927687.db2.gz JXTYLADMCWAQDA-FQEVSTJZSA-N 2 0 327.472 2.597 10 30 EFEERP C=CC[C@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000662675320 481927995 /nfs/dbraw/zinc/92/79/95/481927995.db2.gz LDLGRDUSQWOXNE-HXUWFJFHSA-N 2 0 329.488 2.841 10 30 EFEERP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000651743566 481928793 /nfs/dbraw/zinc/92/87/93/481928793.db2.gz ZUGMGBPKQNRTIC-HOJAQTOUSA-N 2 0 343.515 2.610 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC[NH2+]1 ZINC000662697871 481937937 /nfs/dbraw/zinc/93/79/37/481937937.db2.gz DPJYHEOTZGXMNP-AZUAARDMSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC[NH2+]1 ZINC000662698220 481939956 /nfs/dbraw/zinc/93/99/56/481939956.db2.gz JTMWWJQIJVGHOD-VQIMIIECSA-N 2 0 347.528 2.775 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000662697951 481940204 /nfs/dbraw/zinc/94/02/04/481940204.db2.gz FOFJVNGADOVEKI-WSTZPKSXSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662700387 481941676 /nfs/dbraw/zinc/94/16/76/481941676.db2.gz IATMKJNFSWMUAZ-TZIWHRDSSA-N 2 0 341.499 2.946 10 30 EFEERP C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662700384 481941714 /nfs/dbraw/zinc/94/17/14/481941714.db2.gz IATMKJNFSWMUAZ-FPOVZHCZSA-N 2 0 341.499 2.946 10 30 EFEERP C=CC[C@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662750708 481958912 /nfs/dbraw/zinc/95/89/12/481958912.db2.gz DPRQCCACSZOUQX-YLJYHZDGSA-N 2 0 329.488 2.712 10 30 EFEERP C=CC[C@]1(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662805552 481978853 /nfs/dbraw/zinc/97/88/53/481978853.db2.gz YVXIFJJYRBWYCJ-HFSMHLIXSA-N 2 0 341.499 2.712 10 30 EFEERP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171651435 526525472 /nfs/dbraw/zinc/52/54/72/526525472.db2.gz YYMAJSKAOUSMCY-QGZVFWFLSA-N 2 0 330.476 2.548 10 30 EFEERP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691397765 1248737918 /nfs/dbraw/zinc/73/79/18/1248737918.db2.gz BNMIIUFQHSMKQR-NZSAHSFTSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC(C)(C)C1 ZINC001750946583 1249027007 /nfs/dbraw/zinc/02/70/07/1249027007.db2.gz HKNYNXQTMHSXOF-SJORKVTESA-N 2 0 341.515 2.849 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691789786 1249224299 /nfs/dbraw/zinc/22/42/99/1249224299.db2.gz AZKJHKMIMXJXHV-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001268121789 1249697505 /nfs/dbraw/zinc/69/75/05/1249697505.db2.gz XIHILANXGNKSIB-MJGOQNOKSA-N 2 0 335.536 2.949 10 30 EFEERP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691075935 1248362935 /nfs/dbraw/zinc/36/29/35/1248362935.db2.gz WCSPCIDSGJQKOY-RTBURBONSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC001691226308 1248552418 /nfs/dbraw/zinc/55/24/18/1248552418.db2.gz WRGNQVFUUFAYFK-IBGZPJMESA-N 2 0 339.499 2.746 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001691547835 1251762276 /nfs/dbraw/zinc/76/22/76/1251762276.db2.gz PRPUFTHTJRJGHS-CEXWTWQISA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001691585248 1251794018 /nfs/dbraw/zinc/79/40/18/1251794018.db2.gz UDXYLNKFWJDATK-UXHICEINSA-N 2 0 347.547 2.999 10 30 EFEERP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001691635972 1251963493 /nfs/dbraw/zinc/96/34/93/1251963493.db2.gz BLJWENLVXIZEMM-LJQANCHMSA-N 2 0 333.520 2.637 10 30 EFEERP C=CCCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001272675053 1252088710 /nfs/dbraw/zinc/08/87/10/1252088710.db2.gz FLSFWQGDNNSALW-LJQANCHMSA-N 2 0 329.488 2.795 10 30 EFEERP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001484772324 1252942640 /nfs/dbraw/zinc/94/26/40/1252942640.db2.gz QRXLPTFACKSUNR-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001670933608 1258754883 /nfs/dbraw/zinc/75/48/83/1258754883.db2.gz ZSNASVRSMCIWCH-RAFMOHDBSA-N 2 0 345.531 2.796 10 30 EFEERP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001670988995 1259345466 /nfs/dbraw/zinc/34/54/66/1259345466.db2.gz DMVLXBDPMPWOKG-KRWDZBQOSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001671039568 1259843516 /nfs/dbraw/zinc/84/35/16/1259843516.db2.gz OYZFYVYZYQTYEL-ICSRJNTNSA-N 2 0 335.536 2.997 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000921773283 1261383893 /nfs/dbraw/zinc/38/38/93/1261383893.db2.gz YJDCBROJXCZEHN-QFIPXVFZSA-N 2 0 349.478 2.902 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001486094269 1262617803 /nfs/dbraw/zinc/61/78/03/1262617803.db2.gz YDKZHURYUXLEBX-APWZRJJASA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001486222631 1262827640 /nfs/dbraw/zinc/82/76/40/1262827640.db2.gz YUKGTPJIPCBJKA-VQIMIIECSA-N 2 0 329.488 2.812 10 30 EFEERP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC001486242477 1262844310 /nfs/dbraw/zinc/84/43/10/1262844310.db2.gz KSRFPYISNRQOKA-LJQANCHMSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001486251015 1262856718 /nfs/dbraw/zinc/85/67/18/1262856718.db2.gz VGBFSDVGSYGVDZ-INIZCTEOSA-N 2 0 341.927 2.832 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C(F)(F)F ZINC001486451742 1263147773 /nfs/dbraw/zinc/14/77/73/1263147773.db2.gz BIFLCAGVFAMXRM-GJZGRUSLSA-N 2 0 349.441 2.663 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001273205287 1263207928 /nfs/dbraw/zinc/20/79/28/1263207928.db2.gz YEUWMXDYNGFCKJ-HOTGVXAUSA-N 2 0 329.916 2.734 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)c(F)c1 ZINC001486524243 1263328403 /nfs/dbraw/zinc/32/84/03/1263328403.db2.gz VSXWXNDBQXHJMA-UHFFFAOYSA-N 2 0 347.478 2.982 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691670365 1266678100 /nfs/dbraw/zinc/67/81/00/1266678100.db2.gz MHAFVRASQRQDEF-MJGOQNOKSA-N 2 0 335.536 2.994 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001273100318 1267673639 /nfs/dbraw/zinc/67/36/39/1267673639.db2.gz VSBKYENIDAXEID-KRWDZBQOSA-N 2 0 333.520 2.539 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001411206863 1271946854 /nfs/dbraw/zinc/94/68/54/1271946854.db2.gz FVGSYWDKYALABJ-OAHLLOKOSA-N 2 0 341.927 2.735 10 30 EFEERP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903459297 1312713649 /nfs/dbraw/zinc/71/36/49/1312713649.db2.gz GCMDYIFBAJBCCN-UYAOXDASSA-N 2 0 327.472 2.893 10 30 EFEERP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903460673 1312715527 /nfs/dbraw/zinc/71/55/27/1312715527.db2.gz HMTMAORTQPWLEO-JQHSSLGASA-N 2 0 333.863 2.930 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876768534 1291012933 /nfs/dbraw/zinc/01/29/33/1291012933.db2.gz XBGSGMOZKQHTHV-IHETXDGRSA-N 2 0 349.906 2.729 10 30 EFEERP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000876903151 1291065935 /nfs/dbraw/zinc/06/59/35/1291065935.db2.gz RKSXVVZEWDWDMZ-JQHSSLGASA-N 2 0 349.906 2.873 10 30 EFEERP C=CC[C@]1(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCC[NH2+]1 ZINC000877444699 1291237888 /nfs/dbraw/zinc/23/78/88/1291237888.db2.gz OUIIRNWOKLEIIH-IMFGXOCKSA-N 2 0 333.520 2.831 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001273599025 1292115774 /nfs/dbraw/zinc/11/57/74/1292115774.db2.gz MSFZZGJKDOSMTL-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP CC[NH+]=C(NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)NC1CC1 ZINC000095408855 1292129532 /nfs/dbraw/zinc/12/95/32/1292129532.db2.gz XZFCOFGUFDRTEX-INIZCTEOSA-N 2 0 344.503 2.604 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001273606542 1292296128 /nfs/dbraw/zinc/29/61/28/1292296128.db2.gz ADXFJFUQSRRONZ-VQTJNVASSA-N 2 0 347.547 2.835 10 30 EFEERP CC[NH+]=C(NC[C@@H](C)c1ccc(F)c(F)c1)NC[C@@H]1CC[N@H+](C)C1 ZINC000095963524 1292626939 /nfs/dbraw/zinc/62/69/39/1292626939.db2.gz NDWVMTDZPANZTF-KGLIPLIRSA-N 2 0 338.446 2.575 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)C[C@@H]2C)CC1 ZINC001277785598 1312942850 /nfs/dbraw/zinc/94/28/50/1312942850.db2.gz LUZCYJZNEZXRDY-AZUAARDMSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1Cc2ccccc2O1 ZINC000883186207 1293498673 /nfs/dbraw/zinc/49/86/73/1293498673.db2.gz NOYAUIOJZHOMGW-LMNJBCLMSA-N 2 0 343.515 2.550 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001274885971 1296202224 /nfs/dbraw/zinc/20/22/24/1296202224.db2.gz VYTMMRYUSGTSRU-MOPGFXCFSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001274885973 1296202804 /nfs/dbraw/zinc/20/28/04/1296202804.db2.gz VYTMMRYUSGTSRU-RBUKOAKNSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001273833694 1296245681 /nfs/dbraw/zinc/24/56/81/1296245681.db2.gz QFNPRNGWJACPOC-TZIWHRDSSA-N 2 0 345.531 2.609 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001488998187 1297952470 /nfs/dbraw/zinc/95/24/70/1297952470.db2.gz MXPBWAFAVOMIAW-WMLDXEAASA-N 2 0 341.927 2.688 10 30 EFEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)Cc1ccccc1 ZINC001489060549 1297991264 /nfs/dbraw/zinc/99/12/64/1297991264.db2.gz GJOJOUSSDSMTPT-MJGOQNOKSA-N 2 0 329.488 2.521 10 30 EFEERP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)Cc1ccccc1 ZINC001489060559 1297991703 /nfs/dbraw/zinc/99/17/03/1297991703.db2.gz GTYBJCJIKQXPII-QUCCMNQESA-N 2 0 343.515 2.911 10 30 EFEERP C=C(C)CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001489087370 1298010506 /nfs/dbraw/zinc/01/05/06/1298010506.db2.gz QNKJVHVEYLSCGZ-FGTMMUONSA-N 2 0 347.547 2.900 10 30 EFEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001489241367 1298151674 /nfs/dbraw/zinc/15/16/74/1298151674.db2.gz CGSCDNPWIZYGDJ-FQEVSTJZSA-N 2 0 341.499 2.746 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCC=C)C2)CC1 ZINC001490458394 1298935675 /nfs/dbraw/zinc/93/56/75/1298935675.db2.gz OTCDWCMFWXXIQU-HXUWFJFHSA-N 2 0 345.531 2.659 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765083 1299212561 /nfs/dbraw/zinc/21/25/61/1299212561.db2.gz BYNGJJIAJDWBOT-ZWKOTPCHSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001490777284 1299242303 /nfs/dbraw/zinc/24/23/03/1299242303.db2.gz OUJUSSXGSWHNSG-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001490794194 1299263552 /nfs/dbraw/zinc/26/35/52/1299263552.db2.gz WIJGDRRTEPJTIQ-OKYOBFRVSA-N 2 0 331.504 2.645 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001490794190 1299263646 /nfs/dbraw/zinc/26/36/46/1299263646.db2.gz WIJGDRRTEPJTIQ-AKHDSKFASA-N 2 0 331.504 2.645 10 30 EFEERP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001490794196 1299264453 /nfs/dbraw/zinc/26/44/53/1299264453.db2.gz WIJGDRRTEPJTIQ-YRXWBPOGSA-N 2 0 331.504 2.645 10 30 EFEERP CCCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763634 1299875416 /nfs/dbraw/zinc/87/54/16/1299875416.db2.gz CDNZHGRZPIUNEE-QGZVFWFLSA-N 2 0 333.524 2.969 10 30 EFEERP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001278151247 1313714295 /nfs/dbraw/zinc/71/42/95/1313714295.db2.gz LFDXAJRCORFGBA-HXUWFJFHSA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC(CC)CC)CC1 ZINC001278200488 1313781471 /nfs/dbraw/zinc/78/14/71/1313781471.db2.gz KQBUILSXFGNYIA-UHFFFAOYSA-N 2 0 335.536 2.689 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200575 1313781524 /nfs/dbraw/zinc/78/15/24/1313781524.db2.gz NJHZXXBCEVGZNB-ROUUACIJSA-N 2 0 345.531 2.586 10 30 EFEERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000865472374 1303272243 /nfs/dbraw/zinc/27/22/43/1303272243.db2.gz ZSOLDCRBUCVAFX-CALCHBBNSA-N 2 0 344.503 2.603 10 30 EFEERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)[C@H](C)C1 ZINC000866445318 1303644533 /nfs/dbraw/zinc/64/45/33/1303644533.db2.gz JCDODRCAWUPRPN-APWZRJJASA-N 2 0 326.488 2.847 10 30 EFEERP C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000866444742 1303644656 /nfs/dbraw/zinc/64/46/56/1303644656.db2.gz CLBJJTBXVVIDMR-MRXNPFEDSA-N 2 0 326.488 2.847 10 30 EFEERP C=CCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCCC1 ZINC000870018162 1305087288 /nfs/dbraw/zinc/08/72/88/1305087288.db2.gz XAQBQJPZAACXHF-QZTJIDSGSA-N 2 0 335.536 2.711 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001276612347 1314083504 /nfs/dbraw/zinc/08/35/04/1314083504.db2.gz QBXLHJFRWXENLA-AEFFLSMTSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001276624615 1314117304 /nfs/dbraw/zinc/11/73/04/1314117304.db2.gz KYOKDQJONVPHEY-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000900404477 1308131330 /nfs/dbraw/zinc/13/13/30/1308131330.db2.gz HOJZWZPROLXYRT-LJQANCHMSA-N 2 0 329.488 2.665 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000900437792 1308162934 /nfs/dbraw/zinc/16/29/34/1308162934.db2.gz YQJJNNWDJKSDMP-UHFFFAOYSA-N 2 0 333.501 2.682 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000900465374 1308187259 /nfs/dbraw/zinc/18/72/59/1308187259.db2.gz ZRYSXXUVRPZTLB-UHFFFAOYSA-N 2 0 347.528 2.990 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000900734505 1308601563 /nfs/dbraw/zinc/60/15/63/1308601563.db2.gz VQPVAPYBJGBKBU-KRWDZBQOSA-N 2 0 329.488 2.836 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000900963412 1309056372 /nfs/dbraw/zinc/05/63/72/1309056372.db2.gz RQENPVKKZMVNAT-UHFFFAOYSA-N 2 0 329.488 2.617 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000901064301 1309336087 /nfs/dbraw/zinc/33/60/87/1309336087.db2.gz OUZRSRZGOBQHJP-RUYXUALKSA-N 2 0 343.515 2.767 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000901086916 1309414671 /nfs/dbraw/zinc/41/46/71/1309414671.db2.gz CZPOIRLXOJHOPW-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901359909 1310224844 /nfs/dbraw/zinc/22/48/44/1310224844.db2.gz HBAARXPOLQNVQJ-MJGOQNOKSA-N 2 0 329.488 2.521 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276996590 1311434102 /nfs/dbraw/zinc/43/41/02/1311434102.db2.gz ZDAYLSVYOOQOIP-ZHALLVOQSA-N 2 0 333.520 2.844 10 30 EFEERP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001277285834 1311919778 /nfs/dbraw/zinc/91/97/78/1311919778.db2.gz QYIXRDOFGYDOPM-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CCC)C1 ZINC001277283664 1311923432 /nfs/dbraw/zinc/92/34/32/1311923432.db2.gz GTRRPUUFAGYKOU-RTBURBONSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277359559 1312053086 /nfs/dbraw/zinc/05/30/86/1312053086.db2.gz FEIDIARPEIPTMQ-OTWHNJEPSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1ccnc1 ZINC001277368897 1312067090 /nfs/dbraw/zinc/06/70/90/1312067090.db2.gz NTMURIWQLVXTLT-MSOLQXFVSA-N 2 0 330.476 2.695 10 30 EFEERP C=CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902740473 1312067133 /nfs/dbraw/zinc/06/71/33/1312067133.db2.gz VEBRSVDCPWXPBT-AZUAARDMSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@@]1(C)CCCCO1 ZINC000902789132 1312108892 /nfs/dbraw/zinc/10/88/92/1312108892.db2.gz CIJPQARLGKUMDK-HSALFYBXSA-N 2 0 337.552 2.754 10 30 EFEERP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cc(C#N)ccn2)[C@@H](C)C1 ZINC000902806032 1312122567 /nfs/dbraw/zinc/12/25/67/1312122567.db2.gz HZXOSTKFGZTQAL-BQFCYCMXSA-N 2 0 330.476 2.741 10 30 EFEERP C=CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@]1(C)CCCCO1 ZINC000902833241 1312141653 /nfs/dbraw/zinc/14/16/53/1312141653.db2.gz YNIYEMZXOZQQJW-UXHICEINSA-N 2 0 337.552 2.896 10 30 EFEERP C=CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@]1(C)CCCCO1 ZINC000902981608 1312258572 /nfs/dbraw/zinc/25/85/72/1312258572.db2.gz PSVOXDNPAQHPHO-QUCCMNQESA-N 2 0 337.552 2.896 10 30 EFEERP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CCCCCC)C2)C1 ZINC001277474021 1312393370 /nfs/dbraw/zinc/39/33/70/1312393370.db2.gz MGOGSMAMDFNGJA-OAQYLSRUSA-N 2 0 347.547 2.836 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001277473209 1312398979 /nfs/dbraw/zinc/39/89/79/1312398979.db2.gz BDUZLTOIWWAGJM-UYAOXDASSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001277537358 1312527481 /nfs/dbraw/zinc/52/74/81/1312527481.db2.gz BCTLKJPXUSLARW-FQEVSTJZSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001278487161 1314789571 /nfs/dbraw/zinc/78/95/71/1314789571.db2.gz MBQWTSOTWKYYOT-OKZBNKHCSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001278603322 1315262977 /nfs/dbraw/zinc/26/29/77/1315262977.db2.gz YRUPNGAJHMUYMF-IEBWSBKVSA-N 2 0 329.488 2.812 10 30 EFEERP C#CCC[NH+]1CCC(C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001278617820 1315300395 /nfs/dbraw/zinc/30/03/95/1315300395.db2.gz LLGXOHAMWMVZSR-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001278676494 1315485542 /nfs/dbraw/zinc/48/55/42/1315485542.db2.gz HUUOVYLYBMKNEM-ROUUACIJSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001278703771 1315581855 /nfs/dbraw/zinc/58/18/55/1315581855.db2.gz MKHJUERRNBAVML-GJZGRUSLSA-N 2 0 349.441 2.519 10 30 EFEERP C=CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001279021969 1316072961 /nfs/dbraw/zinc/07/29/61/1316072961.db2.gz RJVCEGORWWUBHC-ZWKOTPCHSA-N 2 0 331.504 2.986 10 30 EFEERP C=CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001279021966 1316073052 /nfs/dbraw/zinc/07/30/52/1316073052.db2.gz RJVCEGORWWUBHC-MSOLQXFVSA-N 2 0 331.504 2.986 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001264055995 1316584350 /nfs/dbraw/zinc/58/43/50/1316584350.db2.gz WTBSNAPUGXCSMU-ZWKOTPCHSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001264196717 1316600056 /nfs/dbraw/zinc/60/00/56/1316600056.db2.gz JUMNZXXRXFMAKI-QZTJIDSGSA-N 2 0 335.536 2.900 10 30 EFEERP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496978 1316620787 /nfs/dbraw/zinc/62/07/87/1316620787.db2.gz IIFFXHOMWNETHJ-MOPGFXCFSA-N 2 0 347.547 2.833 10 30 EFEERP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001264496979 1316620792 /nfs/dbraw/zinc/62/07/92/1316620792.db2.gz IIFFXHOMWNETHJ-OALUTQOASA-N 2 0 347.547 2.833 10 30 EFEERP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001264745599 1316665387 /nfs/dbraw/zinc/66/53/87/1316665387.db2.gz MEZBBWVCBWSZNC-IBGZPJMESA-N 2 0 333.520 2.589 10 30 EFEERP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001264753780 1316668630 /nfs/dbraw/zinc/66/86/30/1316668630.db2.gz OBCVCAMUCSBMOO-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001265134390 1316732264 /nfs/dbraw/zinc/73/22/64/1316732264.db2.gz SNIUYNCPEKWFPI-LJQANCHMSA-N 2 0 341.515 2.993 10 30 EFEERP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001265329339 1316783624 /nfs/dbraw/zinc/78/36/24/1316783624.db2.gz DRBLCVCPUARIRY-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001265332453 1316784431 /nfs/dbraw/zinc/78/44/31/1316784431.db2.gz UWVSJPKPTFTCBV-KRWDZBQOSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265390637 1316795659 /nfs/dbraw/zinc/79/56/59/1316795659.db2.gz JMBFLQOVRMLUBB-OALUTQOASA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265394523 1316797572 /nfs/dbraw/zinc/79/75/72/1316797572.db2.gz DCXDODUQQYBGRZ-MSOLQXFVSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265522637 1316818946 /nfs/dbraw/zinc/81/89/46/1316818946.db2.gz ACLNCSFKKXOKFB-QZTJIDSGSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001265544624 1316823553 /nfs/dbraw/zinc/82/35/53/1316823553.db2.gz NHNCGBAEDXTCNJ-ZSYWTGECSA-N 2 0 333.520 2.987 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001265697097 1316857586 /nfs/dbraw/zinc/85/75/86/1316857586.db2.gz OCOSTDIRPJXXKC-ZWKOTPCHSA-N 2 0 333.520 2.750 10 30 EFEERP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001266103872 1317041181 /nfs/dbraw/zinc/04/11/81/1317041181.db2.gz ZQHKPLWSGSAKKY-INIZCTEOSA-N 2 0 335.517 2.922 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001266191397 1317135720 /nfs/dbraw/zinc/13/57/20/1317135720.db2.gz BLUACYUNARGUJO-JLAWEPINSA-N 2 0 347.547 2.642 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266219943 1317160199 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BOAGSOPOVXIGIT-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001280333406 1317510655 /nfs/dbraw/zinc/51/06/55/1317510655.db2.gz JOLDPILFQGBRGB-UHFFFAOYSA-N 2 0 329.488 2.653 10 30 EFEERP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+]1CCCCC1 ZINC001280339990 1317511437 /nfs/dbraw/zinc/51/14/37/1317511437.db2.gz DGEGRMVQYLEUMN-UHFFFAOYSA-N 2 0 341.499 2.634 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001280367957 1317527807 /nfs/dbraw/zinc/52/78/07/1317527807.db2.gz XKVCEZAGYIMDHZ-VJANTYMQSA-N 2 0 333.520 2.844 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001280370114 1317528915 /nfs/dbraw/zinc/52/89/15/1317528915.db2.gz VZOKFFYUSGXNGG-WGSAOQKQSA-N 2 0 347.547 2.929 10 30 EFEERP C=CCCC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001280427101 1317556452 /nfs/dbraw/zinc/55/64/52/1317556452.db2.gz RSAWXMRDAWSYID-UHFFFAOYSA-N 2 0 329.488 2.579 10 30 EFEERP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@@H+](C)CCC)C1 ZINC001280889104 1317880773 /nfs/dbraw/zinc/88/07/73/1317880773.db2.gz JVWJASNBTZRLBS-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001281030811 1317981361 /nfs/dbraw/zinc/98/13/61/1317981361.db2.gz AUQARZOMJIJMTN-MSOLQXFVSA-N 2 0 333.520 2.940 10 30 EFEERP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001281030883 1317981597 /nfs/dbraw/zinc/98/15/97/1317981597.db2.gz DIDVJUNDTPCEDG-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)CC[N@@H+](C)CC)cc2C1 ZINC001281298370 1318154852 /nfs/dbraw/zinc/15/48/52/1318154852.db2.gz JZCLXCRLSSUUBN-UHFFFAOYSA-N 2 0 329.488 2.926 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001281795796 1318586797 /nfs/dbraw/zinc/58/67/97/1318586797.db2.gz DIGLRIFMEBZEHC-IBGZPJMESA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001281795723 1318587224 /nfs/dbraw/zinc/58/72/24/1318587224.db2.gz BALGLKCYVNBWIG-UHFFFAOYSA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001281844709 1318602294 /nfs/dbraw/zinc/60/22/94/1318602294.db2.gz AWQLTCUIOJIUKM-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001281844903 1318603215 /nfs/dbraw/zinc/60/32/15/1318603215.db2.gz GIQJDYCMGVXSIK-GOSISDBHSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001282059425 1318691983 /nfs/dbraw/zinc/69/19/83/1318691983.db2.gz ZWMHZIQSBFCPCL-LADRWXRNSA-N 2 0 339.499 2.650 10 30 EFEERP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001282274561 1318821491 /nfs/dbraw/zinc/82/14/91/1318821491.db2.gz KOVMYUIVLLIDNT-QLOJAFMTSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+][C@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001282558689 1318998089 /nfs/dbraw/zinc/99/80/89/1318998089.db2.gz SOLOGFUQGRPKLO-GOSISDBHSA-N 2 0 328.460 2.905 10 30 EFEERP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001282742090 1319103542 /nfs/dbraw/zinc/10/35/42/1319103542.db2.gz XGMRZMIBVSQEMF-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001282972377 1319229509 /nfs/dbraw/zinc/22/95/09/1319229509.db2.gz IAMVMNLRCLPOLV-QZTJIDSGSA-N 2 0 335.536 2.852 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282993160 1319243230 /nfs/dbraw/zinc/24/32/30/1319243230.db2.gz VFARCYIDMPTAOJ-JYAXBFRTSA-N 2 0 347.547 2.853 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001283204705 1319422480 /nfs/dbraw/zinc/42/24/80/1319422480.db2.gz MCOYLAYNYDHGGU-AWEZNQCLSA-N 2 0 347.850 2.508 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CCCCCC2)CC1 ZINC001319284326 1328831503 /nfs/dbraw/zinc/83/15/03/1328831503.db2.gz GHYVYSIGSAMKIV-GOSISDBHSA-N 2 0 347.547 2.644 10 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C=CCC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001284693874 1320478464 /nfs/dbraw/zinc/47/84/64/1320478464.db2.gz IIPYAZMNCHADKY-IAGOWNOFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001284699622 1320481670 /nfs/dbraw/zinc/48/16/70/1320481670.db2.gz IJUQXBBHSNYRMT-DNVCBOLYSA-N 2 0 339.499 2.602 10 30 EFEERP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2C)CCN(Cc2ccccc2)CC1 ZINC001284731006 1320496811 /nfs/dbraw/zinc/49/68/11/1320496811.db2.gz BLGYNHRGRVWACH-IEBWSBKVSA-N 2 0 341.499 2.569 10 30 EFEERP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319610085 1328929327 /nfs/dbraw/zinc/92/93/27/1328929327.db2.gz RIPZLCPGKSKFGL-ZWKOTPCHSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001319652238 1328939363 /nfs/dbraw/zinc/93/93/63/1328939363.db2.gz WANINFXVKLYICU-UXHICEINSA-N 2 0 347.547 2.949 10 30 EFEERP C=C(C)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC001319663173 1328943447 /nfs/dbraw/zinc/94/34/47/1328943447.db2.gz MHNZFRJQSAQOSZ-LJQANCHMSA-N 2 0 335.536 2.949 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316642905 1321305726 /nfs/dbraw/zinc/30/57/26/1321305726.db2.gz XJFAWHYQNVXQKP-GUDVDZBRSA-N 2 0 335.536 2.948 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CCC(=C)C)C2)CC1 ZINC001319831527 1329007106 /nfs/dbraw/zinc/00/71/06/1329007106.db2.gz KNCMCAWMZADMQQ-AZUAARDMSA-N 2 0 345.531 2.515 10 30 EFEERP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001319822437 1329004093 /nfs/dbraw/zinc/00/40/93/1329004093.db2.gz YEAQSMVJMIXXMU-HKUYNNGSSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319862887 1329019400 /nfs/dbraw/zinc/01/94/00/1329019400.db2.gz HYOZFJRNJVKVTF-YLJYHZDGSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319862883 1329019988 /nfs/dbraw/zinc/01/99/88/1329019988.db2.gz HYOZFJRNJVKVTF-PXNSSMCTSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001316660697 1323022042 /nfs/dbraw/zinc/02/20/42/1323022042.db2.gz VBIAIQKSYXRKCG-FRQCXROJSA-N 2 0 339.499 2.650 10 30 EFEERP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316664351 1323514590 /nfs/dbraw/zinc/51/45/90/1323514590.db2.gz LTGAIBKLDHRSOY-SXLOBPIMSA-N 2 0 341.499 2.577 10 30 EFEERP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001492112582 1324216655 /nfs/dbraw/zinc/21/66/55/1324216655.db2.gz DIOKTFAUMCZSNA-QAPCUYQASA-N 2 0 349.906 2.516 10 30 EFEERP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492085201 1324245500 /nfs/dbraw/zinc/24/55/00/1324245500.db2.gz MNBMXEBJTORPBZ-CRAIPNDOSA-N 2 0 327.488 2.650 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001492171879 1324309959 /nfs/dbraw/zinc/30/99/59/1324309959.db2.gz SFRQBEREJUDEER-MOPGFXCFSA-N 2 0 333.520 2.635 10 30 EFEERP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001492178541 1324319034 /nfs/dbraw/zinc/31/90/34/1324319034.db2.gz PELWTOCQVCFGFT-PMACEKPBSA-N 2 0 347.547 2.881 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001316706936 1324668019 /nfs/dbraw/zinc/66/80/19/1324668019.db2.gz YFTPARWTHZKXBK-MJGOQNOKSA-N 2 0 335.536 2.900 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC2CCCCCC2)CC1 ZINC001317471796 1324771352 /nfs/dbraw/zinc/77/13/52/1324771352.db2.gz PLJVXNBQIXMXKY-UHFFFAOYSA-N 2 0 347.547 2.740 10 30 EFEERP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001316804135 1325051548 /nfs/dbraw/zinc/05/15/48/1325051548.db2.gz CCOVLJZTBLPECR-FHWLQOOXSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001316775209 1325129150 /nfs/dbraw/zinc/12/91/50/1325129150.db2.gz YMXNOPUETYCANL-RBUKOAKNSA-N 2 0 333.520 2.633 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001316806353 1325156958 /nfs/dbraw/zinc/15/69/58/1325156958.db2.gz GWBZHSZXOLDANB-IBGZPJMESA-N 2 0 335.536 2.997 10 30 EFEERP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001316905179 1325311776 /nfs/dbraw/zinc/31/17/76/1325311776.db2.gz ZGGCBEUDIHBQKS-HOTGVXAUSA-N 2 0 327.900 2.584 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCCC)C2)CC1 ZINC001316950905 1325410179 /nfs/dbraw/zinc/41/01/79/1325410179.db2.gz FFLVEBMAJXGFMG-FQEVSTJZSA-N 2 0 347.547 2.883 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CC(=C)C)CC2)CC1 ZINC001317004837 1325474982 /nfs/dbraw/zinc/47/49/82/1325474982.db2.gz DHSWOBSGFLXISZ-UHFFFAOYSA-N 2 0 345.531 2.611 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317040370 1325508916 /nfs/dbraw/zinc/50/89/16/1325508916.db2.gz CVXBNDFDSKASKG-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317041834 1325509694 /nfs/dbraw/zinc/50/96/94/1325509694.db2.gz JFUKZMBLZIPEQT-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317046518 1325515849 /nfs/dbraw/zinc/51/58/49/1325515849.db2.gz XLKNGCSNPYJKHT-GOSISDBHSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317046747 1325517557 /nfs/dbraw/zinc/51/75/57/1325517557.db2.gz XADBURRZHUKYMT-LJQANCHMSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001317104362 1325571956 /nfs/dbraw/zinc/57/19/56/1325571956.db2.gz JAMYDBFUMGAGFD-MOPGFXCFSA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317144806 1327639061 /nfs/dbraw/zinc/63/90/61/1327639061.db2.gz VCZOHJIFEWPFAQ-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317153888 1327647591 /nfs/dbraw/zinc/64/75/91/1327647591.db2.gz SFJDCWWAPLORNX-GOSISDBHSA-N 2 0 333.520 2.657 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317153889 1327648298 /nfs/dbraw/zinc/64/82/98/1327648298.db2.gz SFJDCWWAPLORNX-SFHVURJKSA-N 2 0 333.520 2.657 10 30 EFEERP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208791 1327745600 /nfs/dbraw/zinc/74/56/00/1327745600.db2.gz NRXJRARBAWKXHH-WOJBJXKFSA-N 2 0 345.531 2.731 10 30 EFEERP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001317208788 1327746081 /nfs/dbraw/zinc/74/60/81/1327746081.db2.gz NRXJRARBAWKXHH-UXHICEINSA-N 2 0 345.531 2.731 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317340811 1327870513 /nfs/dbraw/zinc/87/05/13/1327870513.db2.gz WSIUGXIKNHZWBE-MSOLQXFVSA-N 2 0 335.536 2.900 10 30 EFEERP C=C(C)C[NH2+]CCc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001317366144 1327904761 /nfs/dbraw/zinc/90/47/61/1327904761.db2.gz JWXYLVJDKGTRLC-UHFFFAOYSA-N 2 0 341.499 2.639 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001317531683 1328118449 /nfs/dbraw/zinc/11/84/49/1328118449.db2.gz BXSMOVNAMFGYRY-HKUYNNGSSA-N 2 0 329.488 2.694 10 30 EFEERP C#CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)c1ccccc1 ZINC001317727778 1328338089 /nfs/dbraw/zinc/33/80/89/1328338089.db2.gz XQOUJKQVBTVMEC-SFTDATJTSA-N 2 0 349.478 2.760 10 30 EFEERP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317761834 1328358973 /nfs/dbraw/zinc/35/89/73/1328358973.db2.gz QBSKIIUITPMWDV-SFHVURJKSA-N 2 0 338.455 2.593 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001317762741 1328360809 /nfs/dbraw/zinc/36/08/09/1328360809.db2.gz CEIANRTVSVSEDU-MJGOQNOKSA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317848499 1328415817 /nfs/dbraw/zinc/41/58/17/1328415817.db2.gz MTIFTUYRHZXRCM-UYAOXDASSA-N 2 0 345.531 2.587 10 30 EFEERP 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ZINC001323709236 1329564042 /nfs/dbraw/zinc/56/40/42/1329564042.db2.gz XTWZQGLTXOPAJL-GOSISDBHSA-N 2 0 333.520 2.635 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001323736151 1329566845 /nfs/dbraw/zinc/56/68/45/1329566845.db2.gz KRZQWQOGCYYFIY-AZUAARDMSA-N 2 0 347.547 2.996 10 30 EFEERP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001323736154 1329567127 /nfs/dbraw/zinc/56/71/27/1329567127.db2.gz KRZQWQOGCYYFIY-QUCCMNQESA-N 2 0 347.547 2.996 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001323830743 1329575966 /nfs/dbraw/zinc/57/59/66/1329575966.db2.gz BCCVSORNBJRMTL-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001323836150 1329576790 /nfs/dbraw/zinc/57/67/90/1329576790.db2.gz PGKUTXPIVOODGZ-UHFFFAOYSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001323858645 1329579636 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GOHARMPKCGJMCH-IEWDOMPSSA-N 2 0 333.520 2.795 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001325655979 1329704126 /nfs/dbraw/zinc/70/41/26/1329704126.db2.gz IOHQMCYHXRWKDG-BRSBDYLESA-N 2 0 344.503 2.992 10 30 EFEERP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001325689181 1329706725 /nfs/dbraw/zinc/70/67/25/1329706725.db2.gz FCEAEBWLUMZPQT-HXUWFJFHSA-N 2 0 341.499 2.523 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001326378697 1329751606 /nfs/dbraw/zinc/75/16/06/1329751606.db2.gz AAYUXTRDKLWMAJ-SJORKVTESA-N 2 0 341.927 2.832 10 30 EFEERP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001326482518 1329759981 /nfs/dbraw/zinc/75/99/81/1329759981.db2.gz XJYSZCZMVWQUDU-SJORKVTESA-N 2 0 329.488 2.871 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001326528866 1330311947 /nfs/dbraw/zinc/31/19/47/1330311947.db2.gz BGYJZPLQDOMYNU-WGSAOQKQSA-N 2 0 347.547 2.929 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001326604961 1330326339 /nfs/dbraw/zinc/32/63/39/1330326339.db2.gz ZXTUZAFUPLQOJT-GOSISDBHSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001327307397 1330456967 /nfs/dbraw/zinc/45/69/67/1330456967.db2.gz CEHRSJDNOCXAGB-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001327468707 1330483500 /nfs/dbraw/zinc/48/35/00/1330483500.db2.gz XNBPVZXCRTVBIK-IBGZPJMESA-N 2 0 345.531 2.778 10 30 EFEERP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)CCCCCC)C2 ZINC001327528869 1330495532 /nfs/dbraw/zinc/49/55/32/1330495532.db2.gz CZWYYCLWJAGPDW-FQEVSTJZSA-N 2 0 335.536 2.999 10 30 EFEERP C=CCCC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001327868658 1330524568 /nfs/dbraw/zinc/52/45/68/1330524568.db2.gz PWKUWHIMEKSJRA-GOEBONIOSA-N 2 0 335.517 2.826 10 30 EFEERP C=CCCC[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001327886750 1330526975 /nfs/dbraw/zinc/52/69/75/1330526975.db2.gz UYXYHVRJWSGZDX-XLIONFOSSA-N 2 0 343.515 2.807 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCn2ccnc2C)C(C)(C)C1 ZINC001328099347 1330555744 /nfs/dbraw/zinc/55/57/44/1330555744.db2.gz UHKXLKIKRUDFAF-KRWDZBQOSA-N 2 0 332.492 2.765 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C(C)(C)C1 ZINC001328099345 1330555852 /nfs/dbraw/zinc/55/58/52/1330555852.db2.gz UFCZYNLDBKGZBR-ROUUACIJSA-N 2 0 329.488 2.692 10 30 EFEERP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C(C)(C)C1 ZINC001328102196 1330557371 /nfs/dbraw/zinc/55/73/71/1330557371.db2.gz KUUGTMGUOWNWAU-IBGZPJMESA-N 2 0 343.515 2.564 10 30 EFEERP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001328588334 1330605485 /nfs/dbraw/zinc/60/54/85/1330605485.db2.gz CTSXHDKDZOZRTQ-PMACEKPBSA-N 2 0 347.547 2.691 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001328588148 1330605494 /nfs/dbraw/zinc/60/54/94/1330605494.db2.gz RVHIGLSCIJXHIK-MRXNPFEDSA-N 2 0 332.492 2.867 10 30 EFEERP C=CCC[C@@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001328589148 1330606266 /nfs/dbraw/zinc/60/62/66/1330606266.db2.gz VHSPQGMYGAAPKX-IEBWSBKVSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@H](C)[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001328589150 1330606356 /nfs/dbraw/zinc/60/63/56/1330606356.db2.gz VHSPQGMYGAAPKX-PKOBYXMFSA-N 2 0 335.536 2.853 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001328795724 1330633302 /nfs/dbraw/zinc/63/33/02/1330633302.db2.gz DFZMBVBSUNZVNL-LJQANCHMSA-N 2 0 329.488 2.861 10 30 EFEERP C=CCCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001328811323 1330636747 /nfs/dbraw/zinc/63/67/47/1330636747.db2.gz ALJBACYVCTZXNB-PMACEKPBSA-N 2 0 347.547 2.855 10 30 EFEERP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001329231020 1330683981 /nfs/dbraw/zinc/68/39/81/1330683981.db2.gz PHGBQTPDLCOIPX-ACBHZAAOSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001331031566 1330786025 /nfs/dbraw/zinc/78/60/25/1330786025.db2.gz XDWXPWINOCSUHQ-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC001332089818 1330916460 /nfs/dbraw/zinc/91/64/60/1330916460.db2.gz KSKQESZMWAJFAE-HLNWXESRSA-N 2 0 333.520 2.796 10 30 EFEERP C=CCCCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001332118282 1330923998 /nfs/dbraw/zinc/92/39/98/1330923998.db2.gz NRDVNFDMJAFJQY-CMKODMSKSA-N 2 0 333.520 2.798 10 30 EFEERP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001332151496 1330929693 /nfs/dbraw/zinc/92/96/93/1330929693.db2.gz ZCRODJOCAONNNI-GUDVDZBRSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC001332424725 1330970392 /nfs/dbraw/zinc/97/03/92/1330970392.db2.gz UYPALISRTKFPPB-KXBFYZLASA-N 2 0 339.499 2.602 10 30 EFEERP 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XXKFBODQLXIRQB-INIZCTEOSA-N 2 0 339.911 2.586 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001376608484 1343717994 /nfs/dbraw/zinc/71/79/94/1343717994.db2.gz XXKFBODQLXIRQB-MRXNPFEDSA-N 2 0 339.911 2.586 10 30 EFEERP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001377030907 1344076883 /nfs/dbraw/zinc/07/68/83/1344076883.db2.gz JEXWSWXYOBYMBJ-SJORKVTESA-N 2 0 341.927 2.784 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001377814993 1344467588 /nfs/dbraw/zinc/46/75/88/1344467588.db2.gz GIYQLKQSEQCRCJ-LSDHHAIUSA-N 2 0 329.916 2.876 10 30 EFEERP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001377846036 1344502121 /nfs/dbraw/zinc/50/21/21/1344502121.db2.gz ADYDWNDIEJPEPK-CVEARBPZSA-N 2 0 344.503 2.519 10 30 EFEERP C=C(Cl)C[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001378368390 1345017058 /nfs/dbraw/zinc/01/70/58/1345017058.db2.gz FSVQVPBVBJSJRQ-GJZGRUSLSA-N 2 0 327.900 2.630 10 30 EFEERP 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339.911 2.584 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001402769254 1364018634 /nfs/dbraw/zinc/01/86/34/1364018634.db2.gz LNWMZDWZWJCWJR-HOTGVXAUSA-N 2 0 341.927 2.830 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001405684543 1366336436 /nfs/dbraw/zinc/33/64/36/1366336436.db2.gz KNOGRJRHOBXVKC-ZDUSSCGKSA-N 2 0 329.916 2.734 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001405931742 1366534492 /nfs/dbraw/zinc/53/44/92/1366534492.db2.gz QHEAMDDNOZIIBE-HRCADAONSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001405945055 1366983578 /nfs/dbraw/zinc/98/35/78/1366983578.db2.gz FMQJMFHVVMAYOW-WMLDXEAASA-N 2 0 341.927 2.735 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001406087315 1367206000 /nfs/dbraw/zinc/20/60/00/1367206000.db2.gz WAICTXDUUIWMMB-JKSUJKDBSA-N 2 0 329.916 2.590 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001408099066 1369605280 /nfs/dbraw/zinc/60/52/80/1369605280.db2.gz SYUNJJUEHGGSSF-CVEARBPZSA-N 2 0 339.911 2.727 10 30 EFEERP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001420748635 1377594437 /nfs/dbraw/zinc/59/44/37/1377594437.db2.gz VMOWLNMUTJMZEF-HOCLYGCPSA-N 2 0 347.906 2.636 10 30 EFEERP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001420928636 1377893140 /nfs/dbraw/zinc/89/31/40/1377893140.db2.gz HPZAIKXHYOIEFA-DLBZAZTESA-N 2 0 341.927 2.784 10 30 EFEERP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001421610571 1378879502 /nfs/dbraw/zinc/87/95/02/1378879502.db2.gz IHYRIAVKRAWUDM-UHFFFAOYSA-N 2 0 330.476 2.524 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001506819566 1406297128 /nfs/dbraw/zinc/29/71/28/1406297128.db2.gz IIOZQFJYXVWHQW-MKXGPGLRSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001506829610 1406308734 /nfs/dbraw/zinc/30/87/34/1406308734.db2.gz MLSQWNCKZFQBIX-YSTOQKLRSA-N 2 0 347.547 2.757 10 30 EFEERP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001506864409 1406369746 /nfs/dbraw/zinc/36/97/46/1406369746.db2.gz DUVFQIISWHYGAF-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001506866385 1406374520 /nfs/dbraw/zinc/37/45/20/1406374520.db2.gz PCAIDLJMVKCMJK-ROUUACIJSA-N 2 0 333.520 2.607 10 30 EFEERP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001440613054 1389774319 /nfs/dbraw/zinc/77/43/19/1389774319.db2.gz JRYFWTDPISCDCT-UHFFFAOYSA-N 2 0 341.927 2.976 10 30 EFEERP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001441617169 1391387106 /nfs/dbraw/zinc/38/71/06/1391387106.db2.gz IXTBBWDQWHMTEG-SJORKVTESA-N 2 0 341.927 2.688 10 30 EFEERP C#CC[NH2+]CCC[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001506979291 1406540325 /nfs/dbraw/zinc/54/03/25/1406540325.db2.gz MQSAMZILRPTQEU-HXUWFJFHSA-N 2 0 341.499 2.579 10 30 EFEERP C=CCC[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460888036 1396266841 /nfs/dbraw/zinc/26/68/41/1396266841.db2.gz YFWAHXXOIHUYOH-RTBURBONSA-N 2 0 329.488 2.836 10 30 EFEERP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001471062914 1397138605 /nfs/dbraw/zinc/13/86/05/1397138605.db2.gz GVHDFZNBUXNPFC-LJQANCHMSA-N 2 0 329.488 2.665 10 30 EFEERP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479525017 1397750763 /nfs/dbraw/zinc/75/07/63/1397750763.db2.gz DAFUYASETOLYHD-FXAWDEMLSA-N 2 0 347.547 2.901 10 30 EFEERP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479525019 1397750850 /nfs/dbraw/zinc/75/08/50/1397750850.db2.gz DAFUYASETOLYHD-XLIONFOSSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001479745000 1397802136 /nfs/dbraw/zinc/80/21/36/1397802136.db2.gz JHNDMJWFGJERSF-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001480078588 1398112319 /nfs/dbraw/zinc/11/23/19/1398112319.db2.gz VHNKNXODOSCENJ-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480082371 1398118663 /nfs/dbraw/zinc/11/86/63/1398118663.db2.gz UZUKTRQATHTHDW-LJQANCHMSA-N 2 0 347.547 2.835 10 30 EFEERP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001480187656 1398157232 /nfs/dbraw/zinc/15/72/32/1398157232.db2.gz DDONFLULGCDAEQ-OALUTQOASA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001480367304 1398181188 /nfs/dbraw/zinc/18/11/88/1398181188.db2.gz JGFMISBOTMZFTP-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC001480367530 1398181582 /nfs/dbraw/zinc/18/15/82/1398181582.db2.gz KXFNNXDYIVENJY-JKSUJKDBSA-N 2 0 327.900 2.584 10 30 EFEERP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001507375288 1406974662 /nfs/dbraw/zinc/97/46/62/1406974662.db2.gz LXWHDRSVLVUSBT-AEFFLSMTSA-N 2 0 333.520 2.632 10 30 EFEERP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001493847087 1398919336 /nfs/dbraw/zinc/91/93/36/1398919336.db2.gz NWTQTJUQVIMVJH-PXNSSMCTSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)c1ccc(C(C)C)cc1 ZINC001493879060 1398947882 /nfs/dbraw/zinc/94/78/82/1398947882.db2.gz UDQNGRMLNIWHTR-VQTJNVASSA-N 2 0 343.515 2.920 10 30 EFEERP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001493889482 1398956034 /nfs/dbraw/zinc/95/60/34/1398956034.db2.gz SGIXDSWIQMAXNX-BHIYHBOVSA-N 2 0 329.488 2.740 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCC)[C@@H]2C)CC1 ZINC001507388835 1407000890 /nfs/dbraw/zinc/00/08/90/1407000890.db2.gz VDGHMCVPSXRXPD-QUCCMNQESA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001494161175 1399176213 /nfs/dbraw/zinc/17/62/13/1399176213.db2.gz BSNXXXIDWHNYAK-OALUTQOASA-N 2 0 335.536 2.997 10 30 EFEERP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001494205541 1399211629 /nfs/dbraw/zinc/21/16/29/1399211629.db2.gz RMCDPDYRYXVCNI-FQEVSTJZSA-N 2 0 345.531 2.587 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001494760728 1399459571 /nfs/dbraw/zinc/45/95/71/1399459571.db2.gz AIDAXBLEWSFWAC-DLBZAZTESA-N 2 0 332.492 2.606 10 30 EFEERP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001494760729 1399459628 /nfs/dbraw/zinc/45/96/28/1399459628.db2.gz AIDAXBLEWSFWAC-IAGOWNOFSA-N 2 0 332.492 2.606 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494792186 1399469837 /nfs/dbraw/zinc/46/98/37/1399469837.db2.gz RQXIKCQGNDPSEQ-QFBILLFUSA-N 2 0 329.488 2.907 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494861825 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YUYNONLEZUGZAF-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001495417442 1399962909 /nfs/dbraw/zinc/96/29/09/1399962909.db2.gz BDCMIXAKJCCGHC-RTBURBONSA-N 2 0 333.520 2.798 10 30 EFEERP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001495462669 1400001222 /nfs/dbraw/zinc/00/12/22/1400001222.db2.gz UJNDXZIBPREGOS-IYARVYRRSA-N 2 0 333.520 2.681 10 30 EFEERP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001495498639 1400032755 /nfs/dbraw/zinc/03/27/55/1400032755.db2.gz WIHFMSOSPHBNRH-MOPGFXCFSA-N 2 0 329.488 2.699 10 30 EFEERP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001495603203 1400112189 /nfs/dbraw/zinc/11/21/89/1400112189.db2.gz VMERSLVTBIDAIF-GOSISDBHSA-N 2 0 333.520 2.609 10 30 EFEERP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495742928 1400217548 /nfs/dbraw/zinc/21/75/48/1400217548.db2.gz LDJNZCXWGQMJOG-MAUKXSAKSA-N 2 0 327.488 2.507 10 30 EFEERP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001495742927 1400217718 /nfs/dbraw/zinc/21/77/18/1400217718.db2.gz LDJNZCXWGQMJOG-CRAIPNDOSA-N 2 0 327.488 2.507 10 30 EFEERP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001496080263 1400458783 /nfs/dbraw/zinc/45/87/83/1400458783.db2.gz LPUFDVLZULBTSJ-ZBFHGGJFSA-N 2 0 327.900 2.582 10 30 EFEERP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001496319570 1400634983 /nfs/dbraw/zinc/63/49/83/1400634983.db2.gz AVZNAWOIUQAMED-WDSOQIARSA-N 2 0 335.536 2.948 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001496320763 1400637006 /nfs/dbraw/zinc/63/70/06/1400637006.db2.gz QGSXLRAJQLZQMN-PMACEKPBSA-N 2 0 347.547 2.786 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CCCCC1 ZINC001496324261 1400641341 /nfs/dbraw/zinc/64/13/41/1400641341.db2.gz DMOKEEXYYAROQK-FQEVSTJZSA-N 2 0 341.499 2.650 10 30 EFEERP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001496504466 1400779676 /nfs/dbraw/zinc/77/96/76/1400779676.db2.gz HOWWRPQTFKGBAS-PMACEKPBSA-N 2 0 345.531 2.587 10 30 EFEERP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001496573189 1400837831 /nfs/dbraw/zinc/83/78/31/1400837831.db2.gz AXUVILDSQXEHEB-CVEARBPZSA-N 2 0 329.916 2.590 10 30 EFEERP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001496597332 1400859087 /nfs/dbraw/zinc/85/90/87/1400859087.db2.gz KYSWVQXLCAFDOK-RBUKOAKNSA-N 2 0 333.520 2.537 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CCC(C)C)C(C)C)CC1 ZINC001507861793 1407187702 /nfs/dbraw/zinc/18/77/02/1407187702.db2.gz HLYNOZRHNFPLBN-UHFFFAOYSA-N 2 0 335.536 2.547 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C(C)(C)C ZINC001508029262 1407248513 /nfs/dbraw/zinc/24/85/13/1407248513.db2.gz DMAUUQOXHLSONM-MOPGFXCFSA-N 2 0 343.515 2.823 10 30 EFEERP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C[C@H]1CC ZINC001498905258 1402372422 /nfs/dbraw/zinc/37/24/22/1402372422.db2.gz YWLNFAPYSBDRQX-HZPDHXFCSA-N 2 0 329.916 2.688 10 30 EFEERP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001499570766 1402690183 /nfs/dbraw/zinc/69/01/83/1402690183.db2.gz UXCYTYCTKFKWTO-FQEVSTJZSA-N 2 0 333.520 2.751 10 30 EFEERP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001499573186 1402692490 /nfs/dbraw/zinc/69/24/90/1402692490.db2.gz BADTXINQBSPDPR-HXUWFJFHSA-N 2 0 335.536 2.855 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001499576585 1402695011 /nfs/dbraw/zinc/69/50/11/1402695011.db2.gz LRFXKFYRXSAIIZ-OAQYLSRUSA-N 2 0 345.531 2.590 10 30 EFEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001499589292 1402703114 /nfs/dbraw/zinc/70/31/14/1402703114.db2.gz CHBMBIBKSGXYMS-UHFFFAOYSA-N 2 0 333.520 2.753 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001499601904 1402710772 /nfs/dbraw/zinc/71/07/72/1402710772.db2.gz FVSADFZAIYPUQO-IEBWSBKVSA-N 2 0 339.499 2.557 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001508086147 1407290166 /nfs/dbraw/zinc/29/01/66/1407290166.db2.gz OHSPFMQEFDUQQL-LSDHHAIUSA-N 2 0 349.441 2.663 10 30 EFEERP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCCC)CC1 ZINC001500057543 1402916710 /nfs/dbraw/zinc/91/67/10/1402916710.db2.gz IWSRDARPQMHADA-ROUUACIJSA-N 2 0 333.520 2.586 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001500122626 1402946285 /nfs/dbraw/zinc/94/62/85/1402946285.db2.gz HXIFQKDHZMLQFH-SJLPKXTDSA-N 2 0 333.520 2.702 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001500427754 1403116122 /nfs/dbraw/zinc/11/61/22/1403116122.db2.gz ZIMMZXSHBSCTHD-IEBWSBKVSA-N 2 0 347.547 2.901 10 30 EFEERP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001500457799 1403136293 /nfs/dbraw/zinc/13/62/93/1403136293.db2.gz ZTKJOMVLTCFUDJ-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001500459184 1403136502 /nfs/dbraw/zinc/13/65/02/1403136502.db2.gz DGPYFALIGBOMKO-FQEVSTJZSA-N 2 0 333.520 2.657 10 30 EFEERP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001500512514 1403184956 /nfs/dbraw/zinc/18/49/56/1403184956.db2.gz ZGFSSGLDBPKPPO-IBGZPJMESA-N 2 0 335.536 2.903 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001501181508 1403479475 /nfs/dbraw/zinc/47/94/75/1403479475.db2.gz PJRQFQQMOWUFCU-UAFMIMERSA-N 2 0 345.531 2.539 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001501181506 1403479850 /nfs/dbraw/zinc/47/98/50/1403479850.db2.gz PJRQFQQMOWUFCU-LWYYNNOASA-N 2 0 345.531 2.539 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001501188151 1403483010 /nfs/dbraw/zinc/48/30/10/1403483010.db2.gz CDDVFMUODQEVAP-VAMGGRTRSA-N 2 0 347.547 2.786 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001501221809 1403498892 /nfs/dbraw/zinc/49/88/92/1403498892.db2.gz LPVPGGIFZNGEND-AKHDSKFASA-N 2 0 333.520 2.606 10 30 EFEERP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001501223783 1403500178 /nfs/dbraw/zinc/50/01/78/1403500178.db2.gz QSEGPEHYRIYVHZ-GBESFXJTSA-N 2 0 345.531 2.607 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001501223784 1403500764 /nfs/dbraw/zinc/50/07/64/1403500764.db2.gz QSEGPEHYRIYVHZ-QRVBRYPASA-N 2 0 345.531 2.607 10 30 EFEERP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001501697359 1403729362 /nfs/dbraw/zinc/72/93/62/1403729362.db2.gz YUCZOEZKANHCMV-LFGUQSLTSA-N 2 0 347.547 2.948 10 30 EFEERP C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001501697361 1403729757 /nfs/dbraw/zinc/72/97/57/1403729757.db2.gz YUCZOEZKANHCMV-ZULIPRJHSA-N 2 0 347.547 2.948 10 30 EFEERP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001501701284 1403732909 /nfs/dbraw/zinc/73/29/09/1403732909.db2.gz UYZBKXIFUINNNC-IYARVYRRSA-N 2 0 333.520 2.846 10 30 EFEERP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)C23CC[NH+](CC2)C3)c(F)c1 ZINC001508241652 1407372676 /nfs/dbraw/zinc/37/26/76/1407372676.db2.gz KKQBDTPGNMETPC-UHFFFAOYSA-N 2 0 345.462 2.594 10 30 EFEERP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001502367229 1404107253 /nfs/dbraw/zinc/10/72/53/1404107253.db2.gz BAKKEWMWYQUZOM-AEFFLSMTSA-N 2 0 346.519 2.889 10 30 EFEERP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001502404332 1404144563 /nfs/dbraw/zinc/14/45/63/1404144563.db2.gz FQXSRYHZLLIFJT-RTBURBONSA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406014 1404147615 /nfs/dbraw/zinc/14/76/15/1404147615.db2.gz GURYGIJIFUHFQG-OALUTQOASA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406016 1404148490 /nfs/dbraw/zinc/14/84/90/1404148490.db2.gz GURYGIJIFUHFQG-RTBURBONSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001502545672 1404235403 /nfs/dbraw/zinc/23/54/03/1404235403.db2.gz FKBFJCWRGOYSNW-QUCCMNQESA-N 2 0 333.520 2.609 10 30 EFEERP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001505396363 1404549507 /nfs/dbraw/zinc/54/95/07/1404549507.db2.gz GWAUIJGZZUTXBE-LJQANCHMSA-N 2 0 335.536 2.997 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001505437710 1404608886 /nfs/dbraw/zinc/60/88/86/1404608886.db2.gz XLDFLUQCVYQCBE-RBUKOAKNSA-N 2 0 335.536 2.996 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001725628877 1425726789 /nfs/dbraw/zinc/72/67/89/1425726789.db2.gz LUGMAJZMRTTWOI-GBESFXJTSA-N 2 0 333.520 2.655 10 30 EFEERP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001725777618 1425841622 /nfs/dbraw/zinc/84/16/22/1425841622.db2.gz PLJJYHSEXFVZQZ-ACBHZAAOSA-N 2 0 333.520 2.654 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N(C)C2CCC([NH2+]CCC(=C)C)CC2)CC1 ZINC001505791963 1405074846 /nfs/dbraw/zinc/07/48/46/1405074846.db2.gz SUWZTUWJBBYMNI-UHFFFAOYSA-N 2 0 345.531 2.657 10 30 EFEERP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001565882546 1415443325 /nfs/dbraw/zinc/44/33/25/1415443325.db2.gz BWQFGUHVIPEHDH-VQTJNVASSA-N 2 0 341.499 2.631 10 30 EFEERP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001565973178 1415467257 /nfs/dbraw/zinc/46/72/57/1415467257.db2.gz UMHZFTLWPJXPJL-GJYPPUQNSA-N 2 0 339.499 2.602 10 30 EFEERP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001565986740 1415470675 /nfs/dbraw/zinc/47/06/75/1415470675.db2.gz MGLRCCARYZMDQN-RTBURBONSA-N 2 0 349.563 2.985 10 30 EFEERP C#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)CCCCCC ZINC001565995009 1415475205 /nfs/dbraw/zinc/47/52/05/1415475205.db2.gz NCWHZJPRKJLUBD-YZGWKJHDSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]2C1 ZINC001566054480 1415494763 /nfs/dbraw/zinc/49/47/63/1415494763.db2.gz CAVUCETYRRGUBB-CEXWTWQISA-N 2 0 333.520 2.607 10 30 EFEERP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001566072207 1415504152 /nfs/dbraw/zinc/50/41/52/1415504152.db2.gz WZJJVFXTENLPOR-SFHVURJKSA-N 2 0 333.520 2.942 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+]CCC(C)C)C2)CC1 ZINC001566077692 1415507217 /nfs/dbraw/zinc/50/72/17/1415507217.db2.gz LOIBOJLPWYDESG-HXUWFJFHSA-N 2 0 347.547 2.739 10 30 EFEERP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001566123124 1415521848 /nfs/dbraw/zinc/52/18/48/1415521848.db2.gz DSJOEDQRGVXVNN-IBGZPJMESA-N 2 0 335.536 2.996 10 30 EFEERP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001566123632 1415522119 /nfs/dbraw/zinc/52/21/19/1415522119.db2.gz SUOKMNUHZOIESI-FQEVSTJZSA-N 2 0 341.499 2.698 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001566625904 1415702500 /nfs/dbraw/zinc/70/25/00/1415702500.db2.gz TXQSFLODMQGGEO-MJGOQNOKSA-N 2 0 333.520 2.940 10 30 EFEERP CCCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001566694233 1415735232 /nfs/dbraw/zinc/73/52/32/1415735232.db2.gz CEOHUDKAQSCHMT-ZWKOTPCHSA-N 2 0 335.536 2.879 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001566695213 1415736372 /nfs/dbraw/zinc/73/63/72/1415736372.db2.gz WPIJJRZDZWDLEU-SFHVURJKSA-N 2 0 333.520 2.799 10 30 EFEERP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001566697704 1415737657 /nfs/dbraw/zinc/73/76/57/1415737657.db2.gz KJIGNROENZKFKL-PKOBYXMFSA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001566859458 1415801630 /nfs/dbraw/zinc/80/16/30/1415801630.db2.gz CVTAKLYJNTWFIB-CEXWTWQISA-N 2 0 329.488 2.882 10 30 EFEERP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001566878474 1415819486 /nfs/dbraw/zinc/81/94/86/1415819486.db2.gz QVPHKXQLYKVDFC-LPHOPBHVSA-N 2 0 339.499 2.603 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001566893173 1415827762 /nfs/dbraw/zinc/82/77/62/1415827762.db2.gz AUIIEPUOWXNYSA-HNNXBMFYSA-N 2 0 335.517 2.828 10 30 EFEERP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566913518 1415840489 /nfs/dbraw/zinc/84/04/89/1415840489.db2.gz RHDDPDPWXQMJAU-RBUKOAKNSA-N 2 0 335.536 2.901 10 30 EFEERP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001566923119 1415847960 /nfs/dbraw/zinc/84/79/60/1415847960.db2.gz LSTFLYMHCNGBBH-SFHVURJKSA-N 2 0 333.520 2.633 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC/C=C/CCC)C2)CC1 ZINC001567154760 1415956090 /nfs/dbraw/zinc/95/60/90/1415956090.db2.gz INNZEFDQOKSVCI-OVKVCFKUSA-N 2 0 345.531 2.516 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001567155867 1415956240 /nfs/dbraw/zinc/95/62/40/1415956240.db2.gz ZDOPJCHQOYNXNH-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001567183699 1415976826 /nfs/dbraw/zinc/97/68/26/1415976826.db2.gz MCSSRRLYMJWOQI-UHFFFAOYSA-N 2 0 349.906 2.529 10 30 EFEERP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567193616 1415986291 /nfs/dbraw/zinc/98/62/91/1415986291.db2.gz XTCXAUNWXJJJQM-SFHVURJKSA-N 2 0 333.520 2.751 10 30 EFEERP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001567386213 1416107130 /nfs/dbraw/zinc/10/71/30/1416107130.db2.gz CNZRBLGTMJXOFP-LJQANCHMSA-N 2 0 329.488 2.909 10 30 EFEERP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001567664440 1416237005 /nfs/dbraw/zinc/23/70/05/1416237005.db2.gz XRRSCETZBFKTGX-YTQUADARSA-N 2 0 329.488 2.740 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001567703517 1416255539 /nfs/dbraw/zinc/25/55/39/1416255539.db2.gz VKZZHTZWGMRURX-OALUTQOASA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752252 1416273526 /nfs/dbraw/zinc/27/35/26/1416273526.db2.gz LCXNQWGWMLKOQL-HKUYNNGSSA-N 2 0 335.536 2.853 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001567793748 1416284828 /nfs/dbraw/zinc/28/48/28/1416284828.db2.gz KFSKRTJPWUJRMC-SJORKVTESA-N 2 0 333.520 2.796 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001567866268 1416304259 /nfs/dbraw/zinc/30/42/59/1416304259.db2.gz JXQMNUWAGFAVKP-QYZOEREBSA-N 2 0 333.520 2.892 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001568056571 1416382522 /nfs/dbraw/zinc/38/25/22/1416382522.db2.gz GHUMULWSCGJZBO-IEBWSBKVSA-N 2 0 333.520 2.513 10 30 EFEERP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001568067765 1416391276 /nfs/dbraw/zinc/39/12/76/1416391276.db2.gz ILBFEOJJIRYZHB-VQIMIIECSA-N 2 0 339.499 2.603 10 30 EFEERP C#CCC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001568098015 1416409354 /nfs/dbraw/zinc/40/93/54/1416409354.db2.gz OUMHMJDQSBYSAP-FQEVSTJZSA-N 2 0 347.547 2.739 10 30 EFEERP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001568107732 1416412857 /nfs/dbraw/zinc/41/28/57/1416412857.db2.gz NBFQQJPOOVFZGZ-KZNAEPCWSA-N 2 0 333.520 2.987 10 30 EFEERP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001568131351 1416421320 /nfs/dbraw/zinc/42/13/20/1416421320.db2.gz BTBKMYGFLLFFGC-MOPGFXCFSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001568146151 1416425249 /nfs/dbraw/zinc/42/52/49/1416425249.db2.gz HPPSVCJWAUQRHC-LJQANCHMSA-N 2 0 329.488 2.561 10 30 EFEERP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568300233 1416469945 /nfs/dbraw/zinc/46/99/45/1416469945.db2.gz NCXNWWZSLLLCCC-MAUKXSAKSA-N 2 0 327.488 2.602 10 30 EFEERP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001568336218 1416481022 /nfs/dbraw/zinc/48/10/22/1416481022.db2.gz OTVDRLTXISTCJQ-QFBILLFUSA-N 2 0 341.515 2.896 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)CC(C)C)CC1 ZINC001568339641 1416482263 /nfs/dbraw/zinc/48/22/63/1416482263.db2.gz YKKWORBXHHLDAN-LJQANCHMSA-N 2 0 349.563 2.888 10 30 EFEERP C#CC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCCC1 ZINC001568344443 1416484525 /nfs/dbraw/zinc/48/45/25/1416484525.db2.gz ZJKBHYJYZMULCR-IBGZPJMESA-N 2 0 338.455 2.544 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C1CCCCC1 ZINC001568344962 1416485082 /nfs/dbraw/zinc/48/50/82/1416485082.db2.gz AGKATKOXKIHRCJ-WOJBJXKFSA-N 2 0 347.547 2.786 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCCC2)CC1 ZINC001568349556 1416486634 /nfs/dbraw/zinc/48/66/34/1416486634.db2.gz YRHQZZRJAFFUIQ-HXUWFJFHSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001568406749 1416518138 /nfs/dbraw/zinc/51/81/38/1416518138.db2.gz LKUVEBFMXAHKID-MSOLQXFVSA-N 2 0 333.520 2.655 10 30 EFEERP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001689909185 1417093140 /nfs/dbraw/zinc/09/31/40/1417093140.db2.gz LXPHJRYQCOUJNT-FXAWDEMLSA-N 2 0 341.499 2.744 10 30 EFEERP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001689909187 1417093311 /nfs/dbraw/zinc/09/33/11/1417093311.db2.gz LXPHJRYQCOUJNT-XLIONFOSSA-N 2 0 341.499 2.744 10 30 EFEERP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CC2=CCCCC2)CC1 ZINC001689970505 1417112663 /nfs/dbraw/zinc/11/26/63/1417112663.db2.gz RHZYHXIQWBOGHO-UHFFFAOYSA-N 2 0 345.531 2.660 10 30 EFEERP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001690126535 1417159824 /nfs/dbraw/zinc/15/98/24/1417159824.db2.gz QOMPUWOKWCTALF-OKZBNKHCSA-N 2 0 333.520 2.654 10 30 EFEERP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001698804312 1417338122 /nfs/dbraw/zinc/33/81/22/1417338122.db2.gz NOPUMSRGPHHWIA-RCCFBDPRSA-N 2 0 333.520 2.606 10 30 EFEERP CC#CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CCCCC1 ZINC001698883975 1417343733 /nfs/dbraw/zinc/34/37/33/1417343733.db2.gz IAOFVLPKZRWQHV-LJQANCHMSA-N 2 0 333.520 2.540 10 30 EFEERP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698940548 1417351257 /nfs/dbraw/zinc/35/12/57/1417351257.db2.gz UGNCOFSXZLOHLR-APWZRJJASA-N 2 0 329.488 2.765 10 30 EFEERP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001699008395 1417366550 /nfs/dbraw/zinc/36/65/50/1417366550.db2.gz IUBOGVXFAOFGHV-QZTJIDSGSA-N 2 0 331.504 2.504 10 30 EFEERP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699021426 1417373398 /nfs/dbraw/zinc/37/33/98/1417373398.db2.gz JSOWMGQNQKRYPL-AEFFLSMTSA-N 2 0 333.520 2.537 10 30 EFEERP C=CCCC[NH+]1CCC2(CCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001699700316 1417458034 /nfs/dbraw/zinc/45/80/34/1417458034.db2.gz PDPFMKAWVZYUMS-UHFFFAOYSA-N 2 0 335.536 2.999 10 30 EFEERP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699786843 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LGKIKWUIGJXSEG-QGZVFWFLSA-N 2 0 344.503 2.753 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001716730709 1418980675 /nfs/dbraw/zinc/98/06/75/1418980675.db2.gz FUJLILQJNLVYFI-PZJWPPBQSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001716731882 1418982088 /nfs/dbraw/zinc/98/20/88/1418982088.db2.gz QCZBWMNFMBZREE-PKOBYXMFSA-N 2 0 339.499 2.557 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001716734593 1418983629 /nfs/dbraw/zinc/98/36/29/1418983629.db2.gz CGTNRIUQYQSQFP-TZIWHRDSSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001716734592 1418983707 /nfs/dbraw/zinc/98/37/07/1418983707.db2.gz CGTNRIUQYQSQFP-PZJWPPBQSA-N 2 0 347.547 2.999 10 30 EFEERP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001716735413 1418984273 /nfs/dbraw/zinc/98/42/73/1418984273.db2.gz POJWRVGJLMVKJO-FQEVSTJZSA-N 2 0 335.536 2.855 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(CC)CC)C[C@H]2C)CC1 ZINC001716768805 1418999485 /nfs/dbraw/zinc/99/94/85/1418999485.db2.gz GFRSHBKBJRNLPE-YLJYHZDGSA-N 2 0 347.547 2.737 10 30 EFEERP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001716787641 1419008319 /nfs/dbraw/zinc/00/83/19/1419008319.db2.gz GBNKUIRTJHPIJP-OALUTQOASA-N 2 0 329.488 2.836 10 30 EFEERP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001716817087 1419028642 /nfs/dbraw/zinc/02/86/42/1419028642.db2.gz GFBQFVIDHZEVFE-OALUTQOASA-N 2 0 333.520 2.559 10 30 EFEERP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001716869697 1419065870 /nfs/dbraw/zinc/06/58/70/1419065870.db2.gz WBOUXVIETVXRPS-AZUAARDMSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001716911906 1419093517 /nfs/dbraw/zinc/09/35/17/1419093517.db2.gz DEFDPTJFGOMCBX-MRXNPFEDSA-N 2 0 343.462 2.512 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001716993091 1419129960 /nfs/dbraw/zinc/12/99/60/1419129960.db2.gz FMWPCMLHHZYSSO-FXAWDEMLSA-N 2 0 347.547 2.759 10 30 EFEERP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717004507 1419140060 /nfs/dbraw/zinc/14/00/60/1419140060.db2.gz OGGULFQICFYJJD-MUGJNUQGSA-N 2 0 347.547 2.642 10 30 EFEERP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001717009956 1419145940 /nfs/dbraw/zinc/14/59/40/1419145940.db2.gz MQSMPOYGBDURAM-YRXWBPOGSA-N 2 0 333.520 2.604 10 30 EFEERP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)C[C@H]2C1 ZINC001717014638 1419150061 /nfs/dbraw/zinc/15/00/61/1419150061.db2.gz ZZGXNAKLRIEFSK-HSALFYBXSA-N 2 0 341.499 2.646 10 30 EFEERP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001717036510 1419168896 /nfs/dbraw/zinc/16/88/96/1419168896.db2.gz URKWCMLTFACUSO-WOJBJXKFSA-N 2 0 345.531 2.730 10 30 EFEERP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001717106048 1419211573 /nfs/dbraw/zinc/21/15/73/1419211573.db2.gz IADZEKDFSAKJCD-IBGZPJMESA-N 2 0 347.547 2.903 10 30 EFEERP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001717110937 1419216120 /nfs/dbraw/zinc/21/61/20/1419216120.db2.gz KIAKVMNENHQISK-IRXDYDNUSA-N 2 0 341.927 2.688 10 30 EFEERP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001717115172 1419219199 /nfs/dbraw/zinc/21/91/99/1419219199.db2.gz KBNZQPMJEJPUDQ-QGZVFWFLSA-N 2 0 343.515 2.955 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001717122376 1419224315 /nfs/dbraw/zinc/22/43/15/1419224315.db2.gz BZZVIZIAGLSMPO-GUDVDZBRSA-N 2 0 333.520 2.539 10 30 EFEERP CC#CC[NH+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001717217732 1419271086 /nfs/dbraw/zinc/27/10/86/1419271086.db2.gz UQXXBYLPKNMEQB-VQTJNVASSA-N 2 0 347.547 2.692 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC(C)(C)C)CC1 ZINC001717238517 1419281286 /nfs/dbraw/zinc/28/12/86/1419281286.db2.gz YSQJJFWUENTRQX-SFHVURJKSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCCC[NH+]1Cc2ccc(CNC(=O)C[N@H+]3CC[C@H](C)C3)cc2C1 ZINC001717271113 1419300159 /nfs/dbraw/zinc/30/01/59/1419300159.db2.gz XRHKBELNJOESRW-KRWDZBQOSA-N 2 0 341.499 2.926 10 30 EFEERP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001717285153 1419307596 /nfs/dbraw/zinc/30/75/96/1419307596.db2.gz ZUKLCZMELRXKQU-ZWKOTPCHSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717297690 1419313229 /nfs/dbraw/zinc/31/32/29/1419313229.db2.gz FKUSAOGRBBJROO-MSOLQXFVSA-N 2 0 333.520 2.940 10 30 EFEERP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001717309727 1419321824 /nfs/dbraw/zinc/32/18/24/1419321824.db2.gz SAYQZMSWQJCHJO-LJQANCHMSA-N 2 0 347.547 2.881 10 30 EFEERP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310376 1419322388 /nfs/dbraw/zinc/32/23/88/1419322388.db2.gz GMMSHPGOIPPLTL-IRXDYDNUSA-N 2 0 335.536 2.900 10 30 EFEERP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001717348599 1419347748 /nfs/dbraw/zinc/34/77/48/1419347748.db2.gz NIWHUQHQSMOTGO-IBGZPJMESA-N 2 0 347.547 2.835 10 30 EFEERP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001717371742 1419364268 /nfs/dbraw/zinc/36/42/68/1419364268.db2.gz VQINVLNLZCQLNE-MOPGFXCFSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001717373427 1419365405 /nfs/dbraw/zinc/36/54/05/1419365405.db2.gz MIRGDRBXDDMBPR-LJQANCHMSA-N 2 0 335.536 2.996 10 30 EFEERP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717375594 1419367612 /nfs/dbraw/zinc/36/76/12/1419367612.db2.gz YXWUYZMGAYMYPQ-FQEVSTJZSA-N 2 0 347.547 2.997 10 30 EFEERP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001717376916 1419368626 /nfs/dbraw/zinc/36/86/26/1419368626.db2.gz ARHRDCYHPJZKAE-HXUWFJFHSA-N 2 0 347.547 2.999 10 30 EFEERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001717435749 1419393792 /nfs/dbraw/zinc/39/37/92/1419393792.db2.gz VCBSHYQNFWDOGW-HZPDHXFCSA-N 2 0 349.906 2.516 10 30 EFEERP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001717523540 1419426692 /nfs/dbraw/zinc/42/66/92/1419426692.db2.gz UVXPEQXHOIYUOG-GOSISDBHSA-N 2 0 345.531 2.683 10 30 EFEERP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC001717588113 1419459005 /nfs/dbraw/zinc/45/90/05/1419459005.db2.gz TXEIPNIDOCSZSM-LJQANCHMSA-N 2 0 347.547 2.901 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717668613 1419496418 /nfs/dbraw/zinc/49/64/18/1419496418.db2.gz CVUJDWJWZTXZIB-HNNXBMFYSA-N 2 0 329.916 2.878 10 30 EFEERP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717690909 1419508186 /nfs/dbraw/zinc/50/81/86/1419508186.db2.gz RMGFOSBJSIUVSL-HNNXBMFYSA-N 2 0 329.916 2.734 10 30 EFEERP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001717701953 1419515499 /nfs/dbraw/zinc/51/54/99/1419515499.db2.gz OZFDRPYZTGORJV-QUCCMNQESA-N 2 0 347.547 2.689 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCCC(C)C)CC2)CC1 ZINC001717706175 1419519048 /nfs/dbraw/zinc/51/90/48/1419519048.db2.gz VCGAXQFXAHUYFD-UHFFFAOYSA-N 2 0 347.547 2.691 10 30 EFEERP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717734393 1419530241 /nfs/dbraw/zinc/53/02/41/1419530241.db2.gz CRKUSINXNVOOPM-VQTJNVASSA-N 2 0 345.531 2.633 10 30 EFEERP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001717848881 1419577158 /nfs/dbraw/zinc/57/71/58/1419577158.db2.gz KNCNIAYYBKWTNH-GUDVDZBRSA-N 2 0 333.520 2.511 10 30 EFEERP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001717861093 1419589239 /nfs/dbraw/zinc/58/92/39/1419589239.db2.gz SZHPDEQHNTZLRP-ROUUACIJSA-N 2 0 333.520 2.798 10 30 EFEERP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717874654 1419596939 /nfs/dbraw/zinc/59/69/39/1419596939.db2.gz FYLQVWPBZHGLFG-ZWKOTPCHSA-N 2 0 333.520 2.703 10 30 EFEERP CC#CC[N@H+](C)CCN(C(=O)CC[NH+](C)C1CCCCC1)C(C)C ZINC001717949049 1419624142 /nfs/dbraw/zinc/62/41/42/1419624142.db2.gz KEHIABXOYYVDJQ-UHFFFAOYSA-N 2 0 335.536 2.833 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001717958790 1419629290 /nfs/dbraw/zinc/62/92/90/1419629290.db2.gz ILYCAUBPRSJUHX-HKUYNNGSSA-N 2 0 347.547 2.785 10 30 EFEERP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001718000681 1419650484 /nfs/dbraw/zinc/65/04/84/1419650484.db2.gz QHHMNDRCLPZNJK-UHFFFAOYSA-N 2 0 327.900 2.584 10 30 EFEERP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001718022753 1419661973 /nfs/dbraw/zinc/66/19/73/1419661973.db2.gz HGXRELGOLIEMBF-QGZVFWFLSA-N 2 0 331.504 2.718 10 30 EFEERP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001722945686 1424379408 /nfs/dbraw/zinc/37/94/08/1424379408.db2.gz QQSPRXCORGABBP-IEBWSBKVSA-N 2 0 333.520 2.539 10 30 EFEERP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001723515081 1424516219 /nfs/dbraw/zinc/51/62/19/1424516219.db2.gz PEXKBRZKYFDAAR-KRWDZBQOSA-N 2 0 333.520 2.846 10 30 EFEERP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@@H+](C)CC)C1 ZINC001723610111 1424535982 /nfs/dbraw/zinc/53/59/82/1424535982.db2.gz YZDNDEWWEIGKGH-RBUKOAKNSA-N 2 0 335.536 2.997 10 30 EFEERP C=CC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001723640879 1424544519 /nfs/dbraw/zinc/54/45/19/1424544519.db2.gz UKYQQUCDYMGCNZ-FQEVSTJZSA-N 2 0 333.520 2.799 10 30 EFEERP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001723649767 1424547954 /nfs/dbraw/zinc/54/79/54/1424547954.db2.gz WRUJHNJLCAHMBY-UHFFFAOYSA-N 2 0 333.520 2.607 10 30 EFEERP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001723678232 1424553168 /nfs/dbraw/zinc/55/31/68/1424553168.db2.gz DJMQTHBZPMDDBG-HXUWFJFHSA-N 2 0 347.547 2.999 10 30 EFEERP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)Cc3ccccc3)C2)C1 ZINC001723691050 1424557299 /nfs/dbraw/zinc/55/72/99/1424557299.db2.gz MEYVOKYIASHSTM-NRFANRHFSA-N 2 0 341.499 2.619 10 30 EFEERP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001723700104 1424561891 /nfs/dbraw/zinc/56/18/91/1424561891.db2.gz VKLUJBJFSDTHHL-SFHVURJKSA-N 2 0 335.536 2.997 10 30 EFEERP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001723719692 1424568731 /nfs/dbraw/zinc/56/87/31/1424568731.db2.gz SUBZXISPICFBFF-AZUAARDMSA-N 2 0 333.520 2.750 10 30 EFEERP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001723951003 1424612617 /nfs/dbraw/zinc/61/26/17/1424612617.db2.gz KTBWIHRBUPCBEB-IBGZPJMESA-N 2 0 329.488 2.909 10 30 EFEERP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001724047001 1424634958 /nfs/dbraw/zinc/63/49/58/1424634958.db2.gz IWRZGQIBMDEUIK-QUCCMNQESA-N 2 0 345.531 2.586 10 30 EFEERP C#CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1CC[NH+](CC=C(C)C)CC1 ZINC001724058908 1424640415 /nfs/dbraw/zinc/64/04/15/1424640415.db2.gz YYNCONVRQWZRLJ-HXUWFJFHSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC[NH+](CC=C(C)C)CC1 ZINC001724058907 1424640818 /nfs/dbraw/zinc/64/08/18/1424640818.db2.gz YYNCONVRQWZRLJ-FQEVSTJZSA-N 2 0 347.547 2.999 10 30 EFEERP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCC2CCCC2)CC1 ZINC001724061706 1424643363 /nfs/dbraw/zinc/64/33/63/1424643363.db2.gz XWADLUMAHOBPOQ-UHFFFAOYSA-N 2 0 347.547 2.835 10 30 EFEERP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccc2ccccc2c1 ZINC001724070376 1424644118 /nfs/dbraw/zinc/64/41/18/1424644118.db2.gz FXIRYVQYGOXRLX-SFTDATJTSA-N 2 0 349.478 2.704 10 30 EFEERP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724301988 1424725644 /nfs/dbraw/zinc/72/56/44/1424725644.db2.gz VDAUKVDNABDFEY-MSOLQXFVSA-N 2 0 333.520 2.798 10 30 EFEERP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001724325622 1424736314 /nfs/dbraw/zinc/73/63/14/1424736314.db2.gz ZTXMSBNUPAAQKD-FPOVZHCZSA-N 2 0 345.531 2.635 10 30 EFEERP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001724610683 1424830449 /nfs/dbraw/zinc/83/04/49/1424830449.db2.gz KGNZGOLKPSACNA-UFYCRDLUSA-N 2 0 347.547 2.642 10 30 EFEERP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001724615337 1424836487 /nfs/dbraw/zinc/83/64/87/1424836487.db2.gz FSQBKJZAVYAXFU-SFHVURJKSA-N 2 0 349.906 2.699 10 30 EFEERP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001724660343 1424901902 /nfs/dbraw/zinc/90/19/02/1424901902.db2.gz WPVVWSXEUFAYJG-IPMKNSEASA-N 2 0 333.520 2.607 10 30 EFEERP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001724737513 1424962909 /nfs/dbraw/zinc/96/29/09/1424962909.db2.gz BHYGKXMCMIUGGM-UHFFFAOYSA-N 2 0 329.488 2.653 10 30 EFEERP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724754381 1424985049 /nfs/dbraw/zinc/98/50/49/1424985049.db2.gz JRWIEYUCNPCDBD-VJANTYMQSA-N 2 0 335.536 2.948 10 30 EFEERP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001724759118 1424989436 /nfs/dbraw/zinc/98/94/36/1424989436.db2.gz INYSXLMRPLPYND-LJQANCHMSA-N 2 0 347.547 2.997 10 30 EFEERP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001724782915 1425009562 /nfs/dbraw/zinc/00/95/62/1425009562.db2.gz FQCMLJHRKNXUDE-SFHVURJKSA-N 2 0 333.520 2.988 10 30 EFEERP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001724837821 1425052153 /nfs/dbraw/zinc/05/21/53/1425052153.db2.gz RQBRFNSBRTTYQI-SFHVURJKSA-N 2 0 333.520 2.635 10 30 EFEERP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001724854727 1425072457 /nfs/dbraw/zinc/07/24/57/1425072457.db2.gz CYACLKCHFBESLJ-LJQANCHMSA-N 2 0 341.515 2.945 10 30 EFEERP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001724901306 1425122209 /nfs/dbraw/zinc/12/22/09/1425122209.db2.gz YMVIWMSKYTXKRA-NRFANRHFSA-N 2 0 347.547 2.999 10 30 EFEERP C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001724924076 1425137479 /nfs/dbraw/zinc/13/74/79/1425137479.db2.gz SXIGKRPFNIMBSH-UHFFFAOYSA-N 2 0 339.483 2.680 10 30 EFEERP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001724970080 1425178643 /nfs/dbraw/zinc/17/86/43/1425178643.db2.gz LAOJRSKQIRJUHT-MSOLQXFVSA-N 2 0 335.536 2.901 10 30 EFEERP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C[C@@H]1C ZINC001724997968 1425209199 /nfs/dbraw/zinc/20/91/99/1425209199.db2.gz BLDACGAKVDQZBL-RDJZCZTQSA-N 2 0 332.492 2.976 10 30 EFEERP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001725027033 1425237793 /nfs/dbraw/zinc/23/77/93/1425237793.db2.gz OCSFHQBBJMPWEP-IBGZPJMESA-N 2 0 335.536 2.855 10 30 EFEERP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001725144886 1425331777 /nfs/dbraw/zinc/33/17/77/1425331777.db2.gz ZFDRTRYVDGGDBL-UHFFFAOYSA-N 2 0 341.459 2.531 10 30 EFEERP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001725215951 1425384799 /nfs/dbraw/zinc/38/47/99/1425384799.db2.gz YWFNHCYUXODELP-RBUKOAKNSA-N 2 0 335.536 2.593 10 30 EFEERP CC#CC[NH2+][C@H](CCN(C)C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001725215658 1425384967 /nfs/dbraw/zinc/38/49/67/1425384967.db2.gz ZHEVGRQYHBADMU-LJQANCHMSA-N 2 0 340.471 2.742 10 30 EFEERP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001725270985 1425427648 /nfs/dbraw/zinc/42/76/48/1425427648.db2.gz XPHUUYAIAZTUGZ-PKOBYXMFSA-N 2 0 335.536 2.900 10 30 EFEERP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001725290018 1425444149 /nfs/dbraw/zinc/44/41/49/1425444149.db2.gz NVJHZARBYNAXHP-SJORKVTESA-N 2 0 333.520 2.796 10 30 EFEERP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001725337289 1425481971 /nfs/dbraw/zinc/48/19/71/1425481971.db2.gz OWJZBTNKRBLEIB-RCCFBDPRSA-N 2 0 335.536 2.757 10 30 EFEERP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725427153 1425574153 /nfs/dbraw/zinc/57/41/53/1425574153.db2.gz IXNIUAWDYSHCAS-FQEVSTJZSA-N 2 0 341.499 2.503 10 30 EFEERP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001725427235 1425574163 /nfs/dbraw/zinc/57/41/63/1425574163.db2.gz KRZSVFXIDZEWRM-UHFFFAOYSA-N 2 0 341.499 2.503 10 30 EFEERP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]2C)CC1 ZINC001725608331 1425699059 /nfs/dbraw/zinc/69/90/59/1425699059.db2.gz RIRUWNRROYIYCP-PKOBYXMFSA-N 2 0 347.547 2.737 10 30 EFEERP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001725651545 1425754140 /nfs/dbraw/zinc/75/41/40/1425754140.db2.gz MIBMRBUYJMSHBX-IEBWSBKVSA-N 2 0 343.515 2.855 10 30 EFEERP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001725795636 1425857111 /nfs/dbraw/zinc/85/71/11/1425857111.db2.gz OSKABNKCPQUNIY-MOPGFXCFSA-N 2 0 347.547 2.927 10 30 EFEERP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001725820213 1425880283 /nfs/dbraw/zinc/88/02/83/1425880283.db2.gz TWRYTHZEPNYNTM-NZSAHSFTSA-N 2 0 333.520 2.820 10 30 EFEERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303905990 724434080 /nfs/dbraw/zinc/43/40/80/724434080.db2.gz ZSIQNOKHBPEZLJ-GASCZTMLSA-N 2 0 336.549 2.951 10 30 EFEERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000245394960 720284369 /nfs/dbraw/zinc/28/43/69/720284369.db2.gz GVUOSSMEEBLEMJ-QFBILLFUSA-N 2 0 344.503 2.502 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000913714720 725829880 /nfs/dbraw/zinc/82/98/80/725829880.db2.gz ZVIGRBZZFMLOHG-UHFFFAOYSA-N 2 0 343.515 2.913 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000908041204 727084841 /nfs/dbraw/zinc/08/48/41/727084841.db2.gz GYWTVSAIQCWKBC-IBGZPJMESA-N 2 0 343.515 2.911 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000908300687 727158037 /nfs/dbraw/zinc/15/80/37/727158037.db2.gz NZBKCQMOCOUXJM-FQEVSTJZSA-N 2 0 343.515 2.913 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000908413182 727181722 /nfs/dbraw/zinc/18/17/22/727181722.db2.gz HLWDOGRATKAHFQ-UHFFFAOYSA-N 2 0 342.443 2.870 10 30 EFEERP C=C(CC[NH+](C)C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000911574899 727564242 /nfs/dbraw/zinc/56/42/42/727564242.db2.gz RNSUUSONSIUMGT-VQTJNVASSA-N 2 0 341.499 2.762 10 30 EFEERP COCC[N@@H+]1CCC[C@@H]1CNC(NCc1ccccc1)=[NH+]C(C)(C)C ZINC000912498670 727718443 /nfs/dbraw/zinc/71/84/43/727718443.db2.gz DJCOJTLRYBPTLX-GOSISDBHSA-N 2 0 346.519 2.631 10 30 EFEERP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122708 727852463 /nfs/dbraw/zinc/85/24/63/727852463.db2.gz BTFLRSYJNJEQKR-SFHVURJKSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157300 727874393 /nfs/dbraw/zinc/87/43/93/727874393.db2.gz AOUPPOQLADTLOK-GOSISDBHSA-N 2 0 333.520 2.511 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158662 727875896 /nfs/dbraw/zinc/87/58/96/727875896.db2.gz SBQKTCWEBGHDTL-LJQANCHMSA-N 2 0 347.547 2.901 10 30 EFEERP C#CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C(C)(C)C1 ZINC000940780209 728250126 /nfs/dbraw/zinc/25/01/26/728250126.db2.gz LOLOLLMVDWNRDY-INIZCTEOSA-N 2 0 347.528 2.663 10 30 EFEERP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940831270 728272974 /nfs/dbraw/zinc/27/29/74/728272974.db2.gz IWGGSTYLFITACW-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832029 728274373 /nfs/dbraw/zinc/27/43/73/728274373.db2.gz UQJGLIZPMYFSOU-KRWDZBQOSA-N 2 0 333.520 2.655 10 30 EFEERP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940854118 728294648 /nfs/dbraw/zinc/29/46/48/728294648.db2.gz XBTXMYLLFPTULK-KRWDZBQOSA-N 2 0 326.444 2.659 10 30 EFEERP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940971720 728344571 /nfs/dbraw/zinc/34/45/71/728344571.db2.gz ARJYTGHRDJKTSW-RBUKOAKNSA-N 2 0 345.531 2.633 10 30 EFEERP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972641 728345007 /nfs/dbraw/zinc/34/50/07/728345007.db2.gz OQAUBCKVWZHLPL-QZTJIDSGSA-N 2 0 335.536 2.901 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000941027513 728373663 /nfs/dbraw/zinc/37/36/63/728373663.db2.gz HBNHVCGJGCLLPM-LJQANCHMSA-N 2 0 343.515 2.807 10 30 EFEERP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941092143 728399227 /nfs/dbraw/zinc/39/92/27/728399227.db2.gz CCEPHZJHKOORQD-GOSISDBHSA-N 2 0 329.488 2.765 10 30 EFEERP