smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160496169 332810980 /nfs/dbraw/zinc/81/09/80/332810980.db2.gz PJENHHGWQHSIMD-SFHVURJKSA-N 1 0 319.493 3.613 20 70 DHIDRO CC1CC[NH+](CCCCNC(=O)C(C)(C)C2CCCC2)CC1 ZINC000159407418 332091176 /nfs/dbraw/zinc/09/11/76/332091176.db2.gz GEMPHCUZIVOIHV-UHFFFAOYSA-N 1 0 308.510 3.831 20 70 DHIDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C2CC2)nnn1-c1cccc(Cl)c1 ZINC000160104714 332761648 /nfs/dbraw/zinc/76/16/48/332761648.db2.gz KDBGJSCDEPEVHF-WDEREUQCSA-N 1 0 304.825 3.678 20 70 DHIDRO c1ccc(N2CCC([NH2+]C[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000160980017 333735919 /nfs/dbraw/zinc/73/59/19/333735919.db2.gz ONSVWRPAPUJKAK-SFHVURJKSA-N 1 0 306.453 3.975 20 70 DHIDRO CC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CCCCC1 ZINC000161188235 334074654 /nfs/dbraw/zinc/07/46/54/334074654.db2.gz XGUVCXCJYQQYRL-KRWDZBQOSA-N 1 0 318.509 3.886 20 70 DHIDRO CCc1ccc(C(C)(C)CNC(=O)CCCCCC[NH3+])cc1 ZINC000160866796 334880253 /nfs/dbraw/zinc/88/02/53/334880253.db2.gz GBKKXGOWMDXJON-UHFFFAOYSA-N 1 0 304.478 3.552 20 70 DHIDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)Cc1cccs1 ZINC000216829681 336386739 /nfs/dbraw/zinc/38/67/39/336386739.db2.gz DPPOCVGWVLHHJF-CABCVRRESA-N 1 0 308.491 3.750 20 70 DHIDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)C2CCCC2)cc1OC ZINC000161242781 337575850 /nfs/dbraw/zinc/57/58/50/337575850.db2.gz XKXZGXURJALESQ-CABCVRRESA-N 1 0 321.461 3.950 20 70 DHIDRO CCCCOc1ccc(CC[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000161404944 337584010 /nfs/dbraw/zinc/58/40/10/337584010.db2.gz DEHRTDZFGMJYFQ-INIZCTEOSA-N 1 0 305.462 3.813 20 70 DHIDRO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1cc2ccccc2o1 ZINC000216689424 337603213 /nfs/dbraw/zinc/60/32/13/337603213.db2.gz PSBCFKAAFRCHPC-SQWLQELKSA-N 1 0 314.429 3.778 20 70 DHIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000160519294 338552463 /nfs/dbraw/zinc/55/24/63/338552463.db2.gz VDEOLXICILGOGM-OAHLLOKOSA-N 1 0 307.434 3.530 20 70 DHIDRO C[C@@H](CNc1cc(Cl)nc(C2CC2)n1)C[NH+]1CCCCC1 ZINC000217981993 340491152 /nfs/dbraw/zinc/49/11/52/340491152.db2.gz HUIAKRVJGMVPTL-LBPRGKRZSA-N 1 0 308.857 3.541 20 70 DHIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000161138929 517804354 /nfs/dbraw/zinc/80/43/54/517804354.db2.gz HIPUDGDFDXMUFO-KSSFIOAISA-N 1 0 302.462 3.739 20 70 DHIDRO CC(C)[NH+]1CCC(N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161267965 519673967 /nfs/dbraw/zinc/67/39/67/519673967.db2.gz XYTMCDRPDKCJEF-KRWDZBQOSA-N 1 0 306.425 3.502 20 70 DHIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)c1 ZINC000161437736 519747065 /nfs/dbraw/zinc/74/70/65/519747065.db2.gz SKFDWJBVDVAGKU-OAHLLOKOSA-N 1 0 324.424 3.877 20 70 DHIDRO CC(C)[C@H]([NH2+][C@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022702 519821640 /nfs/dbraw/zinc/82/16/40/519821640.db2.gz IPRODEGHEMIJAC-PXAZEXFGSA-N 1 0 318.442 3.962 20 70 DHIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnc(C(C)C)s1 ZINC000159527016 520635577 /nfs/dbraw/zinc/63/55/77/520635577.db2.gz AHONPAOFHJFLBS-ZDUSSCGKSA-N 1 0 311.495 3.507 20 70 DHIDRO CCCCOc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000160445781 520848275 /nfs/dbraw/zinc/84/82/75/520848275.db2.gz RWWFXRUCBIRQGX-INIZCTEOSA-N 1 0 321.461 3.921 20 70 DHIDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000160433381 521900599 /nfs/dbraw/zinc/90/05/99/521900599.db2.gz BWVMAYPOOWVSIS-MRXNPFEDSA-N 1 0 314.454 3.617 20 70 DHIDRO CC[C@@H]([NH2+]C1CCN(C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000161465035 522812372 /nfs/dbraw/zinc/81/23/72/522812372.db2.gz HAAQVHFQYUQXFF-HXUWFJFHSA-N 1 0 312.457 3.983 20 70 DHIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000159491130 524381395 /nfs/dbraw/zinc/38/13/95/524381395.db2.gz RJIITRKYYHHXFU-OPAMFIHVSA-N 1 0 315.482 3.934 20 70 DHIDRO Cc1ccccc1NC(=O)CSCC[NH+](C(C)C)C(C)C ZINC000160996978 525240972 /nfs/dbraw/zinc/24/09/72/525240972.db2.gz WYKXWBKNJXMWAU-UHFFFAOYSA-N 1 0 308.491 3.786 20 70 DHIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1ccco1 ZINC000160013835 525329675 /nfs/dbraw/zinc/32/96/75/525329675.db2.gz MWTCMDLNDAILMA-LBPRGKRZSA-N 1 0 304.356 3.595 20 70 DHIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(-c2ccccc2)o1 ZINC000159573384 525335406 /nfs/dbraw/zinc/33/54/06/525335406.db2.gz OSQRZDLBLCOORJ-HNNXBMFYSA-N 1 0 312.413 3.610 20 70 DHIDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000160520497 525362784 /nfs/dbraw/zinc/36/27/84/525362784.db2.gz KSROQAZITYZSOZ-LHSJRXKWSA-N 1 0 319.495 3.867 20 70 DHIDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cncs1 ZINC000161157189 525368815 /nfs/dbraw/zinc/36/88/15/525368815.db2.gz MEPKWEVCRCMWNP-JTQLQIEISA-N 1 0 316.348 3.935 20 70 DHIDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000159753189 525415269 /nfs/dbraw/zinc/41/52/69/525415269.db2.gz HKURKEDKCFIQSP-KRWDZBQOSA-N 1 0 304.478 3.535 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000160399312 525642318 /nfs/dbraw/zinc/64/23/18/525642318.db2.gz WLGKHJNGQQYCAS-MWLCHTKSSA-N 1 0 308.274 3.758 20 70 DHIDRO CSc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1F ZINC000159523880 525929999 /nfs/dbraw/zinc/92/99/99/525929999.db2.gz UJSFHZHDJJJKEY-UHFFFAOYSA-N 1 0 324.465 3.540 20 70 DHIDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)c1cccs1 ZINC000159432730 525975462 /nfs/dbraw/zinc/97/54/62/525975462.db2.gz LRJSNWQKDNHDRL-HOTGVXAUSA-N 1 0 320.502 3.719 20 70 DHIDRO Cc1csc(CCCC[NH2+][C@H](C)c2ccc3c(c2)OCO3)n1 ZINC000160710802 526339504 /nfs/dbraw/zinc/33/95/04/526339504.db2.gz XFYHDBXSBGCKED-CYBMUJFWSA-N 1 0 318.442 3.854 20 70 DHIDRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160598369 526607176 /nfs/dbraw/zinc/60/71/76/526607176.db2.gz WPNWNUYMGZZVJK-JTQLQIEISA-N 1 0 308.422 3.679 20 70 DHIDRO O=C1CCCN1C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000160683264 526974927 /nfs/dbraw/zinc/97/49/27/526974927.db2.gz MYOOZXLQRAVRHN-VQTJNVASSA-N 1 0 320.436 3.627 20 70 DHIDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160138171 332764518 /nfs/dbraw/zinc/76/45/18/332764518.db2.gz SKYNHTQULFLAEY-QZTJIDSGSA-N 1 0 300.446 3.661 20 70 DHIDRO CCOC[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160320445 332783559 /nfs/dbraw/zinc/78/35/59/332783559.db2.gz DTNBJHHQVPWXED-NSHDSACASA-N 1 0 323.234 3.512 20 70 DHIDRO CC[C@@H](C)[N@H+](C)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000217366493 332383071 /nfs/dbraw/zinc/38/30/71/332383071.db2.gz VPYAGNHXAMEUPL-SECBINFHSA-N 1 0 309.763 3.896 20 70 DHIDRO CCSc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000159544257 332656810 /nfs/dbraw/zinc/65/68/10/332656810.db2.gz BEYDLJBYVGYWEB-GDBMZVCRSA-N 1 0 309.475 3.645 20 70 DHIDRO CC(C)CSCCC[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000160032025 332749095 /nfs/dbraw/zinc/74/90/95/332749095.db2.gz HQSNZWQTVUBAHD-OAHLLOKOSA-N 1 0 318.490 3.697 20 70 DHIDRO CC[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160778047 333368248 /nfs/dbraw/zinc/36/82/48/333368248.db2.gz NGZPOGQHACMZPV-PGRDOPGGSA-N 1 0 317.454 3.544 20 70 DHIDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000217144145 337245174 /nfs/dbraw/zinc/24/51/74/337245174.db2.gz JGTODBBIGQRGOI-FSZRXZPDSA-N 1 0 320.452 3.759 20 70 DHIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000159969570 338537144 /nfs/dbraw/zinc/53/71/44/338537144.db2.gz XCTVHKGPFNEWLO-IRXDYDNUSA-N 1 0 316.489 3.849 20 70 DHIDRO CCOCCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160306469 519897876 /nfs/dbraw/zinc/89/78/76/519897876.db2.gz FAGYQVGNYAHWIY-UHFFFAOYSA-N 1 0 323.234 3.514 20 70 DHIDRO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@@H]1CC=CCC1 ZINC000160242628 520352372 /nfs/dbraw/zinc/35/23/72/520352372.db2.gz ZQAKWCFBJCUPII-CYBMUJFWSA-N 1 0 308.372 3.582 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000160484278 520555136 /nfs/dbraw/zinc/55/51/36/520555136.db2.gz PVLKOJZPQNEUAU-CQSZACIVSA-N 1 0 302.443 3.857 20 70 DHIDRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000160457277 520894166 /nfs/dbraw/zinc/89/41/66/520894166.db2.gz QYOFOUSCVXEHIL-HLLBOEOZSA-N 1 0 321.461 3.950 20 70 DHIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1ccccn1 ZINC000160079456 520976649 /nfs/dbraw/zinc/97/66/49/520976649.db2.gz XGLGGCKOWZRVOC-QGZVFWFLSA-N 1 0 324.472 3.776 20 70 DHIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000161206963 522086301 /nfs/dbraw/zinc/08/63/01/522086301.db2.gz URYXPSXMNMCCNM-CRAIPNDOSA-N 1 0 302.462 3.514 20 70 DHIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000161206865 522086842 /nfs/dbraw/zinc/08/68/42/522086842.db2.gz URYXPSXMNMCCNM-MAUKXSAKSA-N 1 0 302.462 3.514 20 70 DHIDRO CC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cccs1 ZINC000160602841 522633288 /nfs/dbraw/zinc/63/32/88/522633288.db2.gz YGIUJBVWXDDFHW-OCCSQVGLSA-N 1 0 300.427 3.915 20 70 DHIDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1SC ZINC000160590183 522946137 /nfs/dbraw/zinc/94/61/37/522946137.db2.gz PPNAYEYDZQAVRZ-CFVMTHIKSA-N 1 0 309.475 3.619 20 70 DHIDRO C[NH+]1CCC(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000159905600 523777748 /nfs/dbraw/zinc/77/77/48/523777748.db2.gz CJTPVIQZHDDIRR-UHFFFAOYSA-N 1 0 306.759 3.543 20 70 DHIDRO COc1ccc(CC[C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000159938423 523983180 /nfs/dbraw/zinc/98/31/80/523983180.db2.gz NAZONGSCHCAJGW-KBXCAEBGSA-N 1 0 319.470 3.575 20 70 DHIDRO COc1ccccc1-c1nnc(C[N@H+](C(C)C)C2CCCC2)o1 ZINC000160324233 524287379 /nfs/dbraw/zinc/28/73/79/524287379.db2.gz JOBYQXZLGVGYSX-UHFFFAOYSA-N 1 0 315.417 3.898 20 70 DHIDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1cnccn1 ZINC000161403875 524709819 /nfs/dbraw/zinc/70/98/19/524709819.db2.gz QKRFMZULCJCQPN-NEPJUHHUSA-N 1 0 320.234 3.521 20 70 DHIDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160057878 524723216 /nfs/dbraw/zinc/72/32/16/524723216.db2.gz KEXZKKKDTWFLQE-CQSZACIVSA-N 1 0 300.402 3.728 20 70 DHIDRO C[C@H]1C[C@H]([NH2+]C2CCN(C)CC2)c2cccc(Br)c21 ZINC000161499745 524920893 /nfs/dbraw/zinc/92/08/93/524920893.db2.gz DZNKZXHQOAGDTP-NHYWBVRUSA-N 1 0 323.278 3.681 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1F ZINC000160780339 525149715 /nfs/dbraw/zinc/14/97/15/525149715.db2.gz MGTOFEVRYNFTMQ-GFCCVEGCSA-N 1 0 321.396 3.624 20 70 DHIDRO C[C@](O)(C[NH2+][C@@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160076088 525179278 /nfs/dbraw/zinc/17/92/78/525179278.db2.gz SPAYFZRZTBTBPO-SJORKVTESA-N 1 0 319.495 3.576 20 70 DHIDRO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000159382710 525299814 /nfs/dbraw/zinc/29/98/14/525299814.db2.gz LKZJJEMIASCDMD-BZSNNMDCSA-N 1 0 323.484 3.889 20 70 DHIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(Cl)c1Cl ZINC000159481778 525334692 /nfs/dbraw/zinc/33/46/92/525334692.db2.gz VYIWOAKUYUZDBF-NSHDSACASA-N 1 0 315.244 3.657 20 70 DHIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccc2c(c1)CCC2 ZINC000160579295 525383445 /nfs/dbraw/zinc/38/34/45/525383445.db2.gz ZAOIXZPHNSGCJY-KSSFIOAISA-N 1 0 320.436 3.952 20 70 DHIDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccco1 ZINC000160161629 525530405 /nfs/dbraw/zinc/53/04/05/525530405.db2.gz UHXZKAZCJUKXAJ-STQMWFEESA-N 1 0 313.401 3.975 20 70 DHIDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000159797956 525548851 /nfs/dbraw/zinc/54/88/51/525548851.db2.gz GIKOSPPKIXCMKC-SECBINFHSA-N 1 0 317.742 3.943 20 70 DHIDRO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000160701354 525596380 /nfs/dbraw/zinc/59/63/80/525596380.db2.gz ZPVUNJPEBYMEPA-GOEBONIOSA-N 1 0 314.454 3.762 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000160782370 525735625 /nfs/dbraw/zinc/73/56/25/525735625.db2.gz VJPITWMTVORDPK-DZGCQCFKSA-N 1 0 306.475 3.703 20 70 DHIDRO Cc1c(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)sc2c1CCCC2 ZINC000160987310 525831779 /nfs/dbraw/zinc/83/17/79/525831779.db2.gz FYYABKBSTMIPPP-AGUYFDCRSA-N 1 0 318.486 3.795 20 70 DHIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000161349200 525877740 /nfs/dbraw/zinc/87/77/40/525877740.db2.gz OVQZEWABTIYMCV-CVEARBPZSA-N 1 0 314.454 3.860 20 70 DHIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000161349456 525884700 /nfs/dbraw/zinc/88/47/00/525884700.db2.gz OVQZEWABTIYMCV-HZPDHXFCSA-N 1 0 314.454 3.860 20 70 DHIDRO C[C@H](c1ccco1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000159760575 526144794 /nfs/dbraw/zinc/14/47/94/526144794.db2.gz VGPZKURLAMNLQJ-CQSZACIVSA-N 1 0 311.385 3.955 20 70 DHIDRO Fc1ccc(C[N@H+](CCc2ccccn2)Cc2ccccn2)cc1 ZINC000160321622 526329420 /nfs/dbraw/zinc/32/94/20/526329420.db2.gz NJSHAZCHUGETAG-UHFFFAOYSA-N 1 0 321.399 3.861 20 70 DHIDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCC(C)(C)O ZINC000159807985 526604606 /nfs/dbraw/zinc/60/46/06/526604606.db2.gz ZDCMYBCOYFJADI-GFCCVEGCSA-N 1 0 304.459 3.930 20 70 DHIDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCC(C)(C)O ZINC000159808090 526606361 /nfs/dbraw/zinc/60/63/61/526606361.db2.gz ZDCMYBCOYFJADI-LBPRGKRZSA-N 1 0 304.459 3.930 20 70 DHIDRO [NH3+]CCCCCCC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159599805 527174163 /nfs/dbraw/zinc/17/41/63/527174163.db2.gz XPWJLTKBPGWPAY-UHFFFAOYSA-N 1 0 318.461 3.994 20 70 DHIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCSc1ccc(Cl)cc1 ZINC000160086544 527578420 /nfs/dbraw/zinc/57/84/20/527578420.db2.gz JDTPJBKPSVHHFT-HNNXBMFYSA-N 1 0 321.877 3.833 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000160203522 332776202 /nfs/dbraw/zinc/77/62/02/332776202.db2.gz VNKJINNKOJAHHZ-MOPGFXCFSA-N 1 0 315.482 3.674 20 70 DHIDRO CC1(C)CC(NC(=O)NCCC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000217305140 331566158 /nfs/dbraw/zinc/56/61/58/331566158.db2.gz FGJNBBUVOSKNAK-UHFFFAOYSA-N 1 0 309.498 3.565 20 70 DHIDRO COc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c(OC)c1 ZINC000160937469 331675704 /nfs/dbraw/zinc/67/57/04/331675704.db2.gz ZLXMBOYOGASLDY-UHFFFAOYSA-N 1 0 309.768 3.786 20 70 DHIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cc1 ZINC000159508769 332446389 /nfs/dbraw/zinc/44/63/89/332446389.db2.gz OXWBNNDCLLPNSE-YRBFXIGRSA-N 1 0 323.502 3.956 20 70 DHIDRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000159794900 332705383 /nfs/dbraw/zinc/70/53/83/332705383.db2.gz VNIOLJZIMVOVEU-GFCCVEGCSA-N 1 0 311.351 3.907 20 70 DHIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000160000320 332744562 /nfs/dbraw/zinc/74/45/62/332744562.db2.gz YPTKTGPBUGIASO-LLVKDONJSA-N 1 0 317.260 3.806 20 70 DHIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@]1(C)CC ZINC000160738474 333485229 /nfs/dbraw/zinc/48/52/29/333485229.db2.gz VBNVIXNGVJVWQD-KXBFYZLASA-N 1 0 318.461 3.782 20 70 DHIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000160999232 333777266 /nfs/dbraw/zinc/77/72/66/333777266.db2.gz HNYNBBOIUAXEEO-AWEZNQCLSA-N 1 0 320.502 3.897 20 70 DHIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000161416942 334889570 /nfs/dbraw/zinc/88/95/70/334889570.db2.gz AYSLBBAYLIKFLJ-CABCVRRESA-N 1 0 304.434 3.501 20 70 DHIDRO CCOC(=O)CCC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000216646917 336263818 /nfs/dbraw/zinc/26/38/18/336263818.db2.gz LPHHQCGBLYZLKF-UHFFFAOYSA-N 1 0 304.217 3.769 20 70 DHIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)Cc1cccs1 ZINC000216829717 336386817 /nfs/dbraw/zinc/38/68/17/336386817.db2.gz DPPOCVGWVLHHJF-LSDHHAIUSA-N 1 0 308.491 3.750 20 70 DHIDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000216625940 337223975 /nfs/dbraw/zinc/22/39/75/337223975.db2.gz FZEGFUJAGPNTOK-LBPRGKRZSA-N 1 0 307.340 3.703 20 70 DHIDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCOc2ccc(F)cc2)c1 ZINC000216777661 337226740 /nfs/dbraw/zinc/22/67/40/337226740.db2.gz COJBSZSITFGEIF-CYBMUJFWSA-N 1 0 319.376 3.573 20 70 DHIDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000217644825 337318477 /nfs/dbraw/zinc/31/84/77/337318477.db2.gz DEVAXJYYFVIIGL-AVGNSLFASA-N 1 0 317.458 3.792 20 70 DHIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000217966937 337323468 /nfs/dbraw/zinc/32/34/68/337323468.db2.gz TVARFGJMUXJFLT-IPELMVKDSA-N 1 0 314.473 3.907 20 70 DHIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)cc1OC ZINC000161252683 337575318 /nfs/dbraw/zinc/57/53/18/337575318.db2.gz BFZSFSFKWNUVID-KBXCAEBGSA-N 1 0 321.461 3.950 20 70 DHIDRO Clc1ccccc1[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161335159 337581684 /nfs/dbraw/zinc/58/16/84/337581684.db2.gz GBFKXPLQTXMUCQ-GOSISDBHSA-N 1 0 322.880 3.589 20 70 DHIDRO CC(C)n1cc([C@@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160417789 519971153 /nfs/dbraw/zinc/97/11/53/519971153.db2.gz MJIYPNXAQBNEPE-CRAIPNDOSA-N 1 0 306.498 3.625 20 70 DHIDRO CCCOc1c(C[NH2+][C@H]2CCOC(C)(C)C2)cccc1OCC ZINC000160477218 520291532 /nfs/dbraw/zinc/29/15/32/520291532.db2.gz YBZAHJIYHAYPIP-INIZCTEOSA-N 1 0 321.461 3.921 20 70 DHIDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)CCO1 ZINC000159937829 520557795 /nfs/dbraw/zinc/55/77/95/520557795.db2.gz VCABPTBJDRIZJM-HIFRSBDPSA-N 1 0 324.262 3.984 20 70 DHIDRO CCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OCC ZINC000160575366 521006642 /nfs/dbraw/zinc/00/66/42/521006642.db2.gz YHVPUAMOICMFPV-OAHLLOKOSA-N 1 0 307.434 3.531 20 70 DHIDRO CCCC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160473055 521103142 /nfs/dbraw/zinc/10/31/42/521103142.db2.gz RKKCSSJZWOBACV-IAGOWNOFSA-N 1 0 316.424 3.562 20 70 DHIDRO CCCC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160472940 521241217 /nfs/dbraw/zinc/24/12/17/521241217.db2.gz RKKCSSJZWOBACV-SJORKVTESA-N 1 0 316.424 3.562 20 70 DHIDRO CCc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000160958563 522666899 /nfs/dbraw/zinc/66/68/99/522666899.db2.gz HSUPAJZHZZUFNG-CYBMUJFWSA-N 1 0 309.866 3.865 20 70 DHIDRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1Cl ZINC000161314521 522828816 /nfs/dbraw/zinc/82/88/16/522828816.db2.gz VVTOEMXHRJRXDC-GFCCVEGCSA-N 1 0 320.820 3.911 20 70 DHIDRO CC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1 ZINC000161144089 522830214 /nfs/dbraw/zinc/83/02/14/522830214.db2.gz IQJOWQXKTOYSEH-QGZVFWFLSA-N 1 0 312.461 3.678 20 70 DHIDRO C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCCOC1 ZINC000160096392 523215041 /nfs/dbraw/zinc/21/50/41/523215041.db2.gz WLYLMLDJNKNTMO-MRXNPFEDSA-N 1 0 319.445 3.500 20 70 DHIDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159978568 523858827 /nfs/dbraw/zinc/85/88/27/523858827.db2.gz NQSSCLPDZPQLLQ-GUYCJALGSA-N 1 0 305.443 3.623 20 70 DHIDRO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000159648086 525015153 /nfs/dbraw/zinc/01/51/53/525015153.db2.gz RDNUDEHAIIJOQA-INIZCTEOSA-N 1 0 317.477 3.511 20 70 DHIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(-n2cncn2)cc1 ZINC000159814260 525343411 /nfs/dbraw/zinc/34/34/11/525343411.db2.gz HFLGBCFMGWGRTF-HNNXBMFYSA-N 1 0 324.403 3.690 20 70 DHIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483346 525377733 /nfs/dbraw/zinc/37/77/33/525377733.db2.gz XBEKLDGABKYIIZ-FZMZJTMJSA-N 1 0 309.331 3.531 20 70 DHIDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cncs1 ZINC000160528812 525525926 /nfs/dbraw/zinc/52/59/26/525525926.db2.gz DAUVTNRQTOQRRL-CQSZACIVSA-N 1 0 316.474 3.769 20 70 DHIDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000160163451 525531961 /nfs/dbraw/zinc/53/19/61/525531961.db2.gz HTTWDEVBDPBCSY-STQMWFEESA-N 1 0 300.358 3.648 20 70 DHIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1 ZINC000161104984 525612040 /nfs/dbraw/zinc/61/20/40/525612040.db2.gz FVIPZGMPGMBXRW-QEJZJMRPSA-N 1 0 303.475 3.820 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000160782133 525736058 /nfs/dbraw/zinc/73/60/58/525736058.db2.gz VJPITWMTVORDPK-ZFWWWQNUSA-N 1 0 306.475 3.703 20 70 DHIDRO Cc1csc(CCCC[NH2+][C@H](C)c2cnc(C)nc2C)n1 ZINC000160663240 526339946 /nfs/dbraw/zinc/33/99/46/526339946.db2.gz JXFFMIYHXAUOIQ-GFCCVEGCSA-N 1 0 304.463 3.532 20 70 DHIDRO Cc1nc(CC[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000160263123 526827997 /nfs/dbraw/zinc/82/79/97/526827997.db2.gz OMMRNILRAAOYRL-LBPRGKRZSA-N 1 0 313.426 4.000 20 70 DHIDRO Cc1nc(CC[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000160263265 526828570 /nfs/dbraw/zinc/82/85/70/526828570.db2.gz OMMRNILRAAOYRL-GFCCVEGCSA-N 1 0 313.426 4.000 20 70 DHIDRO [NH3+]C1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCCCC1 ZINC000161136306 527129077 /nfs/dbraw/zinc/12/90/77/527129077.db2.gz RRNIPKUHPPREIM-UHFFFAOYSA-N 1 0 316.445 3.746 20 70 DHIDRO Cn1cc(C[NH2+][C@@H]2CCCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159782146 527222279 /nfs/dbraw/zinc/22/22/79/527222279.db2.gz SIMYBEWLIGREMM-OAHLLOKOSA-N 1 0 323.362 3.996 20 70 DHIDRO CCC[C@@H]([NH2+][C@@H](CC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160200966 332775116 /nfs/dbraw/zinc/77/51/16/332775116.db2.gz KPBPBDGVTZYCHG-JKSUJKDBSA-N 1 0 320.502 3.580 20 70 DHIDRO CC[C@@H](C[NH2+][C@@H](C)C1CCOCC1)Oc1ccccc1Cl ZINC000160454953 332798269 /nfs/dbraw/zinc/79/82/69/332798269.db2.gz SHLUGLJCLBNQKJ-ZFWWWQNUSA-N 1 0 311.853 3.902 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cnc(-c3cccs3)s2)CCO1 ZINC000160459543 332800029 /nfs/dbraw/zinc/80/00/29/332800029.db2.gz LZTIZNMHBDELKJ-LLVKDONJSA-N 1 0 308.472 3.919 20 70 DHIDRO CC[NH2+]CC1CCN(C(=O)CC(C)(C)c2ccc(C)cc2)CC1 ZINC000161100946 332524063 /nfs/dbraw/zinc/52/40/63/332524063.db2.gz JDSLMJGWRVBJAU-UHFFFAOYSA-N 1 0 316.489 3.511 20 70 DHIDRO Cc1c2ccccc2oc1[C@@H](NC(=O)CC[NH2+]C(C)C)C(C)C ZINC000159696508 332691666 /nfs/dbraw/zinc/69/16/66/332691666.db2.gz FUIWNFURRYEBIR-SFHVURJKSA-N 1 0 316.445 3.943 20 70 DHIDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000159963395 332738585 /nfs/dbraw/zinc/73/85/85/332738585.db2.gz BCBMOCORKXDCAL-AAEUAGOBSA-N 1 0 312.335 3.720 20 70 DHIDRO C[C@@H](CCc1cccc(F)c1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161017575 333781186 /nfs/dbraw/zinc/78/11/86/333781186.db2.gz BYJWBMPLNOIOPL-HNAYVOBHSA-N 1 0 301.405 3.860 20 70 DHIDRO CCCn1ccc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc21 ZINC000161281406 334887866 /nfs/dbraw/zinc/88/78/66/334887866.db2.gz GMSLNXWVMNXFQA-SFHVURJKSA-N 1 0 321.424 3.560 20 70 DHIDRO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000216681315 336396265 /nfs/dbraw/zinc/39/62/65/336396265.db2.gz OKYOVCMDYAHCGX-OAHLLOKOSA-N 1 0 320.502 3.965 20 70 DHIDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046281 337082442 /nfs/dbraw/zinc/08/24/42/337082442.db2.gz CKQGLAWIBAQGCH-BEFAXECRSA-N 1 0 314.473 3.812 20 70 DHIDRO CC[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218207191 337082669 /nfs/dbraw/zinc/08/26/69/337082669.db2.gz JEFBNDNAXMFREK-INIZCTEOSA-N 1 0 308.853 3.783 20 70 DHIDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc2ccccc21 ZINC000218169923 337325408 /nfs/dbraw/zinc/32/54/08/337325408.db2.gz ISRMAWMWQGPTCH-WMZOPIPTSA-N 1 0 321.420 3.930 20 70 DHIDRO CC(C)c1ccc([C@@H]([NH2+]C2CCN(C(N)=O)CC2)C(C)C)cc1 ZINC000160412848 519839338 /nfs/dbraw/zinc/83/93/38/519839338.db2.gz VAWLUSLGUHHGFB-SFHVURJKSA-N 1 0 317.477 3.640 20 70 DHIDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)COCc2ccccc2)cn1 ZINC000161310150 519971390 /nfs/dbraw/zinc/97/13/90/519971390.db2.gz HHWITUUUFJFAFB-DLBZAZTESA-N 1 0 315.461 3.968 20 70 DHIDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)COCc2ccccc2)cn1 ZINC000161310033 519978269 /nfs/dbraw/zinc/97/82/69/519978269.db2.gz HHWITUUUFJFAFB-SJORKVTESA-N 1 0 315.461 3.968 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000160614613 520555482 /nfs/dbraw/zinc/55/54/82/520555482.db2.gz NQKHTTAVDBKRHH-OAHLLOKOSA-N 1 0 304.821 3.935 20 70 DHIDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000159401776 521371475 /nfs/dbraw/zinc/37/14/75/521371475.db2.gz RNNQZOBSQWJBPZ-RCDICMHDSA-N 1 0 317.454 3.674 20 70 DHIDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000159401904 521374477 /nfs/dbraw/zinc/37/44/77/521374477.db2.gz RNNQZOBSQWJBPZ-JLCFBVMHSA-N 1 0 317.454 3.674 20 70 DHIDRO CCC[N@H+](Cc1cn(C)nc1-c1ccncc1)Cc1ccccc1 ZINC000160480623 521691788 /nfs/dbraw/zinc/69/17/88/521691788.db2.gz HVLKBSPJZXGBON-UHFFFAOYSA-N 1 0 320.440 3.894 20 70 DHIDRO CCc1nn(C)c(Cl)c1C[NH2+][C@H]1CCCc2sccc21 ZINC000160958695 522668323 /nfs/dbraw/zinc/66/83/23/522668323.db2.gz HSUPAJZHZZUFNG-ZDUSSCGKSA-N 1 0 309.866 3.865 20 70 DHIDRO C[C@@H](C1CC1)[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000159684061 524322652 /nfs/dbraw/zinc/32/26/52/524322652.db2.gz IVEYBSKTZDDZBM-ZDUSSCGKSA-N 1 0 314.454 3.648 20 70 DHIDRO C[C@@H](CC(=O)NC(C)(C)c1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000159647093 524364020 /nfs/dbraw/zinc/36/40/20/524364020.db2.gz SHFFVNHLZDZOPA-KBPBESRZSA-N 1 0 322.880 3.717 20 70 DHIDRO Cc1cc(C[NH2+][C@H]2CCCc3sccc32)ccc1-n1cncn1 ZINC000160959741 524782195 /nfs/dbraw/zinc/78/21/95/524782195.db2.gz WJRWJSSUCWARJM-INIZCTEOSA-N 1 0 324.453 3.804 20 70 DHIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2F)n1 ZINC000160410409 524850414 /nfs/dbraw/zinc/85/04/14/524850414.db2.gz HVNNZZNVIMVPIC-ROUUACIJSA-N 1 0 318.367 3.539 20 70 DHIDRO C[C@H]1C[C@H]1[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000161294658 524966810 /nfs/dbraw/zinc/96/68/10/524966810.db2.gz QUICWAOVMVKNRG-BJOOFOGMSA-N 1 0 320.864 3.543 20 70 DHIDRO C[C@](O)(C[NH2+][C@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160076374 525182073 /nfs/dbraw/zinc/18/20/73/525182073.db2.gz SPAYFZRZTBTBPO-IRXDYDNUSA-N 1 0 319.495 3.576 20 70 DHIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(SCC(F)(F)F)cc1 ZINC000160590592 525309371 /nfs/dbraw/zinc/30/93/71/525309371.db2.gz RMNYKNBMCVPSGJ-JTQLQIEISA-N 1 0 307.381 3.763 20 70 DHIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(SCC(F)F)cc1 ZINC000161421581 525400891 /nfs/dbraw/zinc/40/08/91/525400891.db2.gz CCBLMIYKXAOSTN-GFCCVEGCSA-N 1 0 314.445 3.789 20 70 DHIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)ccc1Cl ZINC000159576775 525434779 /nfs/dbraw/zinc/43/47/79/525434779.db2.gz PMPPJQZNIRMEPU-LLVKDONJSA-N 1 0 315.244 3.657 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000160282901 525698574 /nfs/dbraw/zinc/69/85/74/525698574.db2.gz HCKYUQCTWZGCRJ-KOLCDFICSA-N 1 0 308.274 3.758 20 70 DHIDRO Cc1c(Cl)c(C[NH+]2CCC(C)(O)CC2)nc2ccccc12 ZINC000161191220 525743827 /nfs/dbraw/zinc/74/38/27/525743827.db2.gz HUESMLWYISWSFY-UHFFFAOYSA-N 1 0 304.821 3.543 20 70 DHIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000161349336 525893809 /nfs/dbraw/zinc/89/38/09/525893809.db2.gz OVQZEWABTIYMCV-HOTGVXAUSA-N 1 0 314.454 3.860 20 70 DHIDRO Cc1ccc(C(=O)CC[N@H+]2CCN(C)CC23CCCCC3)cc1 ZINC000160036555 526043599 /nfs/dbraw/zinc/04/35/99/526043599.db2.gz FHXDZJSRZWJWQH-UHFFFAOYSA-N 1 0 314.473 3.518 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000161010739 526084620 /nfs/dbraw/zinc/08/46/20/526084620.db2.gz DXTPGYFXUUEAAG-QFBILLFUSA-N 1 0 314.473 3.768 20 70 DHIDRO Clc1ccc(CN2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000159596488 526944651 /nfs/dbraw/zinc/94/46/51/526944651.db2.gz CPWOSZMOSBEYDM-QGZVFWFLSA-N 1 0 324.921 3.790 20 70 DHIDRO Clc1ccccc1CN1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159555641 526986955 /nfs/dbraw/zinc/98/69/55/526986955.db2.gz TUEKYNCUNKHXMA-MRXNPFEDSA-N 1 0 324.921 3.790 20 70 DHIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1 ZINC000161294790 527377690 /nfs/dbraw/zinc/37/76/90/527377690.db2.gz SXRATRNLPPXDLC-OAHLLOKOSA-N 1 0 306.413 3.735 20 70 DHIDRO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000218742149 201541127 /nfs/dbraw/zinc/54/11/27/201541127.db2.gz VEOCWNAUILCBBR-AOLWHUPESA-N 1 0 306.425 3.875 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000160570996 332825430 /nfs/dbraw/zinc/82/54/30/332825430.db2.gz CZMJNBSWJZHQSY-FQEVSTJZSA-N 1 0 322.452 3.912 20 70 DHIDRO CCc1nc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)cs1 ZINC000159368383 332079876 /nfs/dbraw/zinc/07/98/76/332079876.db2.gz OWXQCIRJROQEKN-UHFFFAOYSA-N 1 0 317.502 3.706 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417556 332100369 /nfs/dbraw/zinc/10/03/69/332100369.db2.gz CJSHBBMVCYFZBL-KSSFIOAISA-N 1 0 309.450 3.542 20 70 DHIDRO CCSc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000159544380 332656717 /nfs/dbraw/zinc/65/67/17/332656717.db2.gz BEYDLJBYVGYWEB-GOEBONIOSA-N 1 0 309.475 3.645 20 70 DHIDRO CC(C)[NH2+]CCC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881468 333678354 /nfs/dbraw/zinc/67/83/54/333678354.db2.gz HAFAAYFFXWERDA-UHFFFAOYSA-N 1 0 322.880 3.509 20 70 DHIDRO C[C@H]([NH2+]CCOc1ccccc1-c1ccccc1)c1cnccn1 ZINC000161091083 333806190 /nfs/dbraw/zinc/80/61/90/333806190.db2.gz GDVKYRBBXMWNDZ-INIZCTEOSA-N 1 0 319.408 3.873 20 70 DHIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(SC(F)F)c1 ZINC000161209793 334887370 /nfs/dbraw/zinc/88/73/70/334887370.db2.gz PCWFKEWYWAFIOX-UHFFFAOYSA-N 1 0 302.390 3.705 20 70 DHIDRO Cc1ccc(Oc2ccccc2)c(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000161500894 334890446 /nfs/dbraw/zinc/89/04/46/334890446.db2.gz VSLVOZXCPHQRGU-OAHLLOKOSA-N 1 0 310.397 3.868 20 70 DHIDRO COc1ccc(OCC[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000216626229 336263721 /nfs/dbraw/zinc/26/37/21/336263721.db2.gz ZVLRWRSZEGFJQC-KRWDZBQOSA-N 1 0 315.438 3.901 20 70 DHIDRO CC[C@@H]([NH2+]CCOc1ccccc1F)c1ccc(OC)cc1 ZINC000216780777 337226715 /nfs/dbraw/zinc/22/67/15/337226715.db2.gz JIQHVBSKDDOHHX-QGZVFWFLSA-N 1 0 303.377 3.954 20 70 DHIDRO CCCn1ccc2ccc(NC(=O)[C@H]([NH3+])Cc3ccccc3)cc21 ZINC000161281769 337578556 /nfs/dbraw/zinc/57/85/56/337578556.db2.gz GMSLNXWVMNXFQA-GOSISDBHSA-N 1 0 321.424 3.560 20 70 DHIDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161452890 337585858 /nfs/dbraw/zinc/58/58/58/337585858.db2.gz BMJBGTHGSGBQGW-HZMBPMFUSA-N 1 0 305.315 3.522 20 70 DHIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000159969322 338537035 /nfs/dbraw/zinc/53/70/35/338537035.db2.gz XCTVHKGPFNEWLO-SJORKVTESA-N 1 0 316.489 3.849 20 70 DHIDRO CC(C)(O)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000160597070 519361601 /nfs/dbraw/zinc/36/16/01/519361601.db2.gz QOPCFPDBJSJCMY-ZDUSSCGKSA-N 1 0 302.443 3.548 20 70 DHIDRO CC(=O)NC1CCC([NH2+][C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000161295137 519646029 /nfs/dbraw/zinc/64/60/29/519646029.db2.gz XELCAEGCIOCIMF-RWBZWWBESA-N 1 0 318.461 3.572 20 70 DHIDRO CC(C)[NH+](CCSCc1ccc(-n2ccnc2)nc1)C(C)C ZINC000161027241 519650540 /nfs/dbraw/zinc/65/05/40/519650540.db2.gz DELMWVDFYDILRJ-UHFFFAOYSA-N 1 0 318.490 3.619 20 70 DHIDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cn1 ZINC000160081671 519779946 /nfs/dbraw/zinc/77/99/46/519779946.db2.gz FWDUUPBBAYJIGI-KRWDZBQOSA-N 1 0 312.413 3.872 20 70 DHIDRO CC(C)[C@@H]([NH2+]CCC(C)(C)C)c1nc(-c2ccncc2)no1 ZINC000159605806 519798942 /nfs/dbraw/zinc/79/89/42/519798942.db2.gz FOGKHBINYXVGDG-CQSZACIVSA-N 1 0 302.422 3.855 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000160636541 519903726 /nfs/dbraw/zinc/90/37/26/519903726.db2.gz QTHRAEHTTGBXQY-INIZCTEOSA-N 1 0 310.441 3.986 20 70 DHIDRO CCCOc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000160519600 520310356 /nfs/dbraw/zinc/31/03/56/520310356.db2.gz GBRUCSSMKCXEEV-OAHLLOKOSA-N 1 0 307.434 3.531 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000160550059 520523343 /nfs/dbraw/zinc/52/33/43/520523343.db2.gz RKRLGQPOPDXFLE-ZDUSSCGKSA-N 1 0 305.315 3.892 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000160579100 520523994 /nfs/dbraw/zinc/52/39/94/520523994.db2.gz WFHDHCBRVLDMAO-AWEZNQCLSA-N 1 0 302.443 3.857 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCO1 ZINC000160512411 520524216 /nfs/dbraw/zinc/52/42/16/520524216.db2.gz QNJRMLRMQBWKQE-HNNXBMFYSA-N 1 0 319.836 3.573 20 70 DHIDRO CC[N@@H+](c1ccc(NC2CCC(NC(C)=O)CC2)cc1)C(C)C ZINC000161142636 521489952 /nfs/dbraw/zinc/48/99/52/521489952.db2.gz FUZXPCZWAOXEKC-UHFFFAOYSA-N 1 0 317.477 3.781 20 70 DHIDRO CCn1cc([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)cn1 ZINC000160616054 523471832 /nfs/dbraw/zinc/47/18/32/523471832.db2.gz UQHCVMPLCGLWOX-ZDUSSCGKSA-N 1 0 318.490 3.522 20 70 DHIDRO CC[C@](C)([NH2+]CCC(=O)c1ccc(C)cc1)c1nccs1 ZINC000160608672 523485809 /nfs/dbraw/zinc/48/58/09/523485809.db2.gz HMTKAKMIVRMBNE-KRWDZBQOSA-N 1 0 302.443 3.939 20 70 DHIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000159491003 524381616 /nfs/dbraw/zinc/38/16/16/524381616.db2.gz RJIITRKYYHHXFU-KSFYIVLOSA-N 1 0 315.482 3.934 20 70 DHIDRO Cc1ccccc1-c1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159786642 525005271 /nfs/dbraw/zinc/00/52/71/525005271.db2.gz RYRIIBBRMRSWML-UHFFFAOYSA-N 1 0 322.452 3.749 20 70 DHIDRO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000159648219 525159586 /nfs/dbraw/zinc/15/95/86/525159586.db2.gz RDNUDEHAIIJOQA-MRXNPFEDSA-N 1 0 317.477 3.511 20 70 DHIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000161477872 525378222 /nfs/dbraw/zinc/37/82/22/525378222.db2.gz HVUWTVKTQNCIBA-BBRMVZONSA-N 1 0 321.367 3.715 20 70 DHIDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cncs1 ZINC000160481039 525444316 /nfs/dbraw/zinc/44/43/16/525444316.db2.gz IPMNPLWZEQQYFX-AWEZNQCLSA-N 1 0 316.474 3.625 20 70 DHIDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000159797827 525475557 /nfs/dbraw/zinc/47/55/57/525475557.db2.gz GIKOSPPKIXCMKC-VIFPVBQESA-N 1 0 317.742 3.943 20 70 DHIDRO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000160527826 526088148 /nfs/dbraw/zinc/08/81/48/526088148.db2.gz IJTKMNBEDCSQKA-QGTPRVQTSA-N 1 0 300.446 3.504 20 70 DHIDRO Cc1ccc(C(C)(C)CN(C)C(=O)CCCCCC[NH3+])cc1 ZINC000161254956 526244482 /nfs/dbraw/zinc/24/44/82/526244482.db2.gz FPNMYVWRWMSPHU-UHFFFAOYSA-N 1 0 304.478 3.640 20 70 DHIDRO Clc1ccc(C2(C[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161416833 526940954 /nfs/dbraw/zinc/94/09/54/526940954.db2.gz UOKUWABJUAUHCL-UHFFFAOYSA-N 1 0 321.848 3.647 20 70 DHIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159586577 527382677 /nfs/dbraw/zinc/38/26/77/527382677.db2.gz AMTXUWITPTYTAE-BBRMVZONSA-N 1 0 301.459 3.727 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000160203945 332776088 /nfs/dbraw/zinc/77/60/88/332776088.db2.gz VNKJINNKOJAHHZ-RBUKOAKNSA-N 1 0 315.482 3.674 20 70 DHIDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCOCC(F)(F)F ZINC000159368563 332079716 /nfs/dbraw/zinc/07/97/16/332079716.db2.gz IYWXZZMMKDIXNH-SECBINFHSA-N 1 0 311.731 3.578 20 70 DHIDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161038193 332466656 /nfs/dbraw/zinc/46/66/56/332466656.db2.gz OEWRNXJDLOFRIL-JKSUJKDBSA-N 1 0 310.441 3.729 20 70 DHIDRO CCC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000159748773 332699618 /nfs/dbraw/zinc/69/96/18/332699618.db2.gz GMDKUXMQAUIZME-CQSZACIVSA-N 1 0 322.880 3.509 20 70 DHIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159975261 332740686 /nfs/dbraw/zinc/74/06/86/332740686.db2.gz QBTRCYIPQBHYLK-LBPRGKRZSA-N 1 0 316.367 3.518 20 70 DHIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000160000187 332744565 /nfs/dbraw/zinc/74/45/65/332744565.db2.gz YPTKTGPBUGIASO-NSHDSACASA-N 1 0 317.260 3.806 20 70 DHIDRO CC(C)CSCCC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160031877 332749141 /nfs/dbraw/zinc/74/91/41/332749141.db2.gz HQSNZWQTVUBAHD-HNNXBMFYSA-N 1 0 318.490 3.697 20 70 DHIDRO CC(C)[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000160037038 332749678 /nfs/dbraw/zinc/74/96/78/332749678.db2.gz XNTAYHGGQHADHH-HNNXBMFYSA-N 1 0 306.416 3.675 20 70 DHIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000160961258 333697910 /nfs/dbraw/zinc/69/79/10/333697910.db2.gz ROBWNTOENBMLCO-GFCCVEGCSA-N 1 0 320.433 3.729 20 70 DHIDRO CC[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H]1CCOC1 ZINC000161033736 333787366 /nfs/dbraw/zinc/78/73/66/333787366.db2.gz NJVKKDPQSOFTPC-JTDSTZFVSA-N 1 0 319.445 3.560 20 70 DHIDRO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160529959 334875566 /nfs/dbraw/zinc/87/55/66/334875566.db2.gz GJXUJEFRPHJLQN-QAPCUYQASA-N 1 0 300.446 3.518 20 70 DHIDRO COc1ccc(OC)c([C@H](C)[NH2+]CCOc2ccc(F)cc2)c1 ZINC000216777699 337226675 /nfs/dbraw/zinc/22/66/75/337226675.db2.gz COJBSZSITFGEIF-ZDUSSCGKSA-N 1 0 319.376 3.573 20 70 DHIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000217966779 337323670 /nfs/dbraw/zinc/32/36/70/337323670.db2.gz TVARFGJMUXJFLT-LZQZEXGQSA-N 1 0 314.473 3.907 20 70 DHIDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218046096 337324482 /nfs/dbraw/zinc/32/44/82/337324482.db2.gz FODHUZQCBKHSHZ-YYAJDYIMSA-N 1 0 314.473 3.620 20 70 DHIDRO COc1ccc([C@H]([NH2+]CCOc2ccc(F)cc2)C2CC2)cc1 ZINC000218196699 337325433 /nfs/dbraw/zinc/32/54/33/337325433.db2.gz ZCACELJGYXMHKX-LJQANCHMSA-N 1 0 315.388 3.954 20 70 DHIDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc(C)c1F ZINC000161277216 337578007 /nfs/dbraw/zinc/57/80/07/337578007.db2.gz VHJSHRLERDULRG-CQSZACIVSA-N 1 0 320.433 3.537 20 70 DHIDRO Cc1ccccc1OCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000161346110 337580548 /nfs/dbraw/zinc/58/05/48/337580548.db2.gz HITBUDOEDLIKLE-UHFFFAOYSA-N 1 0 310.441 3.632 20 70 DHIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000161463165 337587026 /nfs/dbraw/zinc/58/70/26/337587026.db2.gz HIHAJWZZSMCUMA-YXWAVELNSA-N 1 0 320.521 3.972 20 70 DHIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000161463404 337587036 /nfs/dbraw/zinc/58/70/36/337587036.db2.gz HIHAJWZZSMCUMA-SMVLHYPJSA-N 1 0 320.521 3.972 20 70 DHIDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000218719592 337964520 /nfs/dbraw/zinc/96/45/20/337964520.db2.gz RRDYGAKEKUNZPJ-MJVIPROJSA-N 1 0 312.816 3.974 20 70 DHIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000161281308 519645175 /nfs/dbraw/zinc/64/51/75/519645175.db2.gz WPCYZTKTSZIUSO-UHFFFAOYSA-N 1 0 316.489 3.564 20 70 DHIDRO CC(=O)Nc1ccccc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000160434456 519750811 /nfs/dbraw/zinc/75/08/11/519750811.db2.gz YYFBONGUONZSDD-UHFFFAOYSA-N 1 0 321.424 3.849 20 70 DHIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cn1 ZINC000160075945 519779806 /nfs/dbraw/zinc/77/98/06/519779806.db2.gz QMNLWQJZQVXTRC-LBPRGKRZSA-N 1 0 306.356 3.998 20 70 DHIDRO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000160798661 519786581 /nfs/dbraw/zinc/78/65/81/519786581.db2.gz TXEKICLPNCWPIU-MRXNPFEDSA-N 1 0 323.502 3.500 20 70 DHIDRO CCCC1(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000160798709 519893325 /nfs/dbraw/zinc/89/33/25/519893325.db2.gz GSNKPFMHAYVLMD-UHFFFAOYSA-N 1 0 314.429 3.805 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)c1 ZINC000160176078 519898882 /nfs/dbraw/zinc/89/88/82/519898882.db2.gz JIYZCWDAVXTBQC-MRXNPFEDSA-N 1 0 310.441 3.904 20 70 DHIDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000159563497 520272122 /nfs/dbraw/zinc/27/21/22/520272122.db2.gz IGBQTCWJTJPUDS-GOSISDBHSA-N 1 0 303.446 3.849 20 70 DHIDRO CCCCOc1cccc(C[NH2+][C@@H](CC)c2cnn(C)c2)c1 ZINC000160815047 520902315 /nfs/dbraw/zinc/90/23/15/520902315.db2.gz LUOIZFVTBAOFGP-SFHVURJKSA-N 1 0 301.434 3.840 20 70 DHIDRO CC[N@H+](CCCc1cccc(OC)c1)CCc1nccs1 ZINC000159372893 521042966 /nfs/dbraw/zinc/04/29/66/521042966.db2.gz PZBQUXZNXIYUMJ-UHFFFAOYSA-N 1 0 304.459 3.649 20 70 DHIDRO CC[C@H](C[NH2+][C@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160322120 522201078 /nfs/dbraw/zinc/20/10/78/522201078.db2.gz GWQCZDAGNRMLEG-UKRRQHHQSA-N 1 0 305.397 3.550 20 70 DHIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000161066438 522221363 /nfs/dbraw/zinc/22/13/63/522221363.db2.gz UZASJHADPBKSRE-FOIQADDNSA-N 1 0 322.452 3.992 20 70 DHIDRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CC1CC[NH2+]CC1 ZINC000161247048 522625707 /nfs/dbraw/zinc/62/57/07/522625707.db2.gz MQZCNGFCCAADFQ-IBGZPJMESA-N 1 0 316.489 3.554 20 70 DHIDRO CC[C@@H](NC(=O)CCCCCC[NH3+])C(C)(C)c1ccccc1 ZINC000160760715 522673498 /nfs/dbraw/zinc/67/34/98/522673498.db2.gz WGDOXNKDEDJDCJ-QGZVFWFLSA-N 1 0 304.478 3.768 20 70 DHIDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000159927549 523728773 /nfs/dbraw/zinc/72/87/73/523728773.db2.gz NWLNLFBDJUPJAP-NSHDSACASA-N 1 0 313.323 3.652 20 70 DHIDRO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)s1 ZINC000161367637 524024670 /nfs/dbraw/zinc/02/46/70/524024670.db2.gz BYIHIYHVAWYSTF-MLGOLLRUSA-N 1 0 305.443 3.703 20 70 DHIDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000159379599 524495934 /nfs/dbraw/zinc/49/59/34/524495934.db2.gz VTNSZHZOYBKZFT-INIZCTEOSA-N 1 0 306.413 3.735 20 70 DHIDRO C[C@@H](NC1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000161505963 525402737 /nfs/dbraw/zinc/40/27/37/525402737.db2.gz QGUZXCWWADVGGG-SNVBAGLBSA-N 1 0 318.795 3.686 20 70 DHIDRO Cc1cc2cc([C@H](C)[NH2+]CCCN3CCCC3=O)oc2cc1C ZINC000159487899 525648823 /nfs/dbraw/zinc/64/88/23/525648823.db2.gz BSVKRKPCEHRERG-HNNXBMFYSA-N 1 0 314.429 3.713 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000160391871 525699483 /nfs/dbraw/zinc/69/94/83/525699483.db2.gz QWDJXHGDPSVRMD-HIFRSBDPSA-N 1 0 305.443 3.711 20 70 DHIDRO Cc1c(F)cccc1NC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000160285886 525807941 /nfs/dbraw/zinc/80/79/41/525807941.db2.gz RPYRYIVGNHWMPD-UHFFFAOYSA-N 1 0 319.424 3.663 20 70 DHIDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)s1 ZINC000160523184 525922867 /nfs/dbraw/zinc/92/28/67/525922867.db2.gz SILRQVPQGZRSNZ-STQMWFEESA-N 1 0 300.427 3.833 20 70 DHIDRO C[C@@H](Oc1ccccc1NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000160957914 525962633 /nfs/dbraw/zinc/96/26/33/525962633.db2.gz IPEALJPZODIAEO-OAHLLOKOSA-N 1 0 324.424 3.765 20 70 DHIDRO C[C@H](Oc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000160958816 525965847 /nfs/dbraw/zinc/96/58/47/525965847.db2.gz RDCZBVJKVYMXFM-RDJZCZTQSA-N 1 0 324.424 3.765 20 70 DHIDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000161454237 526050908 /nfs/dbraw/zinc/05/09/08/526050908.db2.gz VNHZYPOCMCONFG-UONOGXRCSA-N 1 0 322.880 3.680 20 70 DHIDRO c1csc(COc2ccc(OCC[NH+]3CCCCC3)cc2)n1 ZINC000161278263 526583223 /nfs/dbraw/zinc/58/32/23/526583223.db2.gz PHWXQQZVMVLGQY-UHFFFAOYSA-N 1 0 318.442 3.587 20 70 DHIDRO O=C1C[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)c2ccccc2N1 ZINC000160524427 527018467 /nfs/dbraw/zinc/01/84/67/527018467.db2.gz UHBPGWXUVNRPEG-GUYCJALGSA-N 1 0 310.372 3.529 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CCO1 ZINC000160610424 332837068 /nfs/dbraw/zinc/83/70/68/332837068.db2.gz DGEFNLMYFZROFB-CYBMUJFWSA-N 1 0 317.351 3.675 20 70 DHIDRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)CCC2 ZINC000159384213 332082142 /nfs/dbraw/zinc/08/21/42/332082142.db2.gz LXMKTZUOWCSADH-SUMWQHHRSA-N 1 0 310.507 3.860 20 70 DHIDRO CCc1nc2c(s1)[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)CCC2 ZINC000159384346 332082241 /nfs/dbraw/zinc/08/22/41/332082241.db2.gz LXMKTZUOWCSADH-DYVFJYSZSA-N 1 0 310.507 3.860 20 70 DHIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159734904 332697285 /nfs/dbraw/zinc/69/72/85/332697285.db2.gz MXJVJTKXCLKLLT-VXGBXAGGSA-N 1 0 303.368 3.948 20 70 DHIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000159921697 332730771 /nfs/dbraw/zinc/73/07/71/332730771.db2.gz JHPKZUHRHBFSNU-ZDUSSCGKSA-N 1 0 315.392 3.810 20 70 DHIDRO O=C(C[NH2+][C@@H]1CCc2cc(F)ccc21)Nc1ccc(Cl)cc1 ZINC000161098544 333807387 /nfs/dbraw/zinc/80/73/87/333807387.db2.gz CYFIJWCCQLGZJU-MRXNPFEDSA-N 1 0 318.779 3.695 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000160784752 334879535 /nfs/dbraw/zinc/87/95/35/334879535.db2.gz SPYHSRDPCAOJAH-HNNXBMFYSA-N 1 0 306.475 3.717 20 70 DHIDRO CC(C)([NH3+])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000161029877 334883666 /nfs/dbraw/zinc/88/36/66/334883666.db2.gz IVCXOVWXAYEAHU-UHFFFAOYSA-N 1 0 306.475 3.928 20 70 DHIDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000217144138 337245238 /nfs/dbraw/zinc/24/52/38/337245238.db2.gz JGTODBBIGQRGOI-LLDVTBCESA-N 1 0 320.452 3.759 20 70 DHIDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N[C@@H](c2ccccc2)C2CC2)[C@@H]1C ZINC000218741040 337341115 /nfs/dbraw/zinc/34/11/15/337341115.db2.gz GUEBSQNRPWMTDH-OHRYMORCSA-N 1 0 314.473 3.668 20 70 DHIDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000161473096 337586625 /nfs/dbraw/zinc/58/66/25/337586625.db2.gz GZLRNUUWHNJVLZ-QGZVFWFLSA-N 1 0 310.441 3.682 20 70 DHIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000161463286 337587056 /nfs/dbraw/zinc/58/70/56/337587056.db2.gz HIHAJWZZSMCUMA-YYZRRKBYSA-N 1 0 320.521 3.972 20 70 DHIDRO CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C1CCN(C)CC1 ZINC000161507959 337590247 /nfs/dbraw/zinc/59/02/47/337590247.db2.gz ZAYDKRUKQSNRIN-SFHVURJKSA-N 1 0 308.897 3.981 20 70 DHIDRO COc1ccc(OC)c([C@H](C)[NH2+]CCOc2ccccc2C)c1 ZINC000216777266 337905242 /nfs/dbraw/zinc/90/52/42/337905242.db2.gz OJSFOAXVRQNVQX-HNNXBMFYSA-N 1 0 315.413 3.742 20 70 DHIDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000159752110 338531836 /nfs/dbraw/zinc/53/18/36/338531836.db2.gz APVXIJFMRDPSNY-MRXNPFEDSA-N 1 0 305.425 3.980 20 70 DHIDRO CCC(=O)c1cccc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000160720334 338563090 /nfs/dbraw/zinc/56/30/90/338563090.db2.gz GYTYGQMOOIJQIE-UHFFFAOYSA-N 1 0 310.397 3.593 20 70 DHIDRO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000216697282 340483243 /nfs/dbraw/zinc/48/32/43/340483243.db2.gz FUQGHXAOGNKWTI-CQSZACIVSA-N 1 0 302.418 3.732 20 70 DHIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000161338231 519644423 /nfs/dbraw/zinc/64/44/23/519644423.db2.gz YTEJKYHNHBRMTM-UHFFFAOYSA-N 1 0 322.880 3.655 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(CC)cc2)c1 ZINC000160161631 519898510 /nfs/dbraw/zinc/89/85/10/519898510.db2.gz OOQXEZACCXUBKF-OAHLLOKOSA-N 1 0 310.441 3.850 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(C)c2C)c1 ZINC000160165310 519898525 /nfs/dbraw/zinc/89/85/25/519898525.db2.gz VTXPCCPDMCPQKD-MRXNPFEDSA-N 1 0 310.441 3.904 20 70 DHIDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)COCc2ccccc2)cn1 ZINC000161309913 519970951 /nfs/dbraw/zinc/97/09/51/519970951.db2.gz HHWITUUUFJFAFB-IAGOWNOFSA-N 1 0 315.461 3.968 20 70 DHIDRO CCCC[NH+]1CCC(NC(=O)c2ccc(F)c(SC)c2)CC1 ZINC000161045762 520574785 /nfs/dbraw/zinc/57/47/85/520574785.db2.gz MEYWXLKORAXYRM-UHFFFAOYSA-N 1 0 324.465 3.542 20 70 DHIDRO CC[N@H+](CCc1nccs1)Cc1ccc(OC(F)F)cc1 ZINC000159382976 521182785 /nfs/dbraw/zinc/18/27/85/521182785.db2.gz PPFNSRVANQIJDE-UHFFFAOYSA-N 1 0 312.385 3.809 20 70 DHIDRO CC[C@@H](C[NH2+][C@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442471 522552715 /nfs/dbraw/zinc/55/27/15/522552715.db2.gz YFUZDFFOGGTFFV-OCCSQVGLSA-N 1 0 307.825 3.582 20 70 DHIDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161503808 522862070 /nfs/dbraw/zinc/86/20/70/522862070.db2.gz RDDFFYVEECTIJW-RDTXWAMCSA-N 1 0 305.368 3.782 20 70 DHIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N(C)C)cc1)c1ccc(F)cc1 ZINC000160709088 522872931 /nfs/dbraw/zinc/87/29/31/522872931.db2.gz QCDVTLVUOTXNIR-GOSISDBHSA-N 1 0 314.404 3.768 20 70 DHIDRO C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCCOC1 ZINC000160096220 523215717 /nfs/dbraw/zinc/21/57/17/523215717.db2.gz WLYLMLDJNKNTMO-INIZCTEOSA-N 1 0 319.445 3.500 20 70 DHIDRO Cc1ccc(C[C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c(C)c1 ZINC000161480834 524681215 /nfs/dbraw/zinc/68/12/15/524681215.db2.gz IDCOEKGGOVCIGU-INIZCTEOSA-N 1 0 303.446 3.510 20 70 DHIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000161047513 525167608 /nfs/dbraw/zinc/16/76/08/525167608.db2.gz MREJIKVHYBVGNM-RZQQEMMASA-N 1 0 313.441 3.901 20 70 DHIDRO C[C@H](NC1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000161505838 525293557 /nfs/dbraw/zinc/29/35/57/525293557.db2.gz QGUZXCWWADVGGG-JTQLQIEISA-N 1 0 318.795 3.686 20 70 DHIDRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000159693111 525367071 /nfs/dbraw/zinc/36/70/71/525367071.db2.gz GYHSYBOPCAPTJK-LJQANCHMSA-N 1 0 310.441 3.971 20 70 DHIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CCCO)c1ccccc1)CC2 ZINC000160742506 525578498 /nfs/dbraw/zinc/57/84/98/525578498.db2.gz NNILDBJMEVDLKN-UXHICEINSA-N 1 0 311.425 3.786 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000160399059 525700204 /nfs/dbraw/zinc/70/02/04/525700204.db2.gz WLGKHJNGQQYCAS-KOLCDFICSA-N 1 0 308.274 3.758 20 70 DHIDRO C[C@H](Oc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000160958560 525966169 /nfs/dbraw/zinc/96/61/69/525966169.db2.gz RDCZBVJKVYMXFM-DOTOQJQBSA-N 1 0 324.424 3.765 20 70 DHIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576578 526304268 /nfs/dbraw/zinc/30/42/68/526304268.db2.gz RASDTMWBOFQFAO-OIISXLGYSA-N 1 0 301.430 3.574 20 70 DHIDRO Clc1ccc(CCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161466801 526941884 /nfs/dbraw/zinc/94/18/84/526941884.db2.gz PRDQJEQSKZYMRJ-UHFFFAOYSA-N 1 0 309.837 3.548 20 70 DHIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160508226 527579595 /nfs/dbraw/zinc/57/95/95/527579595.db2.gz GBPGMPLICYOROT-MRXNPFEDSA-N 1 0 313.470 3.712 20 70 DHIDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC000160168913 332768535 /nfs/dbraw/zinc/76/85/35/332768535.db2.gz XYZROWKTIOUPSX-GUYCJALGSA-N 1 0 320.864 3.924 20 70 DHIDRO CCC[C@H]([NH2+][C@H](CC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160201080 332775101 /nfs/dbraw/zinc/77/51/01/332775101.db2.gz KPBPBDGVTZYCHG-CVEARBPZSA-N 1 0 320.502 3.580 20 70 DHIDRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000160239567 332780558 /nfs/dbraw/zinc/78/05/58/332780558.db2.gz SDUPTNJEJLSQJD-GVDBMIGSSA-N 1 0 306.494 3.582 20 70 DHIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1Cl ZINC000160540036 332816557 /nfs/dbraw/zinc/81/65/57/332816557.db2.gz XHWXNRJVFNSSQP-UHFFFAOYSA-N 1 0 311.857 3.926 20 70 DHIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)C2CCCC2)C1 ZINC000159361528 332080647 /nfs/dbraw/zinc/08/06/47/332080647.db2.gz SQAONOUJPQFGCI-INIZCTEOSA-N 1 0 308.510 3.831 20 70 DHIDRO CCS[C@H]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000159382655 332082104 /nfs/dbraw/zinc/08/21/04/332082104.db2.gz TWPHDNAYHKYTEV-KBPBESRZSA-N 1 0 324.456 3.667 20 70 DHIDRO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)C[C@H](c2ccccc2)C1 ZINC000159586878 332673745 /nfs/dbraw/zinc/67/37/45/332673745.db2.gz ZYXBSYOVDFTWIN-QXAKKESOSA-N 1 0 314.473 3.561 20 70 DHIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1OC(F)F ZINC000159644663 332683251 /nfs/dbraw/zinc/68/32/51/332683251.db2.gz OGBQZQNSGDMCLF-MWLCHTKSSA-N 1 0 305.365 3.973 20 70 DHIDRO CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000159748102 332699650 /nfs/dbraw/zinc/69/96/50/332699650.db2.gz YJEFSXIVDHOKDB-BRWVUGGUSA-N 1 0 306.494 3.584 20 70 DHIDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc1OC ZINC000160015460 332746468 /nfs/dbraw/zinc/74/64/68/332746468.db2.gz JAEZGGUKRWQESS-HUUCEWRRSA-N 1 0 321.461 3.950 20 70 DHIDRO Cc1c([C@H](C)[NH2+]CCOCC(C)C)cnn1-c1ccc(F)cc1 ZINC000160691229 333477659 /nfs/dbraw/zinc/47/76/59/333477659.db2.gz MNTUFGCXMSCMKX-AWEZNQCLSA-N 1 0 319.424 3.643 20 70 DHIDRO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)C1CCCCC1 ZINC000160958308 333697314 /nfs/dbraw/zinc/69/73/14/333697314.db2.gz YGBMWXSNUYDPOB-SFHVURJKSA-N 1 0 323.502 3.680 20 70 DHIDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000160983573 333768955 /nfs/dbraw/zinc/76/89/55/333768955.db2.gz ISFJGPKMPXSDBD-OXQOHEQNSA-N 1 0 313.441 3.730 20 70 DHIDRO CC[C@@H](OC1CCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000161034526 333787592 /nfs/dbraw/zinc/78/75/92/333787592.db2.gz ZMHXRUXUAXYYNR-MRXNPFEDSA-N 1 0 324.509 3.540 20 70 DHIDRO CC(C)([NH3+])CNC(=O)c1ccccc1SCc1cccs1 ZINC000160015919 334863219 /nfs/dbraw/zinc/86/32/19/334863219.db2.gz BZNOOZKVQJMSAB-UHFFFAOYSA-N 1 0 320.483 3.508 20 70 DHIDRO CC[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218207963 337082672 /nfs/dbraw/zinc/08/26/72/337082672.db2.gz WPSSQVOHUQNHPJ-MRXNPFEDSA-N 1 0 308.853 3.639 20 70 DHIDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000216625980 337223909 /nfs/dbraw/zinc/22/39/09/337223909.db2.gz FZEGFUJAGPNTOK-GFCCVEGCSA-N 1 0 307.340 3.703 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(F)cc2)cc1F ZINC000216769438 337226605 /nfs/dbraw/zinc/22/66/05/337226605.db2.gz DYLCIKRZFTZYGR-LBPRGKRZSA-N 1 0 307.340 3.703 20 70 DHIDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCN3CCCCC3)oc21 ZINC000216763350 337226612 /nfs/dbraw/zinc/22/66/12/337226612.db2.gz XNPUZDCHBFOBAH-OAHLLOKOSA-N 1 0 316.445 3.968 20 70 DHIDRO CC(C)(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(F)c1 ZINC000161133484 518519609 /nfs/dbraw/zinc/51/96/09/518519609.db2.gz WKGBRDKVBRWONI-UHFFFAOYSA-N 1 0 320.452 3.529 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CCO1 ZINC000160582056 520523399 /nfs/dbraw/zinc/52/33/99/520523399.db2.gz CJUFWUFMUDOXBV-NSHDSACASA-N 1 0 308.472 3.919 20 70 DHIDRO CC1CC[NH+](C2CCC(NC(=O)c3ccccc3F)CC2)CC1 ZINC000161485199 520993924 /nfs/dbraw/zinc/99/39/24/520993924.db2.gz HHAJGIJQOPAJEJ-UHFFFAOYSA-N 1 0 318.436 3.599 20 70 DHIDRO CCCC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160473304 521102979 /nfs/dbraw/zinc/10/29/79/521102979.db2.gz RKKCSSJZWOBACV-DLBZAZTESA-N 1 0 316.424 3.562 20 70 DHIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000161207147 522048729 /nfs/dbraw/zinc/04/87/29/522048729.db2.gz URYXPSXMNMCCNM-QAPCUYQASA-N 1 0 302.462 3.514 20 70 DHIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(Cl)c1F ZINC000161508897 522825454 /nfs/dbraw/zinc/82/54/54/522825454.db2.gz FFRNKDHXWCWHKZ-CQSZACIVSA-N 1 0 312.816 3.532 20 70 DHIDRO C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159457140 523522343 /nfs/dbraw/zinc/52/23/43/523522343.db2.gz YWQRENCNISMIIE-BBRMVZONSA-N 1 0 320.433 3.542 20 70 DHIDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000160376825 523975061 /nfs/dbraw/zinc/97/50/61/523975061.db2.gz BFFYAFNQLAMEHB-UURKPOQGSA-N 1 0 318.505 3.536 20 70 DHIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000161066718 523999894 /nfs/dbraw/zinc/99/98/94/523999894.db2.gz UZASJHADPBKSRE-YWZLYKJASA-N 1 0 322.452 3.992 20 70 DHIDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000160917876 524052558 /nfs/dbraw/zinc/05/25/58/524052558.db2.gz PNROAUGMTFYLDM-AWEZNQCLSA-N 1 0 305.443 3.933 20 70 DHIDRO Cc1cccc(NC(=O)C2CC[NH+](CCC3CCCC3)CC2)n1 ZINC000159373909 524582644 /nfs/dbraw/zinc/58/26/44/524582644.db2.gz GVLLMFMSKJWARM-UHFFFAOYSA-N 1 0 315.461 3.621 20 70 DHIDRO Cc1cccc(NC2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000161435773 524671411 /nfs/dbraw/zinc/67/14/11/524671411.db2.gz WWQWPKGRBYFEFM-UHFFFAOYSA-N 1 0 315.505 3.747 20 70 DHIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1ccco1 ZINC000160013968 525430778 /nfs/dbraw/zinc/43/07/78/525430778.db2.gz MWTCMDLNDAILMA-GFCCVEGCSA-N 1 0 304.356 3.595 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(N2CCOC2=O)cc1 ZINC000160163579 525617847 /nfs/dbraw/zinc/61/78/47/525617847.db2.gz HTTWDEVBDPBCSY-OLZOCXBDSA-N 1 0 300.358 3.648 20 70 DHIDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccco1 ZINC000160162002 525660518 /nfs/dbraw/zinc/66/05/18/525660518.db2.gz UHXZKAZCJUKXAJ-CHWSQXEVSA-N 1 0 313.401 3.975 20 70 DHIDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000161215041 526524615 /nfs/dbraw/zinc/52/46/15/526524615.db2.gz DCOUKKXMIHQWRH-QGZVFWFLSA-N 1 0 311.429 3.745 20 70 DHIDRO Clc1ccc(CC[NH2+]C2CCN(c3ccccn3)CC2)s1 ZINC000160376166 526941904 /nfs/dbraw/zinc/94/19/04/526941904.db2.gz ZYCKTPOZAWTGHE-UHFFFAOYSA-N 1 0 321.877 3.598 20 70 DHIDRO O=C1CCCN1CCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000159528703 526973215 /nfs/dbraw/zinc/97/32/15/526973215.db2.gz ZVYAIUNVGFFYQW-KRWDZBQOSA-N 1 0 320.864 3.710 20 70 DHIDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160138451 332764432 /nfs/dbraw/zinc/76/44/32/332764432.db2.gz SKYNHTQULFLAEY-MSOLQXFVSA-N 1 0 300.446 3.661 20 70 DHIDRO O=C(NCc1cn2ccccc2n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000159492296 332190959 /nfs/dbraw/zinc/19/09/59/332190959.db2.gz AOOALGAWBTUDPT-BZUAXINKSA-N 1 0 311.429 3.557 20 70 DHIDRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1Cl ZINC000159631905 332680755 /nfs/dbraw/zinc/68/07/55/332680755.db2.gz NKSHDAPFBMUQQR-GHMZBOCLSA-N 1 0 315.866 3.903 20 70 DHIDRO CCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000159748924 332699721 /nfs/dbraw/zinc/69/97/21/332699721.db2.gz IFDPVTNYSNKUJQ-AWEZNQCLSA-N 1 0 322.880 3.509 20 70 DHIDRO NC(=O)CC1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000159782888 332705506 /nfs/dbraw/zinc/70/55/06/332705506.db2.gz YZAKDJSOGBPPDS-UHFFFAOYSA-N 1 0 314.454 3.503 20 70 DHIDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@@H]2CCOC2)cc1OC ZINC000160004500 332745062 /nfs/dbraw/zinc/74/50/62/332745062.db2.gz AZUHHHAVLZXPKY-UAGQMJEPSA-N 1 0 321.461 3.950 20 70 DHIDRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)s1 ZINC000161112810 333815432 /nfs/dbraw/zinc/81/54/32/333815432.db2.gz FRALPOSMKDDYFG-LLVKDONJSA-N 1 0 318.442 3.636 20 70 DHIDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000217644657 337318445 /nfs/dbraw/zinc/31/84/45/337318445.db2.gz DEVAXJYYFVIIGL-RWMBFGLXSA-N 1 0 317.458 3.792 20 70 DHIDRO CCCCOc1ccc(CC[NH2+][C@H](CC)[C@@H]2CCOC2)cc1 ZINC000161395666 337583958 /nfs/dbraw/zinc/58/39/58/337583958.db2.gz NMSDJWNBQJZFCN-IEBWSBKVSA-N 1 0 305.462 3.813 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CCO1 ZINC000160464177 338551395 /nfs/dbraw/zinc/55/13/95/338551395.db2.gz HFRLEZQSRBQGRH-CQSZACIVSA-N 1 0 320.433 3.996 20 70 DHIDRO CN(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)c1cccs1 ZINC000160669176 338561947 /nfs/dbraw/zinc/56/19/47/338561947.db2.gz SSEINUSRFZAHNQ-AWEZNQCLSA-N 1 0 312.841 3.933 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)c1 ZINC000160188994 519898505 /nfs/dbraw/zinc/89/85/05/519898505.db2.gz ALJBHOGYYZALRH-INIZCTEOSA-N 1 0 310.441 3.904 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2ccc(C)cc2)c1 ZINC000160161909 519898666 /nfs/dbraw/zinc/89/86/66/519898666.db2.gz JXGWFZGYYYMNIC-IBGZPJMESA-N 1 0 310.441 3.986 20 70 DHIDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)COCc2ccccc2)cn1 ZINC000161310269 519978219 /nfs/dbraw/zinc/97/82/19/519978219.db2.gz HHWITUUUFJFAFB-IRXDYDNUSA-N 1 0 315.461 3.968 20 70 DHIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000160844891 520723858 /nfs/dbraw/zinc/72/38/58/520723858.db2.gz HTFILRHTCUOQFD-QGZVFWFLSA-N 1 0 312.413 3.640 20 70 DHIDRO CC[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000160968650 521935749 /nfs/dbraw/zinc/93/57/49/521935749.db2.gz MAYJESIHVJTBNV-HOTGVXAUSA-N 1 0 302.462 3.624 20 70 DHIDRO CC[C@H](C[NH2+][C@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441591 522200805 /nfs/dbraw/zinc/20/08/05/522200805.db2.gz OEAALQICFWMSAB-CHWSQXEVSA-N 1 0 305.809 3.638 20 70 DHIDRO CC[C@@H](C[NH2+][C@@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160314730 522549443 /nfs/dbraw/zinc/54/94/43/522549443.db2.gz SOXXLRZRNSELAI-WFASDCNBSA-N 1 0 317.408 3.741 20 70 DHIDRO CC[C@H]([NH2+]CCCS(=O)(=O)C(C)C)c1ccc(Cl)cc1 ZINC000160652705 522585782 /nfs/dbraw/zinc/58/57/82/522585782.db2.gz WMNGKKKYQUQVOT-HNNXBMFYSA-N 1 0 317.882 3.594 20 70 DHIDRO CC[C@@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000159730231 522692979 /nfs/dbraw/zinc/69/29/79/522692979.db2.gz NMDIPVPWPVDVNU-SJKOYZFVSA-N 1 0 324.415 3.558 20 70 DHIDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)c2cccc(Br)c21 ZINC000161499842 525263814 /nfs/dbraw/zinc/26/38/14/525263814.db2.gz DZNKZXHQOAGDTP-IAQYHMDHSA-N 1 0 323.278 3.681 20 70 DHIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(SCC(F)F)cc1 ZINC000161421449 525292940 /nfs/dbraw/zinc/29/29/40/525292940.db2.gz CCBLMIYKXAOSTN-LBPRGKRZSA-N 1 0 314.445 3.789 20 70 DHIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000159370080 525358799 /nfs/dbraw/zinc/35/87/99/525358799.db2.gz BUPBHINIEBFBLJ-CQSZACIVSA-N 1 0 302.443 3.527 20 70 DHIDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cncs1 ZINC000160481178 525526375 /nfs/dbraw/zinc/52/63/75/525526375.db2.gz IPMNPLWZEQQYFX-CQSZACIVSA-N 1 0 316.474 3.625 20 70 DHIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159538599 525559101 /nfs/dbraw/zinc/55/91/01/525559101.db2.gz OIBIHICOJYICEI-BLLLJJGKSA-N 1 0 319.474 3.517 20 70 DHIDRO C[C@H](Oc1ccccc1NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000160957817 525966739 /nfs/dbraw/zinc/96/67/39/525966739.db2.gz IPEALJPZODIAEO-HNNXBMFYSA-N 1 0 324.424 3.765 20 70 DHIDRO Cc1cc(C(=O)NC2CC[NH+](CCC3CCCC3)CC2)c(C)o1 ZINC000160384667 526264571 /nfs/dbraw/zinc/26/45/71/526264571.db2.gz BIMYNCYKFYDFTQ-UHFFFAOYSA-N 1 0 318.461 3.671 20 70 DHIDRO O[C@H]1CCCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576446 526304481 /nfs/dbraw/zinc/30/44/81/526304481.db2.gz RASDTMWBOFQFAO-XIRDDKMYSA-N 1 0 301.430 3.574 20 70 DHIDRO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000160461970 526716470 /nfs/dbraw/zinc/71/64/70/526716470.db2.gz HIXYJHKJAZMMAU-AWEZNQCLSA-N 1 0 316.426 3.826 20 70 DHIDRO CCCCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160334311 332785598 /nfs/dbraw/zinc/78/55/98/332785598.db2.gz DIHSDPTVNQILME-RDTXWAMCSA-N 1 0 312.461 3.595 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417699 332100428 /nfs/dbraw/zinc/10/04/28/332100428.db2.gz CJSHBBMVCYFZBL-KBXCAEBGSA-N 1 0 309.450 3.542 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417960 332100477 /nfs/dbraw/zinc/10/04/77/332100477.db2.gz CJSHBBMVCYFZBL-RDTXWAMCSA-N 1 0 309.450 3.542 20 70 DHIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000159401515 332614710 /nfs/dbraw/zinc/61/47/10/332614710.db2.gz CTVQRJWFOCCSPS-APWZRJJASA-N 1 0 315.461 3.710 20 70 DHIDRO CC[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160778173 333368346 /nfs/dbraw/zinc/36/83/46/333368346.db2.gz NGZPOGQHACMZPV-XMSQKQJNSA-N 1 0 317.454 3.544 20 70 DHIDRO CC(C)c1noc(CCC[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000160778687 333368417 /nfs/dbraw/zinc/36/84/17/333368417.db2.gz NWFHBKGYQHCBHF-AWEZNQCLSA-N 1 0 317.458 3.952 20 70 DHIDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161069629 333792779 /nfs/dbraw/zinc/79/27/79/333792779.db2.gz HFTOEJDJKPRBNA-KRWDZBQOSA-N 1 0 312.457 3.811 20 70 DHIDRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000218213505 337082651 /nfs/dbraw/zinc/08/26/51/337082651.db2.gz VVWFWKMFWYQBIB-CZUORRHYSA-N 1 0 308.853 3.639 20 70 DHIDRO CC[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC000218213699 337082697 /nfs/dbraw/zinc/08/26/97/337082697.db2.gz VVWFWKMFWYQBIB-BBRMVZONSA-N 1 0 308.853 3.639 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000161212263 337571168 /nfs/dbraw/zinc/57/11/68/337571168.db2.gz BHLMTUSPCABAFG-MRXNPFEDSA-N 1 0 314.429 3.676 20 70 DHIDRO C[NH+](C)CC1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000161248830 337576089 /nfs/dbraw/zinc/57/60/89/337576089.db2.gz MVKKRYMGMCIEID-CGZBRXJRSA-N 1 0 308.510 3.830 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1Cl ZINC000161462628 337587031 /nfs/dbraw/zinc/58/70/31/337587031.db2.gz MJWBYFPQKHBVMZ-CZUORRHYSA-N 1 0 319.832 3.775 20 70 DHIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000159536414 338527934 /nfs/dbraw/zinc/52/79/34/338527934.db2.gz SSZDRXAGOYHDGH-CABCVRRESA-N 1 0 320.502 3.541 20 70 DHIDRO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000159572560 338528474 /nfs/dbraw/zinc/52/84/74/338528474.db2.gz FAGKAKALJLZVHE-LJQANCHMSA-N 1 0 308.425 3.769 20 70 DHIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160494009 338552126 /nfs/dbraw/zinc/55/21/26/338552126.db2.gz TVUUIBBXYMQWGJ-INIZCTEOSA-N 1 0 313.445 3.536 20 70 DHIDRO COc1cc(C[NH2+][C@H]2CCCc3sccc32)cc2c1OCO2 ZINC000160975567 338573643 /nfs/dbraw/zinc/57/36/43/338573643.db2.gz WCCLQANBXRQFEW-ZDUSSCGKSA-N 1 0 317.410 3.653 20 70 DHIDRO CC(=O)NC1CCC([NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000161386936 519645722 /nfs/dbraw/zinc/64/57/22/519645722.db2.gz NJAGBGVKGMEBLI-ABHNRTSZSA-N 1 0 320.452 3.950 20 70 DHIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000161464558 519645730 /nfs/dbraw/zinc/64/57/30/519645730.db2.gz AAXMRNRCULVEPE-LADRWXRNSA-N 1 0 314.473 3.836 20 70 DHIDRO CC(=O)NC1CCC([NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)CC1 ZINC000161387063 519646050 /nfs/dbraw/zinc/64/60/50/519646050.db2.gz NJAGBGVKGMEBLI-DAWZGUTISA-N 1 0 320.452 3.950 20 70 DHIDRO CC(C)[C@@H]([NH2+][C@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022833 519799611 /nfs/dbraw/zinc/79/96/11/519799611.db2.gz IPRODEGHEMIJAC-SJKOYZFVSA-N 1 0 318.442 3.962 20 70 DHIDRO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000160281068 519839702 /nfs/dbraw/zinc/83/97/02/519839702.db2.gz SXRYOIHLOZCINH-IAGOWNOFSA-N 1 0 316.489 3.714 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)c1 ZINC000160589452 519903044 /nfs/dbraw/zinc/90/30/44/519903044.db2.gz AMTZKTMUXCUQRX-FOIQADDNSA-N 1 0 322.452 3.850 20 70 DHIDRO CCCO[C@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000159563629 520284295 /nfs/dbraw/zinc/28/42/95/520284295.db2.gz IGBQTCWJTJPUDS-SFHVURJKSA-N 1 0 303.446 3.849 20 70 DHIDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2cnn(CC)c2)c1 ZINC000160814261 520902734 /nfs/dbraw/zinc/90/27/34/520902734.db2.gz BOWCTMACAKLEJT-HNNXBMFYSA-N 1 0 301.434 3.933 20 70 DHIDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000159402190 521374537 /nfs/dbraw/zinc/37/45/37/521374537.db2.gz RNNQZOBSQWJBPZ-PEBXRYMYSA-N 1 0 317.454 3.674 20 70 DHIDRO CCOc1ccccc1[C@@H](CC)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161392444 521576319 /nfs/dbraw/zinc/57/63/19/521576319.db2.gz XCHMDBLLHJCEJZ-QGZVFWFLSA-N 1 0 319.445 3.812 20 70 DHIDRO CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000160968411 521819376 /nfs/dbraw/zinc/81/93/76/521819376.db2.gz MAYJESIHVJTBNV-JKSUJKDBSA-N 1 0 302.462 3.624 20 70 DHIDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2cc(OC)cc(OC)c2)CC1 ZINC000160965462 522296878 /nfs/dbraw/zinc/29/68/78/522296878.db2.gz DNAZOIUWDDSDAL-HUUCEWRRSA-N 1 0 320.477 3.697 20 70 DHIDRO CCc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)s1 ZINC000161367495 524046113 /nfs/dbraw/zinc/04/61/13/524046113.db2.gz BYIHIYHVAWYSTF-LRDDRELGSA-N 1 0 305.443 3.703 20 70 DHIDRO C[C@@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000159642846 524157349 /nfs/dbraw/zinc/15/73/49/524157349.db2.gz XUDRYBMJGRVAPB-DYVFJYSZSA-N 1 0 314.404 3.513 20 70 DHIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000159512844 524381069 /nfs/dbraw/zinc/38/10/69/524381069.db2.gz SLFWIGWYYIMQNB-QGZVFWFLSA-N 1 0 320.440 3.777 20 70 DHIDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)s1 ZINC000160902555 524589664 /nfs/dbraw/zinc/58/96/64/524589664.db2.gz KMTGYEISTVLDOU-JTQLQIEISA-N 1 0 323.849 3.612 20 70 DHIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2c(F)cccc2F)n1 ZINC000160410795 524851450 /nfs/dbraw/zinc/85/14/50/524851450.db2.gz DQBSLLLGJKTBHZ-IRXDYDNUSA-N 1 0 318.367 3.539 20 70 DHIDRO Cc1ccc(NC(=O)[C@H](C)c2cccs2)c(C[NH+](C)C)c1 ZINC000160326267 525216215 /nfs/dbraw/zinc/21/62/15/525216215.db2.gz OYFJSYJIRMGAGU-CYBMUJFWSA-N 1 0 302.443 3.860 20 70 DHIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc(-n2cncn2)cc1 ZINC000159814391 525443757 /nfs/dbraw/zinc/44/37/57/525443757.db2.gz HFLGBCFMGWGRTF-OAHLLOKOSA-N 1 0 324.403 3.690 20 70 DHIDRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000161043678 525466865 /nfs/dbraw/zinc/46/68/65/525466865.db2.gz NOCVRYNRLXZNRF-FZKQIMNGSA-N 1 0 312.388 3.508 20 70 DHIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000161478264 525493253 /nfs/dbraw/zinc/49/32/53/525493253.db2.gz HVUWTVKTQNCIBA-CZUORRHYSA-N 1 0 321.367 3.715 20 70 DHIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CCCO)c1ccccc1)CC2 ZINC000160742096 525591887 /nfs/dbraw/zinc/59/18/87/525591887.db2.gz NNILDBJMEVDLKN-VQTJNVASSA-N 1 0 311.425 3.786 20 70 DHIDRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000160701474 525666711 /nfs/dbraw/zinc/66/67/11/525666711.db2.gz ZPVUNJPEBYMEPA-GDBMZVCRSA-N 1 0 314.454 3.762 20 70 DHIDRO c1ccc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)C2CCC2)cc1 ZINC000161026720 526490573 /nfs/dbraw/zinc/49/05/73/526490573.db2.gz IKIHYUQTOYHGLM-GOSISDBHSA-N 1 0 301.430 3.803 20 70 DHIDRO O=C1CCCN1C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000160683012 526975870 /nfs/dbraw/zinc/97/58/70/526975870.db2.gz MYOOZXLQRAVRHN-WOJBJXKFSA-N 1 0 320.436 3.627 20 70 DHIDRO OC[C@@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161405266 527580414 /nfs/dbraw/zinc/58/04/14/527580414.db2.gz ANHOXIBGXJMGCP-PBHICJAKSA-N 1 0 317.429 3.728 20 70 DHIDRO CCCCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000160565138 332825134 /nfs/dbraw/zinc/82/51/34/332825134.db2.gz HQWZDFDZVRVNPW-MRXNPFEDSA-N 1 0 321.461 3.921 20 70 DHIDRO CCCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OCC ZINC000160565807 332826451 /nfs/dbraw/zinc/82/64/51/332826451.db2.gz JUDXEXBJPCIORA-INIZCTEOSA-N 1 0 321.461 3.921 20 70 DHIDRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)CCC2 ZINC000159384473 332082060 /nfs/dbraw/zinc/08/20/60/332082060.db2.gz LXMKTZUOWCSADH-GUYCJALGSA-N 1 0 310.507 3.860 20 70 DHIDRO Cc1csc(Nc2ccc(NC(=O)CC[NH2+]C(C)C)cc2)n1 ZINC000159420969 332101066 /nfs/dbraw/zinc/10/10/66/332101066.db2.gz DSRQJWFAZBQZHD-UHFFFAOYSA-N 1 0 318.446 3.522 20 70 DHIDRO CCSc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000159544118 332656845 /nfs/dbraw/zinc/65/68/45/332656845.db2.gz BEYDLJBYVGYWEB-HOCLYGCPSA-N 1 0 309.475 3.645 20 70 DHIDRO C[C@H](CO)[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159802567 332707424 /nfs/dbraw/zinc/70/74/24/332707424.db2.gz XBEZOCQWVQHFPR-LLVKDONJSA-N 1 0 309.768 3.742 20 70 DHIDRO C[C@@H](CO)[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159850354 332715608 /nfs/dbraw/zinc/71/56/08/332715608.db2.gz XBEZOCQWVQHFPR-NSHDSACASA-N 1 0 309.768 3.742 20 70 DHIDRO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)C(C)(C)c1ccccc1 ZINC000160774004 333656518 /nfs/dbraw/zinc/65/65/18/333656518.db2.gz CBIHNBDMRLUCJI-OPAMFIHVSA-N 1 0 315.482 3.750 20 70 DHIDRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)cc1F ZINC000161024646 333782130 /nfs/dbraw/zinc/78/21/30/333782130.db2.gz HZWALBQZFMXVGS-DYVFJYSZSA-N 1 0 324.415 3.653 20 70 DHIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)Cc1cccs1 ZINC000216829645 336386788 /nfs/dbraw/zinc/38/67/88/336386788.db2.gz DPPOCVGWVLHHJF-HUUCEWRRSA-N 1 0 308.491 3.750 20 70 DHIDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045264 337324507 /nfs/dbraw/zinc/32/45/07/337324507.db2.gz MNSRHCNYZHCIKU-BEFAXECRSA-N 1 0 314.473 3.907 20 70 DHIDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045525 337324553 /nfs/dbraw/zinc/32/45/53/337324553.db2.gz MNSRHCNYZHCIKU-HNAYVOBHSA-N 1 0 314.473 3.907 20 70 DHIDRO Cc1cc(C)c(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161349950 337582415 /nfs/dbraw/zinc/58/24/15/337582415.db2.gz WGXOFJBYNOMJNJ-INIZCTEOSA-N 1 0 315.379 3.747 20 70 DHIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cn1 ZINC000160081534 519779865 /nfs/dbraw/zinc/77/98/65/519779865.db2.gz FWDUUPBBAYJIGI-QGZVFWFLSA-N 1 0 312.413 3.872 20 70 DHIDRO CC1(C)CC(NC(=O)c2cccc(Cl)c2F)CC(C)(C)[NH2+]1 ZINC000159583460 520284267 /nfs/dbraw/zinc/28/42/67/520284267.db2.gz FTFQRHRABFDQJB-UHFFFAOYSA-N 1 0 312.816 3.518 20 70 DHIDRO CCCCOc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000160835474 520903568 /nfs/dbraw/zinc/90/35/68/520903568.db2.gz VYEPOXRISOCIPY-GOSISDBHSA-N 1 0 313.445 3.766 20 70 DHIDRO CCCCOc1cccc(C[NH2+][C@H](CC)c2cnn(C)c2)c1 ZINC000160815164 520903776 /nfs/dbraw/zinc/90/37/76/520903776.db2.gz LUOIZFVTBAOFGP-GOSISDBHSA-N 1 0 301.434 3.840 20 70 DHIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000161066610 522220510 /nfs/dbraw/zinc/22/05/10/522220510.db2.gz UZASJHADPBKSRE-QRWLVFNGSA-N 1 0 322.452 3.992 20 70 DHIDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccccc1OC ZINC000160820977 522831681 /nfs/dbraw/zinc/83/16/81/522831681.db2.gz NNSQEIFPVHDPAP-OAHLLOKOSA-N 1 0 317.433 3.875 20 70 DHIDRO CC[C@H](C(=O)Nc1cccc(CSC(C)C)c1C)[NH+](C)C ZINC000160429071 523802455 /nfs/dbraw/zinc/80/24/55/523802455.db2.gz AXDOSNBNGZWLKI-MRXNPFEDSA-N 1 0 308.491 3.915 20 70 DHIDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1OC ZINC000160183600 524051579 /nfs/dbraw/zinc/05/15/79/524051579.db2.gz FOGHIYWZKJPTMC-ZIAGYGMSSA-N 1 0 319.401 3.725 20 70 DHIDRO Cc1cccc(Cl)c1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000160755313 524484021 /nfs/dbraw/zinc/48/40/21/524484021.db2.gz LHVNLKPRJPLHTJ-UHFFFAOYSA-N 1 0 319.836 3.517 20 70 DHIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2c(F)cccc2F)n1 ZINC000160410938 524895320 /nfs/dbraw/zinc/89/53/20/524895320.db2.gz DQBSLLLGJKTBHZ-SJORKVTESA-N 1 0 318.367 3.539 20 70 DHIDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCSC2)c(C)c1 ZINC000159569178 525090883 /nfs/dbraw/zinc/09/08/83/525090883.db2.gz CDYIVCDHKGOALY-GJZGRUSLSA-N 1 0 306.475 3.506 20 70 DHIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)cc(Cl)c1 ZINC000159571183 525335121 /nfs/dbraw/zinc/33/51/21/525335121.db2.gz FYVYDDAVUJNIOB-NSHDSACASA-N 1 0 315.244 3.657 20 70 DHIDRO Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161409176 525358330 /nfs/dbraw/zinc/35/83/30/525358330.db2.gz LFGZXFWHEYABNT-MRXNPFEDSA-N 1 0 316.489 3.930 20 70 DHIDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)C(C)(C)c1ccccc1 ZINC000161417686 525400173 /nfs/dbraw/zinc/40/01/73/525400173.db2.gz MQGKMKSSHHAWOL-OAHLLOKOSA-N 1 0 303.446 3.628 20 70 DHIDRO C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cncs1 ZINC000160528709 525444353 /nfs/dbraw/zinc/44/43/53/525444353.db2.gz DAUVTNRQTOQRRL-AWEZNQCLSA-N 1 0 316.474 3.769 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000160163719 525609393 /nfs/dbraw/zinc/60/93/93/525609393.db2.gz HTTWDEVBDPBCSY-QWHCGFSZSA-N 1 0 300.358 3.648 20 70 DHIDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000160163843 525660738 /nfs/dbraw/zinc/66/07/38/525660738.db2.gz HTTWDEVBDPBCSY-CHWSQXEVSA-N 1 0 300.358 3.648 20 70 DHIDRO Cc1ccc([C@@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)o1 ZINC000160037445 525724994 /nfs/dbraw/zinc/72/49/94/525724994.db2.gz HDZGYKPDJDMWQG-CYBMUJFWSA-N 1 0 318.383 3.903 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccco3)CC2)cc1 ZINC000161010351 526084106 /nfs/dbraw/zinc/08/41/06/526084106.db2.gz FEUSZMZXRJIHTP-OAHLLOKOSA-N 1 0 312.413 3.543 20 70 DHIDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000161173286 526209521 /nfs/dbraw/zinc/20/95/21/526209521.db2.gz BTJZSESADODSKH-GOSISDBHSA-N 1 0 324.472 3.523 20 70 DHIDRO Cc1ccc(C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161425393 526245078 /nfs/dbraw/zinc/24/50/78/526245078.db2.gz QUDSGFWSLYNAMS-UHFFFAOYSA-N 1 0 303.446 3.548 20 70 DHIDRO O[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576317 526304115 /nfs/dbraw/zinc/30/41/15/526304115.db2.gz RASDTMWBOFQFAO-UAGQMJEPSA-N 1 0 301.430 3.574 20 70 DHIDRO O=C1C[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)c2ccccc2N1 ZINC000160540523 527027246 /nfs/dbraw/zinc/02/72/46/527027246.db2.gz QJSOUEIHWSTRRU-XLIONFOSSA-N 1 0 320.436 3.723 20 70 DHIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160544228 527195435 /nfs/dbraw/zinc/19/54/35/527195435.db2.gz LGGJNSKZRUNYHB-CJNGLKHVSA-N 1 0 322.412 3.512 20 70 DHIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160353963 527199046 /nfs/dbraw/zinc/19/90/46/527199046.db2.gz KWHNCCJMDDUSDH-CZUORRHYSA-N 1 0 324.428 3.615 20 70 DHIDRO OC[C@H](C[NH2+][C@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161405151 527608472 /nfs/dbraw/zinc/60/84/72/527608472.db2.gz ANHOXIBGXJMGCP-YOEHRIQHSA-N 1 0 317.429 3.728 20 70 DHIDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC000160168784 332768490 /nfs/dbraw/zinc/76/84/90/332768490.db2.gz XYZROWKTIOUPSX-CXAGYDPISA-N 1 0 320.864 3.924 20 70 DHIDRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000160240632 332780827 /nfs/dbraw/zinc/78/08/27/332780827.db2.gz YFUWPWLLUHFOSX-AWEZNQCLSA-N 1 0 322.880 3.508 20 70 DHIDRO Cc1ncc([C@H](C)[NH2+]CCOc2ccc(C(C)C)cc2)c(C)n1 ZINC000160331291 332784389 /nfs/dbraw/zinc/78/43/89/332784389.db2.gz XBTXTZSBEIJAQB-AWEZNQCLSA-N 1 0 313.445 3.946 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000160576324 332829978 /nfs/dbraw/zinc/82/99/78/332829978.db2.gz WZUFLTYVZKBTJH-ZDUSSCGKSA-N 1 0 317.351 3.675 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]CCCOc2ccccc2)cc1F ZINC000216768343 332200670 /nfs/dbraw/zinc/20/06/70/332200670.db2.gz XTACJURLUGPMET-AWEZNQCLSA-N 1 0 303.377 3.954 20 70 DHIDRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCSC2)cc1Cl ZINC000159631818 332680764 /nfs/dbraw/zinc/68/07/64/332680764.db2.gz NKSHDAPFBMUQQR-WDEREUQCSA-N 1 0 315.866 3.903 20 70 DHIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1OC(F)F ZINC000159644815 332683184 /nfs/dbraw/zinc/68/31/84/332683184.db2.gz OGBQZQNSGDMCLF-ONGXEEELSA-N 1 0 305.365 3.973 20 70 DHIDRO CC(C)(C)[NH+]1CCC(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000159715825 332693857 /nfs/dbraw/zinc/69/38/57/332693857.db2.gz MHHVHCYKXXTTAZ-HNNXBMFYSA-N 1 0 308.510 3.972 20 70 DHIDRO COc1ccc(OC)c([C@H](C)[NH2+]CCOc2cccc(C)c2)c1 ZINC000216777488 333183607 /nfs/dbraw/zinc/18/36/07/333183607.db2.gz QEJHZUQWOCYOSJ-HNNXBMFYSA-N 1 0 315.413 3.742 20 70 DHIDRO CC[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160777897 333368321 /nfs/dbraw/zinc/36/83/21/333368321.db2.gz NGZPOGQHACMZPV-GCJKJVERSA-N 1 0 317.454 3.544 20 70 DHIDRO C[C@H](c1cccs1)N(C)Cc1nnc(-c2ccccc2)n1C ZINC000160800322 333368654 /nfs/dbraw/zinc/36/86/54/333368654.db2.gz UYXVEBPEODTVMY-CYBMUJFWSA-N 1 0 312.442 3.737 20 70 DHIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCOCC(C)C)cc1 ZINC000160698826 333476930 /nfs/dbraw/zinc/47/69/30/333476930.db2.gz JBKJURFUAIUMPH-HNNXBMFYSA-N 1 0 301.434 3.504 20 70 DHIDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)C2CCOCC2)ccn1 ZINC000160839411 333668827 /nfs/dbraw/zinc/66/88/27/333668827.db2.gz ZQYOWOUWTBZGIZ-HZPDHXFCSA-N 1 0 320.477 3.800 20 70 DHIDRO CC(C)[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000217141730 337245178 /nfs/dbraw/zinc/24/51/78/337245178.db2.gz NSSJIISJHCOJBF-WDYCEAGBSA-N 1 0 302.462 3.668 20 70 DHIDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046361 337324576 /nfs/dbraw/zinc/32/45/76/337324576.db2.gz CKQGLAWIBAQGCH-KXBFYZLASA-N 1 0 314.473 3.812 20 70 DHIDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc2ccccc21 ZINC000218169837 337325394 /nfs/dbraw/zinc/32/53/94/337325394.db2.gz ISRMAWMWQGPTCH-AEFFLSMTSA-N 1 0 321.420 3.930 20 70 DHIDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)sc2cccc(F)c12 ZINC000159703572 338530736 /nfs/dbraw/zinc/53/07/36/338530736.db2.gz IJBPRWRUPNUZAI-UHFFFAOYSA-N 1 0 320.433 3.740 20 70 DHIDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000160112038 338542767 /nfs/dbraw/zinc/54/27/67/338542767.db2.gz PIBTVFRMRRWHPE-GFCCVEGCSA-N 1 0 310.507 3.952 20 70 DHIDRO Cc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1Cl ZINC000160402289 338549797 /nfs/dbraw/zinc/54/97/97/338549797.db2.gz JUYKLIPZBDEARZ-UHFFFAOYSA-N 1 0 308.853 3.691 20 70 DHIDRO CC(=O)Nc1ccccc1C[NH2+]CCc1c[nH]c2cccc(C)c12 ZINC000160396212 519750594 /nfs/dbraw/zinc/75/05/94/519750594.db2.gz SCWKJGUHBHVMHR-UHFFFAOYSA-N 1 0 321.424 3.767 20 70 DHIDRO CC(C)c1ccc([C@H]([NH2+]C2CCN(C(N)=O)CC2)C(C)C)cc1 ZINC000160412729 519840111 /nfs/dbraw/zinc/84/01/11/519840111.db2.gz VAWLUSLGUHHGFB-GOSISDBHSA-N 1 0 317.477 3.640 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000160509687 520523814 /nfs/dbraw/zinc/52/38/14/520523814.db2.gz RGAFQUPGIFDWRH-LBPRGKRZSA-N 1 0 303.324 3.632 20 70 DHIDRO CCCCOc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000160445666 520848169 /nfs/dbraw/zinc/84/81/69/520848169.db2.gz RWWFXRUCBIRQGX-MRXNPFEDSA-N 1 0 321.461 3.921 20 70 DHIDRO CC1CC[NH+](C2CCC(NC(=O)c3cccs3)CC2)CC1 ZINC000161486535 520995259 /nfs/dbraw/zinc/99/52/59/520995259.db2.gz OZSOFXVXQCIJOB-UHFFFAOYSA-N 1 0 306.475 3.521 20 70 DHIDRO CC[C@H](NC(=O)CCCCCC[NH3+])C(C)(C)c1ccccc1 ZINC000160760583 522369954 /nfs/dbraw/zinc/36/99/54/522369954.db2.gz WGDOXNKDEDJDCJ-KRWDZBQOSA-N 1 0 304.478 3.768 20 70 DHIDRO CC[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330243 522549631 /nfs/dbraw/zinc/54/96/31/522549631.db2.gz GJOUJLJPPARCIV-WFASDCNBSA-N 1 0 306.356 3.868 20 70 DHIDRO CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(F)cc1 ZINC000161214360 522585285 /nfs/dbraw/zinc/58/52/85/522585285.db2.gz SLICAFAMUGZTKD-INIZCTEOSA-N 1 0 318.392 3.588 20 70 DHIDRO CC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1 ZINC000161144010 522589455 /nfs/dbraw/zinc/58/94/55/522589455.db2.gz IQJOWQXKTOYSEH-KRWDZBQOSA-N 1 0 312.461 3.678 20 70 DHIDRO C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159457268 523522972 /nfs/dbraw/zinc/52/29/72/523522972.db2.gz YWQRENCNISMIIE-CJNGLKHVSA-N 1 0 320.433 3.542 20 70 DHIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000159491242 524380627 /nfs/dbraw/zinc/38/06/27/524380627.db2.gz RJIITRKYYHHXFU-AOMKIAJQSA-N 1 0 315.482 3.934 20 70 DHIDRO C[C@H](NC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000159382574 525298775 /nfs/dbraw/zinc/29/87/75/525298775.db2.gz LKZJJEMIASCDMD-YQMJFVBQSA-N 1 0 323.484 3.889 20 70 DHIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cccnc1Cl ZINC000160119177 525445688 /nfs/dbraw/zinc/44/56/88/525445688.db2.gz QOSACLLVZWVHMM-CYBMUJFWSA-N 1 0 321.827 3.657 20 70 DHIDRO Cc1ccc([C@H](C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000159657972 525877919 /nfs/dbraw/zinc/87/79/19/525877919.db2.gz AGGNQYZQKVVUSQ-GJYPPUQNSA-N 1 0 310.441 3.551 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000161010868 526083923 /nfs/dbraw/zinc/08/39/23/526083923.db2.gz DXTPGYFXUUEAAG-LPHOPBHVSA-N 1 0 314.473 3.768 20 70 DHIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160508344 527577590 /nfs/dbraw/zinc/57/75/90/527577590.db2.gz GBPGMPLICYOROT-INIZCTEOSA-N 1 0 313.470 3.712 20 70 DHIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccc(Cl)c1 ZINC000160135232 332763987 /nfs/dbraw/zinc/76/39/87/332763987.db2.gz FAJMCEGYMHQPCO-DYVFJYSZSA-N 1 0 320.864 3.924 20 70 DHIDRO CCC[C@H]([NH2+][C@@H](CC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160200850 332775130 /nfs/dbraw/zinc/77/51/30/332775130.db2.gz KPBPBDGVTZYCHG-HOTGVXAUSA-N 1 0 320.502 3.580 20 70 DHIDRO C[C@@H]([NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000160256307 332781836 /nfs/dbraw/zinc/78/18/36/332781836.db2.gz WLUFSAIVJTYVMF-OLZOCXBDSA-N 1 0 315.379 3.998 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)CCO1 ZINC000160459674 332799917 /nfs/dbraw/zinc/79/99/17/332799917.db2.gz LZTIZNMHBDELKJ-NSHDSACASA-N 1 0 308.472 3.919 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417828 332100286 /nfs/dbraw/zinc/10/02/86/332100286.db2.gz CJSHBBMVCYFZBL-KDOFPFPSSA-N 1 0 309.450 3.542 20 70 DHIDRO CC[N@H+](CCOc1cccc(Cl)c1)CCc1nccs1 ZINC000159439420 332123780 /nfs/dbraw/zinc/12/37/80/332123780.db2.gz CVXXJSCOGOAPHH-UHFFFAOYSA-N 1 0 310.850 3.740 20 70 DHIDRO Cc1ccc(C(C)(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000159638463 332681629 /nfs/dbraw/zinc/68/16/29/332681629.db2.gz UMPCZKRGTPZWCE-UHFFFAOYSA-N 1 0 324.468 3.651 20 70 DHIDRO C[C@@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159781092 332703913 /nfs/dbraw/zinc/70/39/13/332703913.db2.gz NYRAQOOBFOMBIN-LLVKDONJSA-N 1 0 309.768 3.742 20 70 DHIDRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000159814923 332708776 /nfs/dbraw/zinc/70/87/76/332708776.db2.gz QQDASJBMBWQRDE-FOIQADDNSA-N 1 0 318.424 3.996 20 70 DHIDRO CC[C@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)[NH+](C)C ZINC000160055996 332753008 /nfs/dbraw/zinc/75/30/08/332753008.db2.gz MKVCWCSUSYBUJD-LJQANCHMSA-N 1 0 310.441 3.652 20 70 DHIDRO Cc1cccc([C@H]2CCCCCN2C(=O)CC[NH2+]C(C)C)c1 ZINC000160984055 333769151 /nfs/dbraw/zinc/76/91/51/333769151.db2.gz BTUSSYGCOLQGOY-GOSISDBHSA-N 1 0 302.462 3.827 20 70 DHIDRO C[C@H](CCc1ccc(F)cc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161100393 333807811 /nfs/dbraw/zinc/80/78/11/333807811.db2.gz FUONJCAAMVPEBX-DNVCBOLYSA-N 1 0 301.405 3.860 20 70 DHIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000161131387 333818273 /nfs/dbraw/zinc/81/82/73/333818273.db2.gz AJYMKHYAXVZWRV-CABCVRRESA-N 1 0 302.462 3.883 20 70 DHIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000161138803 333819038 /nfs/dbraw/zinc/81/90/38/333819038.db2.gz HIPUDGDFDXMUFO-KDOFPFPSSA-N 1 0 302.462 3.739 20 70 DHIDRO C[C@@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000216662668 336280324 /nfs/dbraw/zinc/28/03/24/336280324.db2.gz CMRCIPBXEBQTRT-MELADBBJSA-N 1 0 308.853 3.780 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]CCc2cc(OC)ccc2OC)cc1 ZINC000161435246 337584648 /nfs/dbraw/zinc/58/46/48/337584648.db2.gz AFIPQIOJOQFJPW-AWEZNQCLSA-N 1 0 315.413 3.606 20 70 DHIDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000217855147 340490566 /nfs/dbraw/zinc/49/05/66/340490566.db2.gz TVQBVHUBFOMTHP-INIZCTEOSA-N 1 0 307.484 3.619 20 70 DHIDRO CC(=O)NC1CCC([NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000161464678 519645832 /nfs/dbraw/zinc/64/58/32/519645832.db2.gz AAXMRNRCULVEPE-RJYAGPCLSA-N 1 0 314.473 3.836 20 70 DHIDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccccc2C)c1 ZINC000159453826 519745929 /nfs/dbraw/zinc/74/59/29/519745929.db2.gz GUFNZTXVJVSEHZ-OAHLLOKOSA-N 1 0 312.413 3.683 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000160175947 519898737 /nfs/dbraw/zinc/89/87/37/519898737.db2.gz JIYZCWDAVXTBQC-INIZCTEOSA-N 1 0 310.441 3.904 20 70 DHIDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)CCO1 ZINC000159937573 520557817 /nfs/dbraw/zinc/55/78/17/520557817.db2.gz VCABPTBJDRIZJM-UKRRQHHQSA-N 1 0 324.262 3.984 20 70 DHIDRO CCOc1cc(Cl)ccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161503125 520738215 /nfs/dbraw/zinc/73/82/15/520738215.db2.gz NFNKIKIGULBACB-QXMXGUDHSA-N 1 0 322.836 3.598 20 70 DHIDRO CC[N@H+](CCC(=O)c1ccc(C)cc1)CCc1nccs1 ZINC000161018915 520994337 /nfs/dbraw/zinc/99/43/37/520994337.db2.gz RGIJSXPYHKDXIO-UHFFFAOYSA-N 1 0 302.443 3.589 20 70 DHIDRO CCC[N@H+](CCO)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000160834689 521667214 /nfs/dbraw/zinc/66/72/14/521667214.db2.gz UIUKAAYQPCQJEZ-UHFFFAOYSA-N 1 0 308.809 3.508 20 70 DHIDRO COc1ccc(CC[C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159938178 523983364 /nfs/dbraw/zinc/98/33/64/523983364.db2.gz NAZONGSCHCAJGW-KSSFIOAISA-N 1 0 319.470 3.575 20 70 DHIDRO C[C@H]1C[C@@H]([NH2+]C2CCN(C)CC2)c2cccc(Br)c21 ZINC000161499943 524805167 /nfs/dbraw/zinc/80/51/67/524805167.db2.gz DZNKZXHQOAGDTP-XHDPSFHLSA-N 1 0 323.278 3.681 20 70 DHIDRO Cc1ccccc1C(C)(C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161394458 525071182 /nfs/dbraw/zinc/07/11/82/525071182.db2.gz FSTRAKVDLULGAI-UHFFFAOYSA-N 1 0 303.446 3.548 20 70 DHIDRO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000159382842 525299176 /nfs/dbraw/zinc/29/91/76/525299176.db2.gz LKZJJEMIASCDMD-KURKYZTESA-N 1 0 323.484 3.889 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1 ZINC000160093083 525323632 /nfs/dbraw/zinc/32/36/32/525323632.db2.gz BIEDDUUABJQUSP-AWEZNQCLSA-N 1 0 300.402 3.728 20 70 DHIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(-c2ccncc2)c1 ZINC000160656330 525501732 /nfs/dbraw/zinc/50/17/32/525501732.db2.gz ZOOOUXUJEYQLRH-YSGRDPCXSA-N 1 0 310.441 3.950 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccco1 ZINC000160153674 525611531 /nfs/dbraw/zinc/61/15/31/525611531.db2.gz GNXZJQYQHREUJB-QWHCGFSZSA-N 1 0 300.358 3.648 20 70 DHIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000160500710 525732729 /nfs/dbraw/zinc/73/27/29/525732729.db2.gz NJWGGPXJLJCIIB-GOSISDBHSA-N 1 0 324.468 3.678 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)CC1CC[NH2+]CC1 ZINC000160783383 525733405 /nfs/dbraw/zinc/73/34/05/525733405.db2.gz DVXXFJOPTKOADG-UHFFFAOYSA-N 1 0 320.502 3.965 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000161210278 525784959 /nfs/dbraw/zinc/78/49/59/525784959.db2.gz IJMQJGQSXJEHAT-CYBMUJFWSA-N 1 0 320.820 3.712 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C3CCCC3)CC2)cc1 ZINC000161042121 526084094 /nfs/dbraw/zinc/08/40/94/526084094.db2.gz ZINNLMULXGTGRM-MRXNPFEDSA-N 1 0 314.473 3.768 20 70 DHIDRO Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000161077669 526211528 /nfs/dbraw/zinc/21/15/28/526211528.db2.gz OAOXXKCCNXXWOD-XYJFISCASA-N 1 0 302.462 3.671 20 70 DHIDRO Cn1cc(C[NH2+][C@H]2CCCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159782260 527221155 /nfs/dbraw/zinc/22/11/55/527221155.db2.gz SIMYBEWLIGREMM-HNNXBMFYSA-N 1 0 323.362 3.996 20 70 DHIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(F)cc1F ZINC000160537112 332816641 /nfs/dbraw/zinc/81/66/41/332816641.db2.gz BPCWGAJBGIEYDR-UHFFFAOYSA-N 1 0 313.392 3.551 20 70 DHIDRO CC(C)Oc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159497251 332191787 /nfs/dbraw/zinc/19/17/87/332191787.db2.gz MXFNJOGITYYDQO-KSZLIROESA-N 1 0 301.430 3.521 20 70 DHIDRO CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159516913 332619086 /nfs/dbraw/zinc/61/90/86/332619086.db2.gz NBRZLVSSDWOXBS-KURKYZTESA-N 1 0 301.430 3.523 20 70 DHIDRO C[C@H]([NH2+]CCC(C)(C)O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000159735160 332697142 /nfs/dbraw/zinc/69/71/42/332697142.db2.gz MXJVJTKXCLKLLT-NEPJUHHUSA-N 1 0 303.368 3.948 20 70 DHIDRO Cc1ccc(C)c([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000159795025 332705501 /nfs/dbraw/zinc/70/55/01/332705501.db2.gz VNIOLJZIMVOVEU-LBPRGKRZSA-N 1 0 311.351 3.907 20 70 DHIDRO CCCOc1ccc([C@H](C)[NH2+][C@H](COC)C(C)C)cc1OC ZINC000160004200 332746004 /nfs/dbraw/zinc/74/60/04/332746004.db2.gz FEVWSLGBYMDYPU-GOEBONIOSA-N 1 0 309.450 3.806 20 70 DHIDRO CC[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)[NH+](C)C ZINC000160055868 332752930 /nfs/dbraw/zinc/75/29/30/332752930.db2.gz MKVCWCSUSYBUJD-IBGZPJMESA-N 1 0 310.441 3.652 20 70 DHIDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CCCC1 ZINC000160767624 333655705 /nfs/dbraw/zinc/65/57/05/333655705.db2.gz HIKAUJMXPUODME-QAPCUYQASA-N 1 0 300.446 3.518 20 70 DHIDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000160851296 333670841 /nfs/dbraw/zinc/67/08/41/333670841.db2.gz OHQLMHGXOPGPNT-QGZVFWFLSA-N 1 0 306.425 3.659 20 70 DHIDRO CCc1cccc(CC(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000160945534 333693806 /nfs/dbraw/zinc/69/38/06/333693806.db2.gz ZVILSJGTONMSTI-UHFFFAOYSA-N 1 0 310.441 3.800 20 70 DHIDRO CC(C)[NH2+]CCC(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160986603 333769897 /nfs/dbraw/zinc/76/98/97/333769897.db2.gz QNLUYBGPXSXVJE-SNVBAGLBSA-N 1 0 303.233 3.559 20 70 DHIDRO CSc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000217143904 337245243 /nfs/dbraw/zinc/24/52/43/337245243.db2.gz UCLMPLCDBPNVJH-HEHGZKQESA-N 1 0 306.475 3.761 20 70 DHIDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000159751959 338531812 /nfs/dbraw/zinc/53/18/12/338531812.db2.gz APVXIJFMRDPSNY-INIZCTEOSA-N 1 0 305.425 3.980 20 70 DHIDRO Cc1ccsc1CCCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000159933985 338536297 /nfs/dbraw/zinc/53/62/97/338536297.db2.gz LYZKMQVLXILXDP-UHFFFAOYSA-N 1 0 310.507 3.614 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000160554962 520524719 /nfs/dbraw/zinc/52/47/19/520524719.db2.gz QUJJEKKNBKPCNO-ZDUSSCGKSA-N 1 0 317.351 3.675 20 70 DHIDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000160457528 520895123 /nfs/dbraw/zinc/89/51/23/520895123.db2.gz QYOFOUSCVXEHIL-BFYDXBDKSA-N 1 0 321.461 3.950 20 70 DHIDRO CC[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330379 522196564 /nfs/dbraw/zinc/19/65/64/522196564.db2.gz GJOUJLJPPARCIV-SWLSCSKDSA-N 1 0 306.356 3.868 20 70 DHIDRO CC[C@@H](C[NH2+][C@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441462 522552907 /nfs/dbraw/zinc/55/29/07/522552907.db2.gz OEAALQICFWMSAB-OLZOCXBDSA-N 1 0 305.809 3.638 20 70 DHIDRO C[C@@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000159643125 524155929 /nfs/dbraw/zinc/15/59/29/524155929.db2.gz XUDRYBMJGRVAPB-CXAGYDPISA-N 1 0 314.404 3.513 20 70 DHIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(Cl)nc1C ZINC000160943361 524389532 /nfs/dbraw/zinc/38/95/32/524389532.db2.gz ONBPCEQZSVOKCT-UHFFFAOYSA-N 1 0 317.820 3.666 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)c1cnccn1 ZINC000161403969 525600196 /nfs/dbraw/zinc/60/01/96/525600196.db2.gz QKRFMZULCJCQPN-NWDGAFQWSA-N 1 0 320.234 3.521 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000160392115 525642889 /nfs/dbraw/zinc/64/28/89/525642889.db2.gz QWDJXHGDPSVRMD-UKRRQHHQSA-N 1 0 305.443 3.711 20 70 DHIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1 ZINC000161105081 525678617 /nfs/dbraw/zinc/67/86/17/525678617.db2.gz FVIPZGMPGMBXRW-SNPRPXQTSA-N 1 0 303.475 3.820 20 70 DHIDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000161433155 525916243 /nfs/dbraw/zinc/91/62/43/525916243.db2.gz UFCBOTSCZGLYOM-INIZCTEOSA-N 1 0 316.489 3.930 20 70 DHIDRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160598249 526607376 /nfs/dbraw/zinc/60/73/76/526607376.db2.gz WPNWNUYMGZZVJK-SNVBAGLBSA-N 1 0 308.422 3.679 20 70 DHIDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000160461833 526716535 /nfs/dbraw/zinc/71/65/35/526716535.db2.gz HIXYJHKJAZMMAU-CQSZACIVSA-N 1 0 316.426 3.826 20 70 DHIDRO NC(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000159827242 526862040 /nfs/dbraw/zinc/86/20/40/526862040.db2.gz DGYSCLSJTUYKIN-UHFFFAOYSA-N 1 0 314.454 3.503 20 70 DHIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC000160169047 332768448 /nfs/dbraw/zinc/76/84/48/332768448.db2.gz XYZROWKTIOUPSX-DYVFJYSZSA-N 1 0 320.864 3.924 20 70 DHIDRO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160413953 332792202 /nfs/dbraw/zinc/79/22/02/332792202.db2.gz CUUFRLAWJPXEMV-DLBZAZTESA-N 1 0 323.525 3.861 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)CCO1 ZINC000160538179 332816670 /nfs/dbraw/zinc/81/66/70/332816670.db2.gz KSJAWDGONRWOAU-AWEZNQCLSA-N 1 0 302.443 3.857 20 70 DHIDRO CCCCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000160565271 332825146 /nfs/dbraw/zinc/82/51/46/332825146.db2.gz HQWZDFDZVRVNPW-INIZCTEOSA-N 1 0 321.461 3.921 20 70 DHIDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000160623045 332839616 /nfs/dbraw/zinc/83/96/16/332839616.db2.gz YZDAUQXTSMWERK-LJQANCHMSA-N 1 0 314.473 3.933 20 70 DHIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000159410235 332093384 /nfs/dbraw/zinc/09/33/84/332093384.db2.gz BUMUXUNCOQRLOT-BFHYXJOUSA-N 1 0 324.415 3.795 20 70 DHIDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159863062 332718430 /nfs/dbraw/zinc/71/84/30/332718430.db2.gz DUNZSBRSJYXOEB-VXGBXAGGSA-N 1 0 324.387 3.612 20 70 DHIDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](COC)C(C)C)cc1OC ZINC000160003910 332745924 /nfs/dbraw/zinc/74/59/24/332745924.db2.gz FEVWSLGBYMDYPU-HOCLYGCPSA-N 1 0 309.450 3.806 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)cc1 ZINC000160090430 332759963 /nfs/dbraw/zinc/75/99/63/332759963.db2.gz LHBPEUHTKKIUOB-GFCCVEGCSA-N 1 0 307.340 3.703 20 70 DHIDRO Cc1ccsc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161105127 333813873 /nfs/dbraw/zinc/81/38/73/333813873.db2.gz QKIZOSVOXJOYKN-NSHDSACASA-N 1 0 308.834 3.999 20 70 DHIDRO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000161415477 334889624 /nfs/dbraw/zinc/88/96/24/334889624.db2.gz AZMXUINXTMRKRK-WFZIFLONSA-N 1 0 322.452 3.685 20 70 DHIDRO CCOC(=O)CCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000216763455 336284784 /nfs/dbraw/zinc/28/47/84/336284784.db2.gz JBLSTNWXKIEBPN-ZDUSSCGKSA-N 1 0 319.401 3.825 20 70 DHIDRO CCOC(=O)CCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000216763500 336284787 /nfs/dbraw/zinc/28/47/87/336284787.db2.gz JBLSTNWXKIEBPN-CYBMUJFWSA-N 1 0 319.401 3.825 20 70 DHIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160082235 338541644 /nfs/dbraw/zinc/54/16/44/338541644.db2.gz VEPQXCKAPZHIKL-LBPRGKRZSA-N 1 0 301.352 3.909 20 70 DHIDRO C[NH+](C)C1(CN[C@@H](c2ccccc2)C(F)(F)F)CCCC1 ZINC000160889672 338569466 /nfs/dbraw/zinc/56/94/66/338569466.db2.gz AFWVUKKWAGLRLN-AWEZNQCLSA-N 1 0 300.368 3.754 20 70 DHIDRO COc1ccc(OC)c([C@H](C)[NH2+]CCCOc2ccccc2)c1 ZINC000216776805 340485471 /nfs/dbraw/zinc/48/54/71/340485471.db2.gz UWLADHWJSPRYCR-HNNXBMFYSA-N 1 0 315.413 3.824 20 70 DHIDRO CC(=O)Nc1ccccc1C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC000160384555 519750636 /nfs/dbraw/zinc/75/06/36/519750636.db2.gz MSZQQMVZNQNLQA-UHFFFAOYSA-N 1 0 321.424 3.767 20 70 DHIDRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000160961040 519786607 /nfs/dbraw/zinc/78/66/07/519786607.db2.gz LITLOTKCPASBER-INIZCTEOSA-N 1 0 311.491 3.577 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000160579461 519903434 /nfs/dbraw/zinc/90/34/34/519903434.db2.gz AGVUZPGBZWHOGI-LJQANCHMSA-N 1 0 308.425 3.604 20 70 DHIDRO CCCOc1c(C[NH2+][C@@H]2CCOC(C)(C)C2)cccc1OCC ZINC000160477107 520293323 /nfs/dbraw/zinc/29/33/23/520293323.db2.gz YBZAHJIYHAYPIP-MRXNPFEDSA-N 1 0 321.461 3.921 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000160497651 520523791 /nfs/dbraw/zinc/52/37/91/520523791.db2.gz VPZBHAMQXJHJBU-NSHDSACASA-N 1 0 319.779 3.989 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCO1 ZINC000160512305 520555219 /nfs/dbraw/zinc/55/52/19/520555219.db2.gz QNJRMLRMQBWKQE-OAHLLOKOSA-N 1 0 319.836 3.573 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CCO1 ZINC000160587181 520556465 /nfs/dbraw/zinc/55/64/65/520556465.db2.gz BDRIDDHPFMCWBL-GFCCVEGCSA-N 1 0 305.315 3.892 20 70 DHIDRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(F)n2)cc1)C(C)C ZINC000160523356 521301296 /nfs/dbraw/zinc/30/12/96/521301296.db2.gz MBLIRLPZJCOIJZ-UHFFFAOYSA-N 1 0 315.392 3.703 20 70 DHIDRO CCOc1ccccc1[C@H](CC)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161392043 521589474 /nfs/dbraw/zinc/58/94/74/521589474.db2.gz SBXGJTKHKXNTCV-HTWSVDAQSA-N 1 0 318.461 3.573 20 70 DHIDRO CC[C@H](C[NH2+][C@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442598 522202181 /nfs/dbraw/zinc/20/21/81/522202181.db2.gz YFUZDFFOGGTFFV-TZMCWYRMSA-N 1 0 307.825 3.582 20 70 DHIDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cnc3ccccn23)c1 ZINC000160491939 522289305 /nfs/dbraw/zinc/28/93/05/522289305.db2.gz ZVOYPCHNQWMTLZ-LJQANCHMSA-N 1 0 320.440 3.737 20 70 DHIDRO CC[C@@H](C[NH2+][C@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160321981 522552590 /nfs/dbraw/zinc/55/25/90/522552590.db2.gz GWQCZDAGNRMLEG-HIFRSBDPSA-N 1 0 305.397 3.550 20 70 DHIDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(OC)c(OC)c1 ZINC000161176591 522863542 /nfs/dbraw/zinc/86/35/42/522863542.db2.gz HYYGHTOKCRPXFU-IAGOWNOFSA-N 1 0 320.477 3.619 20 70 DHIDRO Cc1ccc(C[NH+]2CCCC2)cc1N[C@H](C)CCn1cccn1 ZINC000159478292 524443429 /nfs/dbraw/zinc/44/34/29/524443429.db2.gz HJTXQDVOXQJPFV-QGZVFWFLSA-N 1 0 312.461 3.678 20 70 DHIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2F)n1 ZINC000160410516 524896029 /nfs/dbraw/zinc/89/60/29/524896029.db2.gz HVNNZZNVIMVPIC-MSOLQXFVSA-N 1 0 318.367 3.539 20 70 DHIDRO Cc1ccc(NC(=O)[C@@H](C)c2cccs2)c(C[NH+](C)C)c1 ZINC000160326164 525195682 /nfs/dbraw/zinc/19/56/82/525195682.db2.gz OYFJSYJIRMGAGU-ZDUSSCGKSA-N 1 0 302.443 3.860 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)s2)cc1NC(C)=O ZINC000160934798 525323879 /nfs/dbraw/zinc/32/38/79/525323879.db2.gz LWAYKTYFISVJKW-LBPRGKRZSA-N 1 0 318.442 3.874 20 70 DHIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)sc1Cl ZINC000159512888 525435531 /nfs/dbraw/zinc/43/55/31/525435531.db2.gz ONOIYYNVUDKOML-SECBINFHSA-N 1 0 321.273 3.718 20 70 DHIDRO C[C@@H]1C[C@H]([NH2+]C2CCN(C)CC2)c2cccc(Br)c21 ZINC000161499657 525435791 /nfs/dbraw/zinc/43/57/91/525435791.db2.gz DZNKZXHQOAGDTP-ABAIWWIYSA-N 1 0 323.278 3.681 20 70 DHIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159538710 525638760 /nfs/dbraw/zinc/63/87/60/525638760.db2.gz OIBIHICOJYICEI-MLGOLLRUSA-N 1 0 319.474 3.517 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000160282781 525698828 /nfs/dbraw/zinc/69/88/28/525698828.db2.gz HCKYUQCTWZGCRJ-ONGXEEELSA-N 1 0 308.274 3.758 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC000161216804 525785539 /nfs/dbraw/zinc/78/55/39/525785539.db2.gz LXBKASFUCMZXHM-CYBMUJFWSA-N 1 0 320.820 3.712 20 70 DHIDRO Cc1ccc(C(=O)CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000159768135 526045322 /nfs/dbraw/zinc/04/53/22/526045322.db2.gz YUALWKFZYUPNNA-LJQANCHMSA-N 1 0 314.473 3.518 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C3CCCC3)CC2)cc1 ZINC000161041985 526084523 /nfs/dbraw/zinc/08/45/23/526084523.db2.gz ZINNLMULXGTGRM-INIZCTEOSA-N 1 0 314.473 3.768 20 70 DHIDRO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000160527968 526094096 /nfs/dbraw/zinc/09/40/96/526094096.db2.gz IJTKMNBEDCSQKA-OLMNPRSZSA-N 1 0 300.446 3.504 20 70 DHIDRO c1ccc([C@H]([NH2+]C2CCC3(CC2)OCCO3)C2CCC2)cc1 ZINC000161026597 526495690 /nfs/dbraw/zinc/49/56/90/526495690.db2.gz IKIHYUQTOYHGLM-SFHVURJKSA-N 1 0 301.430 3.803 20 70 DHIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)cc1 ZINC000161294669 527381901 /nfs/dbraw/zinc/38/19/01/527381901.db2.gz SXRATRNLPPXDLC-HNNXBMFYSA-N 1 0 306.413 3.735 20 70 DHIDRO C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160414085 332792322 /nfs/dbraw/zinc/79/23/22/332792322.db2.gz CUUFRLAWJPXEMV-IAGOWNOFSA-N 1 0 323.525 3.861 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CCO1 ZINC000160610556 332837146 /nfs/dbraw/zinc/83/71/46/332837146.db2.gz DGEFNLMYFZROFB-ZDUSSCGKSA-N 1 0 317.351 3.675 20 70 DHIDRO CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000159382537 332082069 /nfs/dbraw/zinc/08/20/69/332082069.db2.gz TWPHDNAYHKYTEV-UONOGXRCSA-N 1 0 324.456 3.667 20 70 DHIDRO CCc1nc2c(s1)[C@H]([NH2+]C[C@](C)(O)CCC(C)C)CCC2 ZINC000159384083 332082148 /nfs/dbraw/zinc/08/21/48/332082148.db2.gz LXMKTZUOWCSADH-CXAGYDPISA-N 1 0 310.507 3.860 20 70 DHIDRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000159382775 332082177 /nfs/dbraw/zinc/08/21/77/332082177.db2.gz TWPHDNAYHKYTEV-ZIAGYGMSSA-N 1 0 324.456 3.667 20 70 DHIDRO FC(F)(F)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159678122 332688436 /nfs/dbraw/zinc/68/84/36/332688436.db2.gz RTXGZCBNZGFBGP-ZNMIVQPWSA-N 1 0 311.347 3.753 20 70 DHIDRO C[C@@H]([NH2+]CCC(C)(C)O)[C@H](C)c1ccccc1C(F)(F)F ZINC000159735034 332697126 /nfs/dbraw/zinc/69/71/26/332697126.db2.gz MXJVJTKXCLKLLT-NWDGAFQWSA-N 1 0 303.368 3.948 20 70 DHIDRO Cc1ccc(-c2cccc(C[NH+]3CCC(CC(N)=O)CC3)c2)cc1 ZINC000159802305 332707322 /nfs/dbraw/zinc/70/73/22/332707322.db2.gz PDDZTJMUCPAJIW-UHFFFAOYSA-N 1 0 322.452 3.749 20 70 DHIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCOCC(F)(F)F ZINC000159919806 332729709 /nfs/dbraw/zinc/72/97/09/332729709.db2.gz GVOTZGIAGZEXDU-FLIBITNWSA-N 1 0 307.743 3.912 20 70 DHIDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)cc1F ZINC000161024355 333782034 /nfs/dbraw/zinc/78/20/34/333782034.db2.gz HZWALBQZFMXVGS-GUYCJALGSA-N 1 0 324.415 3.653 20 70 DHIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)c(F)c(F)c1 ZINC000161065521 333792719 /nfs/dbraw/zinc/79/27/19/333792719.db2.gz ZHLBMIMKDHLNAL-DRZSPHRISA-N 1 0 300.368 3.627 20 70 DHIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(SC)c(Cl)c1 ZINC000161210730 334887358 /nfs/dbraw/zinc/88/73/58/334887358.db2.gz AFHLHNKDSNIQIH-UHFFFAOYSA-N 1 0 300.855 3.766 20 70 DHIDRO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000216681300 336396232 /nfs/dbraw/zinc/39/62/32/336396232.db2.gz OKYOVCMDYAHCGX-HNNXBMFYSA-N 1 0 320.502 3.965 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2)cc1F ZINC000216769400 337226542 /nfs/dbraw/zinc/22/65/42/337226542.db2.gz DYLCIKRZFTZYGR-GFCCVEGCSA-N 1 0 307.340 3.703 20 70 DHIDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218046171 337324496 /nfs/dbraw/zinc/32/44/96/337324496.db2.gz FODHUZQCBKHSHZ-CYJAXWMASA-N 1 0 314.473 3.620 20 70 DHIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc2c(s1)CCC2 ZINC000161498553 337589791 /nfs/dbraw/zinc/58/97/91/337589791.db2.gz YHKMHVYYDRRVGC-CZUORRHYSA-N 1 0 301.455 3.664 20 70 DHIDRO CC(=O)NC1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000161026352 519645800 /nfs/dbraw/zinc/64/58/00/519645800.db2.gz UITUCPOQAYJQEX-ACBHZAAOSA-N 1 0 300.446 3.565 20 70 DHIDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)cn1 ZINC000160033303 519779925 /nfs/dbraw/zinc/77/99/25/519779925.db2.gz PEIWKUSUXRCCSN-KRWDZBQOSA-N 1 0 300.377 3.785 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000160579575 519903021 /nfs/dbraw/zinc/90/30/21/519903021.db2.gz AGVUZPGBZWHOGI-IBGZPJMESA-N 1 0 308.425 3.604 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000160549937 520555207 /nfs/dbraw/zinc/55/52/07/520555207.db2.gz RKRLGQPOPDXFLE-CYBMUJFWSA-N 1 0 305.315 3.892 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CCO1 ZINC000160581930 520555576 /nfs/dbraw/zinc/55/55/76/520555576.db2.gz CJUFWUFMUDOXBV-LLVKDONJSA-N 1 0 308.472 3.919 20 70 DHIDRO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccn1 ZINC000161090801 520982429 /nfs/dbraw/zinc/98/24/29/520982429.db2.gz PVCCTDRQGKNQCH-UHFFFAOYSA-N 1 0 317.820 3.586 20 70 DHIDRO CCCC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160473181 521243998 /nfs/dbraw/zinc/24/39/98/521243998.db2.gz RKKCSSJZWOBACV-IRXDYDNUSA-N 1 0 316.424 3.562 20 70 DHIDRO CCC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccccc1 ZINC000160476454 521692091 /nfs/dbraw/zinc/69/20/91/521692091.db2.gz WWNQVJFDMMHDBN-UHFFFAOYSA-N 1 0 320.440 3.894 20 70 DHIDRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CC1CC[NH2+]CC1 ZINC000161247190 522300289 /nfs/dbraw/zinc/30/02/89/522300289.db2.gz MQZCNGFCCAADFQ-LJQANCHMSA-N 1 0 316.489 3.554 20 70 DHIDRO CC[C@@H](C[NH2+][C@@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441224 522551650 /nfs/dbraw/zinc/55/16/50/522551650.db2.gz OEAALQICFWMSAB-STQMWFEESA-N 1 0 305.809 3.638 20 70 DHIDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1OC(F)F ZINC000160587383 522616730 /nfs/dbraw/zinc/61/67/30/522616730.db2.gz MBRABSOENYKAIC-QEJZJMRPSA-N 1 0 313.388 3.880 20 70 DHIDRO CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc2c(c1)CCO2 ZINC000159419223 522664570 /nfs/dbraw/zinc/66/45/70/522664570.db2.gz RJFHTMJNOZVSBE-KRWDZBQOSA-N 1 0 307.397 3.510 20 70 DHIDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1C ZINC000160623075 523637388 /nfs/dbraw/zinc/63/73/88/523637388.db2.gz WYRVGECDIMMUFW-UHFFFAOYSA-N 1 0 323.387 3.753 20 70 DHIDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159978848 523858712 /nfs/dbraw/zinc/85/87/12/523858712.db2.gz NQSSCLPDZPQLLQ-SUMWQHHRSA-N 1 0 305.443 3.623 20 70 DHIDRO Cc1ccc(C[NH+]2CCCC2)cc1N[C@@H](C)CCn1cccn1 ZINC000159478168 524444215 /nfs/dbraw/zinc/44/42/15/524444215.db2.gz HJTXQDVOXQJPFV-KRWDZBQOSA-N 1 0 312.461 3.678 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1F ZINC000160050510 525154716 /nfs/dbraw/zinc/15/47/16/525154716.db2.gz XBFGEXSPBLBBEU-CYBMUJFWSA-N 1 0 318.392 3.867 20 70 DHIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483583 525406571 /nfs/dbraw/zinc/40/65/71/525406571.db2.gz XBEKLDGABKYIIZ-SMDDNHRTSA-N 1 0 309.331 3.531 20 70 DHIDRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 ZINC000161404824 525426033 /nfs/dbraw/zinc/42/60/33/525426033.db2.gz SHJRWSGPRZQDHW-OAHLLOKOSA-N 1 0 302.462 3.622 20 70 DHIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(Cl)c1Cl ZINC000159481895 525434799 /nfs/dbraw/zinc/43/47/99/525434799.db2.gz VYIWOAKUYUZDBF-LLVKDONJSA-N 1 0 315.244 3.657 20 70 DHIDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cncs1 ZINC000161157308 525463029 /nfs/dbraw/zinc/46/30/29/525463029.db2.gz MEPKWEVCRCMWNP-SNVBAGLBSA-N 1 0 316.348 3.935 20 70 DHIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483690 525492689 /nfs/dbraw/zinc/49/26/89/525492689.db2.gz XBEKLDGABKYIIZ-BXUZGUMPSA-N 1 0 309.331 3.531 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC000160979197 526084471 /nfs/dbraw/zinc/08/44/71/526084471.db2.gz RWQHHQJQVOXNJJ-QGZVFWFLSA-N 1 0 322.452 3.950 20 70 DHIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160354067 527197626 /nfs/dbraw/zinc/19/76/26/527197626.db2.gz KWHNCCJMDDUSDH-XJKSGUPXSA-N 1 0 324.428 3.615 20 70 DHIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160544131 527198985 /nfs/dbraw/zinc/19/89/85/527198985.db2.gz LGGJNSKZRUNYHB-CZUORRHYSA-N 1 0 322.412 3.512 20 70 DHIDRO Cn1cc(C[NH2+][C@H]2CCCc3sccc32)c(-c2cccnc2)n1 ZINC000160956234 527223533 /nfs/dbraw/zinc/22/35/33/527223533.db2.gz WVZWCGUFPXHIAU-INIZCTEOSA-N 1 0 324.453 3.711 20 70 DHIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159586318 527382182 /nfs/dbraw/zinc/38/21/82/527382182.db2.gz AMTXUWITPTYTAE-XJKSGUPXSA-N 1 0 301.459 3.727 20 70 DHIDRO CC[C@H](C)[N@H+](C)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000217366577 332382296 /nfs/dbraw/zinc/38/22/96/332382296.db2.gz VPYAGNHXAMEUPL-VIFPVBQESA-N 1 0 309.763 3.896 20 70 DHIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 ZINC000159868794 332717615 /nfs/dbraw/zinc/71/76/15/332717615.db2.gz MPNZBGSWZLZFLM-ZIAGYGMSSA-N 1 0 310.376 3.818 20 70 DHIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1c(C)nn(C)c1C ZINC000159931951 332732185 /nfs/dbraw/zinc/73/21/85/332732185.db2.gz SZKWQXSHIAJOBU-QBFSEMIESA-N 1 0 317.864 3.926 20 70 DHIDRO CCCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@@H]2CCOC2)cc1OC ZINC000160004775 332744985 /nfs/dbraw/zinc/74/49/85/332744985.db2.gz AZUHHHAVLZXPKY-USXIJHARSA-N 1 0 321.461 3.950 20 70 DHIDRO Cc1c([C@@H](C)[NH2+]CCOCC(C)C)cnn1-c1ccc(F)cc1 ZINC000160691093 333477594 /nfs/dbraw/zinc/47/75/94/333477594.db2.gz MNTUFGCXMSCMKX-CQSZACIVSA-N 1 0 319.424 3.643 20 70 DHIDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc(C)c1F ZINC000161277107 337578015 /nfs/dbraw/zinc/57/80/15/337578015.db2.gz VHJSHRLERDULRG-AWEZNQCLSA-N 1 0 320.433 3.537 20 70 DHIDRO Cc1cccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000161473219 337586635 /nfs/dbraw/zinc/58/66/35/337586635.db2.gz GZLRNUUWHNJVLZ-KRWDZBQOSA-N 1 0 310.441 3.682 20 70 DHIDRO CCC[C@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000161495025 337589681 /nfs/dbraw/zinc/58/96/81/337589681.db2.gz FHLHQKOBYCAKEN-BXUZGUMPSA-N 1 0 316.367 3.613 20 70 DHIDRO Brc1ccc(C[NH2+]Cc2ccco2)c2ncccc12 ZINC000160302555 518211937 /nfs/dbraw/zinc/21/19/37/518211937.db2.gz WDHKRZDVBKHYKR-UHFFFAOYSA-N 1 0 317.186 3.880 20 70 DHIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cn1 ZINC000160033192 519779870 /nfs/dbraw/zinc/77/98/70/519779870.db2.gz PEIWKUSUXRCCSN-QGZVFWFLSA-N 1 0 300.377 3.785 20 70 DHIDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159535690 519788013 /nfs/dbraw/zinc/78/80/13/519788013.db2.gz GKCBFZPSPKVLBA-OAHLLOKOSA-N 1 0 320.502 3.850 20 70 DHIDRO CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000160280905 519839069 /nfs/dbraw/zinc/83/90/69/519839069.db2.gz SXRYOIHLOZCINH-DLBZAZTESA-N 1 0 316.489 3.714 20 70 DHIDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)CCO1 ZINC000159937948 520526359 /nfs/dbraw/zinc/52/63/59/520526359.db2.gz VCABPTBJDRIZJM-ZFWWWQNUSA-N 1 0 324.262 3.984 20 70 DHIDRO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1ccco1 ZINC000160301279 520702443 /nfs/dbraw/zinc/70/24/43/520702443.db2.gz OWFCDHBHXTXLJS-MRXNPFEDSA-N 1 0 316.445 3.851 20 70 DHIDRO CC[C@@H](C(=O)Nc1cccc(CSC(C)C)c1C)[NH+](C)C ZINC000160428931 521874352 /nfs/dbraw/zinc/87/43/52/521874352.db2.gz AXDOSNBNGZWLKI-INIZCTEOSA-N 1 0 308.491 3.915 20 70 DHIDRO CC[C@H](C[NH2+][C@@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160321855 522199486 /nfs/dbraw/zinc/19/94/86/522199486.db2.gz GWQCZDAGNRMLEG-DZGCQCFKSA-N 1 0 305.397 3.550 20 70 DHIDRO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000160968528 522360112 /nfs/dbraw/zinc/36/01/12/522360112.db2.gz MAYJESIHVJTBNV-CVEARBPZSA-N 1 0 302.462 3.624 20 70 DHIDRO CC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000159821802 522664518 /nfs/dbraw/zinc/66/45/18/522664518.db2.gz BXQGECKKMPBDAC-ZDUSSCGKSA-N 1 0 315.314 3.819 20 70 DHIDRO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000159960629 522951737 /nfs/dbraw/zinc/95/17/37/522951737.db2.gz ZXTMOWLZWBFOPX-LSDHHAIUSA-N 1 0 307.434 3.702 20 70 DHIDRO CCn1cc([C@@H](C)[NH2+]CC2(Sc3ccccc3)CC2)cn1 ZINC000160492182 523455238 /nfs/dbraw/zinc/45/52/38/523455238.db2.gz KIDZTXOZJWWQGX-CQSZACIVSA-N 1 0 301.459 3.879 20 70 DHIDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000159938552 523981083 /nfs/dbraw/zinc/98/10/83/523981083.db2.gz NAZONGSCHCAJGW-RDTXWAMCSA-N 1 0 319.470 3.575 20 70 DHIDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCSC2)c(C)c1 ZINC000159568781 525086398 /nfs/dbraw/zinc/08/63/98/525086398.db2.gz CDYIVCDHKGOALY-HUUCEWRRSA-N 1 0 306.475 3.506 20 70 DHIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)ccc1Cl ZINC000159576653 525337089 /nfs/dbraw/zinc/33/70/89/525337089.db2.gz PMPPJQZNIRMEPU-NSHDSACASA-N 1 0 315.244 3.657 20 70 DHIDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccco1 ZINC000160153395 525533277 /nfs/dbraw/zinc/53/32/77/525533277.db2.gz GNXZJQYQHREUJB-STQMWFEESA-N 1 0 300.358 3.648 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000160398935 525699008 /nfs/dbraw/zinc/69/90/08/525699008.db2.gz WLGKHJNGQQYCAS-ONGXEEELSA-N 1 0 308.274 3.758 20 70 DHIDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000161454384 526044278 /nfs/dbraw/zinc/04/42/78/526044278.db2.gz VNHZYPOCMCONFG-KGLIPLIRSA-N 1 0 322.880 3.680 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000161011008 526085626 /nfs/dbraw/zinc/08/56/26/526085626.db2.gz DXTPGYFXUUEAAG-VQIMIIECSA-N 1 0 314.473 3.768 20 70 DHIDRO [NH3+]C1(CNC(=O)c2cc(F)c(Cl)cc2Cl)CCCCC1 ZINC000159468765 527131065 /nfs/dbraw/zinc/13/10/65/527131065.db2.gz GEMIRCKCCPBAJN-UHFFFAOYSA-N 1 0 319.207 3.524 20 70 DHIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160543917 527197581 /nfs/dbraw/zinc/19/75/81/527197581.db2.gz LGGJNSKZRUNYHB-XJKSGUPXSA-N 1 0 322.412 3.512 20 70 DHIDRO Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159779133 527223720 /nfs/dbraw/zinc/22/37/20/527223720.db2.gz VJVDJGHULRGICU-AWEZNQCLSA-N 1 0 309.335 3.606 20 70 DHIDRO OC[C@@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161405026 527581014 /nfs/dbraw/zinc/58/10/14/527581014.db2.gz ANHOXIBGXJMGCP-RHSMWYFYSA-N 1 0 317.429 3.728 20 70 DHIDRO OC[C@H](C[NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161404895 527607786 /nfs/dbraw/zinc/60/77/86/527607786.db2.gz ANHOXIBGXJMGCP-WMLDXEAASA-N 1 0 317.429 3.728 20 70 DHIDRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc2c(c1)CCCC2 ZINC000160294659 332782604 /nfs/dbraw/zinc/78/26/04/332782604.db2.gz JDOXHEXGFSJBEI-AWEZNQCLSA-N 1 0 322.443 3.946 20 70 DHIDRO Cc1ccc(NC(=O)[C@@H](C)c2ccsc2)c(C[NH+](C)C)c1 ZINC000160326594 332784118 /nfs/dbraw/zinc/78/41/18/332784118.db2.gz GABPRXQOQNXYGH-ZDUSSCGKSA-N 1 0 302.443 3.860 20 70 DHIDRO CC[C@H](C[NH2+][C@H](CC)[C@@H]1CCOC1)Oc1ccccc1Cl ZINC000160450670 332796702 /nfs/dbraw/zinc/79/67/02/332796702.db2.gz NLXLNADOHJLRAA-IIAWOOMASA-N 1 0 311.853 3.902 20 70 DHIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000160631599 332840228 /nfs/dbraw/zinc/84/02/28/332840228.db2.gz DFXLTNLJHBPQLL-GOSISDBHSA-N 1 0 324.468 3.678 20 70 DHIDRO CC[N@H+](CCCOc1ccccc1C)CCc1nccs1 ZINC000159430012 332111561 /nfs/dbraw/zinc/11/15/61/332111561.db2.gz YITXRHHJRDOALR-UHFFFAOYSA-N 1 0 304.459 3.785 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]CCOc2cccc(C)c2)cc1F ZINC000216769181 332201484 /nfs/dbraw/zinc/20/14/84/332201484.db2.gz QHYHAJIDWSFRLT-CQSZACIVSA-N 1 0 303.377 3.872 20 70 DHIDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159834215 332713860 /nfs/dbraw/zinc/71/38/60/332713860.db2.gz VIBHJUOHAAWKCM-CVEARBPZSA-N 1 0 306.413 3.988 20 70 DHIDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159863175 332718331 /nfs/dbraw/zinc/71/83/31/332718331.db2.gz DUNZSBRSJYXOEB-NEPJUHHUSA-N 1 0 324.387 3.612 20 70 DHIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159975393 332740834 /nfs/dbraw/zinc/74/08/34/332740834.db2.gz QBTRCYIPQBHYLK-GFCCVEGCSA-N 1 0 316.367 3.518 20 70 DHIDRO CC(C)c1noc(CCC[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000160778571 333368282 /nfs/dbraw/zinc/36/82/82/333368282.db2.gz NWFHBKGYQHCBHF-CQSZACIVSA-N 1 0 317.458 3.952 20 70 DHIDRO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(F)cc1 ZINC000160705399 333480190 /nfs/dbraw/zinc/48/01/90/333480190.db2.gz IDDVPJUFHRBXHS-MRXNPFEDSA-N 1 0 301.365 3.557 20 70 DHIDRO Cc1cc(C)n2c(C[NH2+][C@H]3CCCc4sccc43)cnc2n1 ZINC000160976355 333730389 /nfs/dbraw/zinc/73/03/89/333730389.db2.gz LJOPNIRCFGCORM-HNNXBMFYSA-N 1 0 312.442 3.575 20 70 DHIDRO CC[C@H](OC1CCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000161034415 333787691 /nfs/dbraw/zinc/78/76/91/333787691.db2.gz ZMHXRUXUAXYYNR-INIZCTEOSA-N 1 0 324.509 3.540 20 70 DHIDRO CC(C)C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccccn1 ZINC000161114219 333815514 /nfs/dbraw/zinc/81/55/14/333815514.db2.gz QOSHMACUBXQLCE-KRWDZBQOSA-N 1 0 312.413 3.730 20 70 DHIDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)Cc1cccs1 ZINC000216829745 336386735 /nfs/dbraw/zinc/38/67/35/336386735.db2.gz DPPOCVGWVLHHJF-GJZGRUSLSA-N 1 0 308.491 3.750 20 70 DHIDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046442 337324473 /nfs/dbraw/zinc/32/44/73/337324473.db2.gz CKQGLAWIBAQGCH-DNVCBOLYSA-N 1 0 314.473 3.812 20 70 DHIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)cc1OC ZINC000161252808 337575306 /nfs/dbraw/zinc/57/53/06/337575306.db2.gz BFZSFSFKWNUVID-RDTXWAMCSA-N 1 0 321.461 3.950 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CCO1 ZINC000160464304 338551393 /nfs/dbraw/zinc/55/13/93/338551393.db2.gz HFRLEZQSRBQGRH-AWEZNQCLSA-N 1 0 320.433 3.996 20 70 DHIDRO CC(C)(O)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000160617795 519362348 /nfs/dbraw/zinc/36/23/48/519362348.db2.gz SSLGUQGZVVMHDM-CYBMUJFWSA-N 1 0 320.433 3.687 20 70 DHIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccccc3)CCCC2)CC1 ZINC000161262288 519644534 /nfs/dbraw/zinc/64/45/34/519644534.db2.gz ZBYGWXFSEZVIHU-UHFFFAOYSA-N 1 0 314.473 3.535 20 70 DHIDRO CC(C)c1ccc(N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161459654 519836585 /nfs/dbraw/zinc/83/65/85/519836585.db2.gz UVPGTSVLMPMDPM-ZXFUBFMLSA-N 1 0 300.446 3.694 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2sccc2C)c1 ZINC000160178591 519898645 /nfs/dbraw/zinc/89/86/45/519898645.db2.gz DJQXZDZDGZIVJX-ZDUSSCGKSA-N 1 0 302.443 3.657 20 70 DHIDRO CC(C)n1cc([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)cn1 ZINC000161375176 519977358 /nfs/dbraw/zinc/97/73/58/519977358.db2.gz WYPFYLDDALWBHY-AWEZNQCLSA-N 1 0 301.409 3.986 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000160497537 520555016 /nfs/dbraw/zinc/55/50/16/520555016.db2.gz VPZBHAMQXJHJBU-LLVKDONJSA-N 1 0 319.779 3.989 20 70 DHIDRO CCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OCC ZINC000160575472 521011217 /nfs/dbraw/zinc/01/12/17/521011217.db2.gz YHVPUAMOICMFPV-HNNXBMFYSA-N 1 0 307.434 3.531 20 70 DHIDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000160724607 521223913 /nfs/dbraw/zinc/22/39/13/521223913.db2.gz LMVFOFUNILGMRJ-GDBMZVCRSA-N 1 0 324.424 3.862 20 70 DHIDRO CCOCCC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000160321926 521704554 /nfs/dbraw/zinc/70/45/54/521704554.db2.gz OAVPXZXDGNYVJO-UHFFFAOYSA-N 1 0 316.420 3.692 20 70 DHIDRO CC[C@H](C[NH2+][C@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330622 522201235 /nfs/dbraw/zinc/20/12/35/522201235.db2.gz GJOUJLJPPARCIV-IUODEOHRSA-N 1 0 306.356 3.868 20 70 DHIDRO CC[C@@H](C[NH2+][C@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160314993 522553881 /nfs/dbraw/zinc/55/38/81/522553881.db2.gz SOXXLRZRNSELAI-DOMZBBRYSA-N 1 0 317.408 3.741 20 70 DHIDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1OC ZINC000160705478 522853069 /nfs/dbraw/zinc/85/30/69/522853069.db2.gz PVTAXOUJCDMVCS-WMLDXEAASA-N 1 0 324.424 3.862 20 70 DHIDRO Cc1cc(C[NH2+][C@@H]2CCCc3sccc32)ccc1-n1cncn1 ZINC000160959609 524770928 /nfs/dbraw/zinc/77/09/28/524770928.db2.gz WJRWJSSUCWARJM-MRXNPFEDSA-N 1 0 324.453 3.804 20 70 DHIDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCSC2)c(C)c1 ZINC000159569041 525085235 /nfs/dbraw/zinc/08/52/35/525085235.db2.gz CDYIVCDHKGOALY-CABCVRRESA-N 1 0 306.475 3.506 20 70 DHIDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCSC2)c(C)c1 ZINC000159568899 525089881 /nfs/dbraw/zinc/08/98/81/525089881.db2.gz CDYIVCDHKGOALY-LSDHHAIUSA-N 1 0 306.475 3.506 20 70 DHIDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000159753064 525360363 /nfs/dbraw/zinc/36/03/63/525360363.db2.gz HKURKEDKCFIQSP-QGZVFWFLSA-N 1 0 304.478 3.535 20 70 DHIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000161478142 525405730 /nfs/dbraw/zinc/40/57/30/525405730.db2.gz HVUWTVKTQNCIBA-XJKSGUPXSA-N 1 0 321.367 3.715 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000160283144 525641353 /nfs/dbraw/zinc/64/13/53/525641353.db2.gz HCKYUQCTWZGCRJ-MWLCHTKSSA-N 1 0 308.274 3.758 20 70 DHIDRO Cc1ccc([C@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000159658227 525877252 /nfs/dbraw/zinc/87/72/52/525877252.db2.gz AGGNQYZQKVVUSQ-MDZRGWNJSA-N 1 0 310.441 3.551 20 70 DHIDRO C[C@@H](Oc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000160958933 525962100 /nfs/dbraw/zinc/96/21/00/525962100.db2.gz RDCZBVJKVYMXFM-WBVHZDCISA-N 1 0 324.424 3.765 20 70 DHIDRO C[C@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000159642715 526019383 /nfs/dbraw/zinc/01/93/83/526019383.db2.gz XUDRYBMJGRVAPB-GUYCJALGSA-N 1 0 314.404 3.513 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC000160979072 526085581 /nfs/dbraw/zinc/08/55/81/526085581.db2.gz RWQHHQJQVOXNJJ-KRWDZBQOSA-N 1 0 322.452 3.950 20 70 DHIDRO C[C@@H](c1ccco1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000159760433 526135738 /nfs/dbraw/zinc/13/57/38/526135738.db2.gz VGPZKURLAMNLQJ-AWEZNQCLSA-N 1 0 311.385 3.955 20 70 DHIDRO c1ccc([C@@H]2C[C@@H](Nc3cc(NCC4CC4)ncn3)CCO2)cc1 ZINC000160625717 526493051 /nfs/dbraw/zinc/49/30/51/526493051.db2.gz QNLKGFFCIQRVQJ-IRXDYDNUSA-N 1 0 324.428 3.631 20 70 DHIDRO Cc1noc(C)c1C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237482 526500581 /nfs/dbraw/zinc/50/05/81/526500581.db2.gz MLSNYMVBGZDDBT-UHFFFAOYSA-N 1 0 324.428 3.746 20 70 DHIDRO O=C1C[C@H](C[NH2+][C@@H]2CCSc3ccccc32)c2ccccc2N1 ZINC000160576308 527027203 /nfs/dbraw/zinc/02/72/03/527027203.db2.gz RFVCQBDJKNPSCP-CZUORRHYSA-N 1 0 324.449 3.939 20 70 DHIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160354139 527195890 /nfs/dbraw/zinc/19/58/90/527195890.db2.gz KWHNCCJMDDUSDH-CJNGLKHVSA-N 1 0 324.428 3.615 20 70 DHIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159586178 527380924 /nfs/dbraw/zinc/38/09/24/527380924.db2.gz AMTXUWITPTYTAE-CZUORRHYSA-N 1 0 301.459 3.727 20 70 DHIDRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160613105 332837424 /nfs/dbraw/zinc/83/74/24/332837424.db2.gz NQKPXGIEDKPWOP-CQSZACIVSA-N 1 0 312.251 3.805 20 70 DHIDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OCC(C)C ZINC000160620681 332837682 /nfs/dbraw/zinc/83/76/82/332837682.db2.gz LRICHXIDRUVPRT-INIZCTEOSA-N 1 0 321.461 3.777 20 70 DHIDRO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000159814799 332708761 /nfs/dbraw/zinc/70/87/61/332708761.db2.gz QQDASJBMBWQRDE-MGPUTAFESA-N 1 0 318.424 3.996 20 70 DHIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159833944 332713833 /nfs/dbraw/zinc/71/38/33/332713833.db2.gz VIBHJUOHAAWKCM-HOTGVXAUSA-N 1 0 306.413 3.988 20 70 DHIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cccs1 ZINC000159853600 332716509 /nfs/dbraw/zinc/71/65/09/332716509.db2.gz NTBWSHOYERVHNI-QWHCGFSZSA-N 1 0 306.500 3.907 20 70 DHIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CCCC1 ZINC000160034468 332749145 /nfs/dbraw/zinc/74/91/45/332749145.db2.gz GLSLSAXXPOBOJN-CYBMUJFWSA-N 1 0 306.416 3.819 20 70 DHIDRO CC[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218207101 337082667 /nfs/dbraw/zinc/08/26/67/337082667.db2.gz JEFBNDNAXMFREK-MRXNPFEDSA-N 1 0 308.853 3.783 20 70 DHIDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046517 337324487 /nfs/dbraw/zinc/32/44/87/337324487.db2.gz CKQGLAWIBAQGCH-HNAYVOBHSA-N 1 0 314.473 3.812 20 70 DHIDRO CCN(C(=O)C[NH2+][C@@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000218066928 337324674 /nfs/dbraw/zinc/32/46/74/337324674.db2.gz LBBDYVHJAAPTQA-FQEVSTJZSA-N 1 0 314.473 3.909 20 70 DHIDRO COc1ccc([C@@H]([NH2+]CCOc2ccc(F)cc2)C2CC2)cc1 ZINC000218196623 337325365 /nfs/dbraw/zinc/32/53/65/337325365.db2.gz ZCACELJGYXMHKX-IBGZPJMESA-N 1 0 315.388 3.954 20 70 DHIDRO Cc1cccc([C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161443207 337584964 /nfs/dbraw/zinc/58/49/64/337584964.db2.gz FENLDPBJUYXFMB-WFASDCNBSA-N 1 0 301.352 3.691 20 70 DHIDRO O[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000218681003 340497685 /nfs/dbraw/zinc/49/76/85/340497685.db2.gz HYPQUKGDJHGTHE-NRFANRHFSA-N 1 0 317.432 3.969 20 70 DHIDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000161295267 519645608 /nfs/dbraw/zinc/64/56/08/519645608.db2.gz XELCAEGCIOCIMF-NNGSBXSVSA-N 1 0 318.461 3.572 20 70 DHIDRO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000160583556 519751157 /nfs/dbraw/zinc/75/11/57/519751157.db2.gz ZUSRLYZSZYBADK-QGZVFWFLSA-N 1 0 316.445 3.617 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2C)c1 ZINC000160189132 519898801 /nfs/dbraw/zinc/89/88/01/519898801.db2.gz ALJBHOGYYZALRH-MRXNPFEDSA-N 1 0 310.441 3.904 20 70 DHIDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000160886893 519972168 /nfs/dbraw/zinc/97/21/68/519972168.db2.gz PTKKWMFZGRSFSD-IAGOWNOFSA-N 1 0 314.477 3.635 20 70 DHIDRO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C[C@H]1CC=CCC1 ZINC000160242488 520355523 /nfs/dbraw/zinc/35/55/23/520355523.db2.gz ZQAKWCFBJCUPII-ZDUSSCGKSA-N 1 0 308.372 3.582 20 70 DHIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000160844757 521117482 /nfs/dbraw/zinc/11/74/82/521117482.db2.gz HTFILRHTCUOQFD-KRWDZBQOSA-N 1 0 312.413 3.640 20 70 DHIDRO CCOC(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)OCC ZINC000159544871 521630065 /nfs/dbraw/zinc/63/00/65/521630065.db2.gz ABZBXLVKQRQEPL-UHFFFAOYSA-N 1 0 305.340 3.584 20 70 DHIDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCC1=CCCC1 ZINC000160261996 521888689 /nfs/dbraw/zinc/88/86/89/521888689.db2.gz KUUFZAFCALNENN-UHFFFAOYSA-N 1 0 312.413 3.725 20 70 DHIDRO CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2cc(OC)cc(OC)c2)CC1 ZINC000160965752 521936184 /nfs/dbraw/zinc/93/61/84/521936184.db2.gz DNAZOIUWDDSDAL-GJZGRUSLSA-N 1 0 320.477 3.697 20 70 DHIDRO CC[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442346 522197802 /nfs/dbraw/zinc/19/78/02/522197802.db2.gz YFUZDFFOGGTFFV-GXTWGEPZSA-N 1 0 307.825 3.582 20 70 DHIDRO CC[C@H](C[NH2+][C@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160315092 522200286 /nfs/dbraw/zinc/20/02/86/522200286.db2.gz SOXXLRZRNSELAI-IUODEOHRSA-N 1 0 317.408 3.741 20 70 DHIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(Cl)c1F ZINC000161508790 522584718 /nfs/dbraw/zinc/58/47/18/522584718.db2.gz FFRNKDHXWCWHKZ-AWEZNQCLSA-N 1 0 312.816 3.532 20 70 DHIDRO C[N@H+](CCCc1nc(-c2ccccc2)no1)C(C1CC1)C1CC1 ZINC000159867730 522798683 /nfs/dbraw/zinc/79/86/83/522798683.db2.gz NTRJTJWNIKWKDM-UHFFFAOYSA-N 1 0 311.429 3.790 20 70 DHIDRO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000160875751 523181893 /nfs/dbraw/zinc/18/18/93/523181893.db2.gz VCRRMEDVFXQRFK-UHFFFAOYSA-N 1 0 311.385 3.619 20 70 DHIDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccccn2)n1 ZINC000159379709 524496644 /nfs/dbraw/zinc/49/66/44/524496644.db2.gz VTNSZHZOYBKZFT-MRXNPFEDSA-N 1 0 306.413 3.735 20 70 DHIDRO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000161044049 524830821 /nfs/dbraw/zinc/83/08/21/524830821.db2.gz NOCVRYNRLXZNRF-UGSOOPFHSA-N 1 0 312.388 3.508 20 70 DHIDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)n1 ZINC000160436410 524853842 /nfs/dbraw/zinc/85/38/42/524853842.db2.gz PJCJWDZCTAIZDO-FQEVSTJZSA-N 1 0 318.424 3.913 20 70 DHIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2C)n1 ZINC000160359117 524896240 /nfs/dbraw/zinc/89/62/40/524896240.db2.gz HGCCSOAFMXKRSX-MOPGFXCFSA-N 1 0 314.404 3.708 20 70 DHIDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)C(C)(C)c1ccccc1 ZINC000161417580 525291209 /nfs/dbraw/zinc/29/12/09/525291209.db2.gz MQGKMKSSHHAWOL-HNNXBMFYSA-N 1 0 303.446 3.628 20 70 DHIDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000160520730 525361134 /nfs/dbraw/zinc/36/11/34/525361134.db2.gz KSROQAZITYZSOZ-QKKBWIMNSA-N 1 0 319.495 3.867 20 70 DHIDRO Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160845020 525375379 /nfs/dbraw/zinc/37/53/79/525375379.db2.gz ZEJPAWWRKUYHKW-QGZVFWFLSA-N 1 0 324.424 3.512 20 70 DHIDRO C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccco1 ZINC000161125027 525608017 /nfs/dbraw/zinc/60/80/17/525608017.db2.gz XGKMXEMSDDBTNK-KBPBESRZSA-N 1 0 320.383 3.873 20 70 DHIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159538835 525610262 /nfs/dbraw/zinc/61/02/62/525610262.db2.gz OIBIHICOJYICEI-LRDDRELGSA-N 1 0 319.474 3.517 20 70 DHIDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000160701214 525626286 /nfs/dbraw/zinc/62/62/86/525626286.db2.gz ZPVUNJPEBYMEPA-ZBFHGGJFSA-N 1 0 314.454 3.762 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000160297248 525702155 /nfs/dbraw/zinc/70/21/55/525702155.db2.gz CAZDXUBEDPLGOJ-HIFRSBDPSA-N 1 0 313.532 3.952 20 70 DHIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576725 526303333 /nfs/dbraw/zinc/30/33/33/526303333.db2.gz RASDTMWBOFQFAO-PVAVHDDUSA-N 1 0 301.430 3.574 20 70 DHIDRO Cc1csc(CCCC[NH2+][C@H](C)c2cnn(C(C)C)c2)n1 ZINC000160704130 526340371 /nfs/dbraw/zinc/34/03/71/526340371.db2.gz ZKKHFIFGYHKTTO-CQSZACIVSA-N 1 0 306.479 3.902 20 70 DHIDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000161503024 526604483 /nfs/dbraw/zinc/60/44/83/526604483.db2.gz UFYWCNMLVUGSGS-CYBMUJFWSA-N 1 0 315.486 3.863 20 70 DHIDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000159368461 332079669 /nfs/dbraw/zinc/07/96/69/332079669.db2.gz IYWXZZMMKDIXNH-VIFPVBQESA-N 1 0 311.731 3.578 20 70 DHIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1OC(F)F ZINC000159644556 332683299 /nfs/dbraw/zinc/68/32/99/332683299.db2.gz OGBQZQNSGDMCLF-GXSJLCMTSA-N 1 0 305.365 3.973 20 70 DHIDRO CC[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160777769 333368219 /nfs/dbraw/zinc/36/82/19/333368219.db2.gz NGZPOGQHACMZPV-AVRDEDQJSA-N 1 0 317.454 3.544 20 70 DHIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000161138692 333818960 /nfs/dbraw/zinc/81/89/60/333818960.db2.gz HIPUDGDFDXMUFO-KBXCAEBGSA-N 1 0 302.462 3.739 20 70 DHIDRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000218213552 337082682 /nfs/dbraw/zinc/08/26/82/337082682.db2.gz VVWFWKMFWYQBIB-CJNGLKHVSA-N 1 0 308.853 3.639 20 70 DHIDRO CN1CCC([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000161507453 337590245 /nfs/dbraw/zinc/59/02/45/337590245.db2.gz DELPJFLLIHACJB-JOCHJYFZSA-N 1 0 322.496 3.914 20 70 DHIDRO CCCC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1cc(C)on1 ZINC000218275414 337939710 /nfs/dbraw/zinc/93/97/10/337939710.db2.gz WHQRQZNQWGIXJD-QEJZJMRPSA-N 1 0 307.438 3.649 20 70 DHIDRO CC(C)[C@@H](CC1CCCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159784797 338532374 /nfs/dbraw/zinc/53/23/74/338532374.db2.gz ANMTXLFRPRUCFN-LJQANCHMSA-N 1 0 320.521 3.830 20 70 DHIDRO CC(=O)NC1CCC([NH2+]CCCc2ccc(C(C)C)cc2)CC1 ZINC000161492557 519645043 /nfs/dbraw/zinc/64/50/43/519645043.db2.gz JHFPSWPTAVNQCG-UHFFFAOYSA-N 1 0 316.489 3.780 20 70 DHIDRO CC(C)[NH+](CCSCc1nc(-c2ccco2)no1)C(C)C ZINC000161051371 519650596 /nfs/dbraw/zinc/65/05/96/519650596.db2.gz MCCFPSIHRHYRQR-UHFFFAOYSA-N 1 0 309.435 3.682 20 70 DHIDRO CC(C)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161261888 519794856 /nfs/dbraw/zinc/79/48/56/519794856.db2.gz QIVKVDGBOLNAHY-GOSISDBHSA-N 1 0 303.446 3.702 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000160156917 519898714 /nfs/dbraw/zinc/89/87/14/519898714.db2.gz BCIAUAOTDILYNK-INIZCTEOSA-N 1 0 310.441 3.904 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(CC)cc2)c1 ZINC000160161746 519898901 /nfs/dbraw/zinc/89/89/01/519898901.db2.gz OOQXEZACCXUBKF-HNNXBMFYSA-N 1 0 310.441 3.850 20 70 DHIDRO CC(C)n1cc([C@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160417686 519977192 /nfs/dbraw/zinc/97/71/92/519977192.db2.gz MJIYPNXAQBNEPE-YJBOKZPZSA-N 1 0 306.498 3.625 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000160487711 520555896 /nfs/dbraw/zinc/55/58/96/520555896.db2.gz ZXWSZRXQOJIUEG-OAHLLOKOSA-N 1 0 319.836 3.777 20 70 DHIDRO CCOc1ccccc1[C@H](CC)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161392311 521589453 /nfs/dbraw/zinc/58/94/53/521589453.db2.gz XCHMDBLLHJCEJZ-KRWDZBQOSA-N 1 0 319.445 3.812 20 70 DHIDRO CCc1cc(N2CCC([NH2+][C@H](C)c3ccccc3C)CC2)ncn1 ZINC000159757491 523791225 /nfs/dbraw/zinc/79/12/25/523791225.db2.gz DZHLPWZQCSBAKD-MRXNPFEDSA-N 1 0 324.472 3.667 20 70 DHIDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159938295 523982300 /nfs/dbraw/zinc/98/23/00/523982300.db2.gz NAZONGSCHCAJGW-KDOFPFPSSA-N 1 0 319.470 3.575 20 70 DHIDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000160917977 524051530 /nfs/dbraw/zinc/05/15/30/524051530.db2.gz PNROAUGMTFYLDM-CQSZACIVSA-N 1 0 305.443 3.933 20 70 DHIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000159667567 524391807 /nfs/dbraw/zinc/39/18/07/524391807.db2.gz MNTKAUGKBMLXDZ-ZFWWWQNUSA-N 1 0 314.454 3.501 20 70 DHIDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCSC2)c1C ZINC000159569579 524605248 /nfs/dbraw/zinc/60/52/48/524605248.db2.gz LNXYKSXIXGMJKL-UKRRQHHQSA-N 1 0 306.475 3.506 20 70 DHIDRO C[C@@H]1C[C@@H]1[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000161294294 525333341 /nfs/dbraw/zinc/33/33/41/525333341.db2.gz QUICWAOVMVKNRG-PZPSRYQVSA-N 1 0 320.864 3.543 20 70 DHIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cc(F)cc(F)c1 ZINC000160640118 525384046 /nfs/dbraw/zinc/38/40/46/525384046.db2.gz VYOKFVYSCCJYOH-AAEUAGOBSA-N 1 0 316.351 3.741 20 70 DHIDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160594115 525539974 /nfs/dbraw/zinc/53/99/74/525539974.db2.gz RNLROQZYKYHONK-AFBRZQFHSA-N 1 0 306.409 3.636 20 70 DHIDRO Cc1ccsc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161503705 525822989 /nfs/dbraw/zinc/82/29/89/525822989.db2.gz CCSCTAMNTWEXLB-UHFFFAOYSA-N 1 0 320.502 3.829 20 70 DHIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000160500844 525927340 /nfs/dbraw/zinc/92/73/40/525927340.db2.gz NJWGGPXJLJCIIB-SFHVURJKSA-N 1 0 324.468 3.678 20 70 DHIDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000161454504 526053195 /nfs/dbraw/zinc/05/31/95/526053195.db2.gz VNHZYPOCMCONFG-KBPBESRZSA-N 1 0 322.880 3.680 20 70 DHIDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)CCn1cccn1)CC3 ZINC000159500676 526110997 /nfs/dbraw/zinc/11/09/97/526110997.db2.gz GZMQSQHEQVBWHU-CVEARBPZSA-N 1 0 322.456 3.599 20 70 DHIDRO CCC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000160393502 332789189 /nfs/dbraw/zinc/78/91/89/332789189.db2.gz HYLVKCZPSMASEX-HOTGVXAUSA-N 1 0 306.450 3.605 20 70 DHIDRO CC[NH2+]CC1CCN(C(=O)[C@H](CC2CCCC2)C(C)C)CC1 ZINC000161052207 332493101 /nfs/dbraw/zinc/49/31/01/332493101.db2.gz NQFLLHPQYWLMFT-GOSISDBHSA-N 1 0 308.510 3.687 20 70 DHIDRO [NH3+]CCCCCCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000159477198 332617725 /nfs/dbraw/zinc/61/77/25/332617725.db2.gz ZSBZDFJOBDIOTN-UHFFFAOYSA-N 1 0 306.454 3.695 20 70 DHIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 ZINC000159868430 332717447 /nfs/dbraw/zinc/71/74/47/332717447.db2.gz MPNZBGSWZLZFLM-KBPBESRZSA-N 1 0 310.376 3.818 20 70 DHIDRO Cc1ccc(C(=O)NC2CC[NH+](CCC3CCCC3)CC2)s1 ZINC000159891816 332723858 /nfs/dbraw/zinc/72/38/58/332723858.db2.gz FSTWLDOWFBQNMO-UHFFFAOYSA-N 1 0 320.502 3.831 20 70 DHIDRO CCOc1ccc([C@H](C)[NH2+]CCCc2nc(C(C)C)no2)cc1 ZINC000160825061 333669931 /nfs/dbraw/zinc/66/99/31/333669931.db2.gz BOKBRVWRDPWOLB-AWEZNQCLSA-N 1 0 317.433 3.875 20 70 DHIDRO COc1ccc(CC[C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000160983443 333768950 /nfs/dbraw/zinc/76/89/50/333768950.db2.gz ISFJGPKMPXSDBD-OXJNMPFZSA-N 1 0 313.441 3.730 20 70 DHIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2cccc(Cl)c2)CC1 ZINC000161381582 337581919 /nfs/dbraw/zinc/58/19/19/337581919.db2.gz DJOBUOBKRTUGQT-UHFFFAOYSA-N 1 0 322.880 3.655 20 70 DHIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc3ccccc32)cc1 ZINC000159849602 338533511 /nfs/dbraw/zinc/53/35/11/338533511.db2.gz SPHJBNGVJZDQON-UHFFFAOYSA-N 1 0 318.420 3.831 20 70 DHIDRO CC(=O)Nc1ccccc1C[NH2+]CCc1c[nH]c2c1cccc2C ZINC000160480146 519750485 /nfs/dbraw/zinc/75/04/85/519750485.db2.gz GHACUZDVXFBDCZ-UHFFFAOYSA-N 1 0 321.424 3.767 20 70 DHIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2)cn1 ZINC000160076082 519779836 /nfs/dbraw/zinc/77/98/36/519779836.db2.gz QMNLWQJZQVXTRC-GFCCVEGCSA-N 1 0 306.356 3.998 20 70 DHIDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022575 519799693 /nfs/dbraw/zinc/79/96/93/519799693.db2.gz IPRODEGHEMIJAC-YVEFUNNKSA-N 1 0 318.442 3.962 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000160589216 519903563 /nfs/dbraw/zinc/90/35/63/519903563.db2.gz AMTZKTMUXCUQRX-MGPUTAFESA-N 1 0 322.452 3.850 20 70 DHIDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000160887277 519977377 /nfs/dbraw/zinc/97/73/77/519977377.db2.gz PTKKWMFZGRSFSD-IRXDYDNUSA-N 1 0 314.477 3.635 20 70 DHIDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000160887014 519979324 /nfs/dbraw/zinc/97/93/24/519979324.db2.gz PTKKWMFZGRSFSD-SJORKVTESA-N 1 0 314.477 3.635 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC000160562840 520524526 /nfs/dbraw/zinc/52/45/26/520524526.db2.gz RYDALUYLUMDSEO-LBPRGKRZSA-N 1 0 305.315 3.892 20 70 DHIDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000160457395 520896954 /nfs/dbraw/zinc/89/69/54/520896954.db2.gz QYOFOUSCVXEHIL-YQQAZPJKSA-N 1 0 321.461 3.950 20 70 DHIDRO CCOc1ccccc1[C@@H](CC)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161392172 521576883 /nfs/dbraw/zinc/57/68/83/521576883.db2.gz SBXGJTKHKXNTCV-LEOMRAHMSA-N 1 0 318.461 3.573 20 70 DHIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)cc1)c1ccc(F)cc1 ZINC000160708981 522643286 /nfs/dbraw/zinc/64/32/86/522643286.db2.gz QCDVTLVUOTXNIR-SFHVURJKSA-N 1 0 314.404 3.768 20 70 DHIDRO CN1CCC([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000161495178 523779093 /nfs/dbraw/zinc/77/90/93/523779093.db2.gz CQHTZOHVGKLNRZ-HNNXBMFYSA-N 1 0 310.894 3.951 20 70 DHIDRO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3C)CC2)ncn1 ZINC000159757352 523790781 /nfs/dbraw/zinc/79/07/81/523790781.db2.gz DZHLPWZQCSBAKD-INIZCTEOSA-N 1 0 324.472 3.667 20 70 DHIDRO Cc1cccc(C(C)(C)NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000159644567 524229184 /nfs/dbraw/zinc/22/91/84/524229184.db2.gz HKHPRGQTTHGUEG-YJBOKZPZSA-N 1 0 310.441 3.682 20 70 DHIDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)CC2 ZINC000160051196 525577383 /nfs/dbraw/zinc/57/73/83/525577383.db2.gz DSDFDWQBVPBGOP-SFHVURJKSA-N 1 0 312.413 3.655 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160161744 525616755 /nfs/dbraw/zinc/61/67/55/525616755.db2.gz UHXZKAZCJUKXAJ-OLZOCXBDSA-N 1 0 313.401 3.975 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000160253774 525641530 /nfs/dbraw/zinc/64/15/30/525641530.db2.gz NOMZRZWEQBGGLU-JGVFFNPUSA-N 1 0 314.303 3.820 20 70 DHIDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)CCn1cccn1)CC3 ZINC000159500784 526110017 /nfs/dbraw/zinc/11/00/17/526110017.db2.gz GZMQSQHEQVBWHU-HZPDHXFCSA-N 1 0 322.456 3.599 20 70 DHIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159586444 527380937 /nfs/dbraw/zinc/38/09/37/527380937.db2.gz AMTXUWITPTYTAE-CJNGLKHVSA-N 1 0 301.459 3.727 20 70 DHIDRO CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000159382899 332082218 /nfs/dbraw/zinc/08/22/18/332082218.db2.gz TWPHDNAYHKYTEV-KGLIPLIRSA-N 1 0 324.456 3.667 20 70 DHIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000159410516 332093329 /nfs/dbraw/zinc/09/33/29/332093329.db2.gz BUMUXUNCOQRLOT-MELADBBJSA-N 1 0 324.415 3.795 20 70 DHIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000159811151 332707870 /nfs/dbraw/zinc/70/78/70/332707870.db2.gz MKYMOKPJGOYRJH-FUHWJXTLSA-N 1 0 314.473 3.827 20 70 DHIDRO C[C@@H](c1cccs1)N(C)Cc1nnc(-c2ccccc2)n1C ZINC000160800224 333368681 /nfs/dbraw/zinc/36/86/81/333368681.db2.gz UYXVEBPEODTVMY-ZDUSSCGKSA-N 1 0 312.442 3.737 20 70 DHIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000160975437 333729812 /nfs/dbraw/zinc/72/98/12/333729812.db2.gz WNICMDJOMPWGKW-OAHLLOKOSA-N 1 0 312.413 3.654 20 70 DHIDRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC000218213633 337082665 /nfs/dbraw/zinc/08/26/65/337082665.db2.gz VVWFWKMFWYQBIB-XJKSGUPXSA-N 1 0 308.853 3.639 20 70 DHIDRO CC[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218208063 337082674 /nfs/dbraw/zinc/08/26/74/337082674.db2.gz WPSSQVOHUQNHPJ-INIZCTEOSA-N 1 0 308.853 3.639 20 70 DHIDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218045943 337324607 /nfs/dbraw/zinc/32/46/07/337324607.db2.gz FODHUZQCBKHSHZ-OLMMMNRUSA-N 1 0 314.473 3.620 20 70 DHIDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc2ccccc21 ZINC000218169765 337325344 /nfs/dbraw/zinc/32/53/44/337325344.db2.gz ISRMAWMWQGPTCH-FUHWJXTLSA-N 1 0 321.420 3.930 20 70 DHIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)cc1OC ZINC000161242676 337575851 /nfs/dbraw/zinc/57/58/51/337575851.db2.gz XKXZGXURJALESQ-LSDHHAIUSA-N 1 0 321.461 3.950 20 70 DHIDRO Clc1ccccc1[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161335044 337581683 /nfs/dbraw/zinc/58/16/83/337581683.db2.gz GBFKXPLQTXMUCQ-SFHVURJKSA-N 1 0 322.880 3.589 20 70 DHIDRO Cc1cccc([C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161443057 337584986 /nfs/dbraw/zinc/58/49/86/337584986.db2.gz FENLDPBJUYXFMB-DOMZBBRYSA-N 1 0 301.352 3.691 20 70 DHIDRO Cc1cccc([C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161443470 337585046 /nfs/dbraw/zinc/58/50/46/337585046.db2.gz FENLDPBJUYXFMB-SWLSCSKDSA-N 1 0 301.352 3.691 20 70 DHIDRO C[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)c1ccc(F)cc1 ZINC000218029079 337924712 /nfs/dbraw/zinc/92/47/12/337924712.db2.gz OMEBVDBFGROLFC-OAHLLOKOSA-N 1 0 309.388 3.905 20 70 DHIDRO CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000218717671 337964442 /nfs/dbraw/zinc/96/44/42/337964442.db2.gz VEKKRZLMHBJQTR-XEZPLFJOSA-N 1 0 306.475 3.904 20 70 DHIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccccc1C(F)(F)F ZINC000160120721 338542827 /nfs/dbraw/zinc/54/28/27/338542827.db2.gz ASEDXXSCNGGQGR-LBPRGKRZSA-N 1 0 301.352 3.909 20 70 DHIDRO CC(C)(O)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000160596950 519361814 /nfs/dbraw/zinc/36/18/14/519361814.db2.gz QOPCFPDBJSJCMY-CYBMUJFWSA-N 1 0 302.443 3.548 20 70 DHIDRO CC(=O)NC1CCC([NH2+]CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000161243869 519644764 /nfs/dbraw/zinc/64/47/64/519644764.db2.gz WWPJFDODTOKPFG-UHFFFAOYSA-N 1 0 318.505 3.630 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000160636677 519903427 /nfs/dbraw/zinc/90/34/27/519903427.db2.gz QTHRAEHTTGBXQY-MRXNPFEDSA-N 1 0 310.441 3.986 20 70 DHIDRO CC1(C)CCC(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000160730928 520292076 /nfs/dbraw/zinc/29/20/76/520292076.db2.gz ZJBJHEXIPFWHLY-MRXNPFEDSA-N 1 0 306.494 3.537 20 70 DHIDRO CCCOc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000160519720 520308422 /nfs/dbraw/zinc/30/84/22/520308422.db2.gz GBRUCSSMKCXEEV-HNNXBMFYSA-N 1 0 307.434 3.531 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)s2)CCO1 ZINC000160484414 520524362 /nfs/dbraw/zinc/52/43/62/520524362.db2.gz PVLKOJZPQNEUAU-AWEZNQCLSA-N 1 0 302.443 3.857 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)CCO1 ZINC000160578983 520556450 /nfs/dbraw/zinc/55/64/50/520556450.db2.gz WFHDHCBRVLDMAO-CQSZACIVSA-N 1 0 302.443 3.857 20 70 DHIDRO CCOC(CCC[NH2+]Cc1cc(Cl)ccc1F)OCC ZINC000159896672 521627989 /nfs/dbraw/zinc/62/79/89/521627989.db2.gz MRXVRENYAOWBFI-UHFFFAOYSA-N 1 0 303.805 3.748 20 70 DHIDRO CC[C@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000160475487 522572623 /nfs/dbraw/zinc/57/26/23/522572623.db2.gz KQQIETXHBMBVDJ-INIZCTEOSA-N 1 0 301.459 3.786 20 70 DHIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)cc(Cl)c1 ZINC000159571342 525434332 /nfs/dbraw/zinc/43/43/32/525434332.db2.gz FYVYDDAVUJNIOB-LLVKDONJSA-N 1 0 315.244 3.657 20 70 DHIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(-c2ccccc2)o1 ZINC000159573508 525434723 /nfs/dbraw/zinc/43/47/23/525434723.db2.gz OSQRZDLBLCOORJ-OAHLLOKOSA-N 1 0 312.413 3.610 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160386211 525642591 /nfs/dbraw/zinc/64/25/91/525642591.db2.gz ZMVQRNUIECWKMG-TVQRCGJNSA-N 1 0 308.274 3.758 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160386340 525642521 /nfs/dbraw/zinc/64/25/21/525642521.db2.gz ZMVQRNUIECWKMG-NOZJJQNGSA-N 1 0 308.274 3.758 20 70 DHIDRO Cc1ccc(SCC[NH2+][C@@H](C)c2cnc(C)nc2C)cc1 ZINC000160782833 525659766 /nfs/dbraw/zinc/65/97/66/525659766.db2.gz OWXMPUGFUNMTPB-ZDUSSCGKSA-N 1 0 301.459 3.845 20 70 DHIDRO Cc1ccc(SCC[NH2+][C@H](C)c2cnc(C)nc2C)cc1 ZINC000160782953 525660911 /nfs/dbraw/zinc/66/09/11/525660911.db2.gz OWXMPUGFUNMTPB-CYBMUJFWSA-N 1 0 301.459 3.845 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000160428926 525698505 /nfs/dbraw/zinc/69/85/05/525698505.db2.gz ZOYBEABLMZRTFW-KSSFIOAISA-N 1 0 316.470 3.513 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000160391743 525698649 /nfs/dbraw/zinc/69/86/49/525698649.db2.gz QWDJXHGDPSVRMD-ZFWWWQNUSA-N 1 0 305.443 3.711 20 70 DHIDRO C[C@@](O)(C[NH2+][C@@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160075961 525776288 /nfs/dbraw/zinc/77/62/88/525776288.db2.gz SPAYFZRZTBTBPO-IAGOWNOFSA-N 1 0 319.495 3.576 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000161215658 525784019 /nfs/dbraw/zinc/78/40/19/525784019.db2.gz FTJZIDIIYAWXPK-ZDUSSCGKSA-N 1 0 320.820 3.712 20 70 DHIDRO COc1cccc(CCC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000160001330 525883880 /nfs/dbraw/zinc/88/38/80/525883880.db2.gz MYQPLMGHSBKQOX-MRXNPFEDSA-N 1 0 316.470 3.964 20 70 DHIDRO Cc1ccc(C(=O)CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000159767977 526045574 /nfs/dbraw/zinc/04/55/74/526045574.db2.gz YUALWKFZYUPNNA-IBGZPJMESA-N 1 0 314.473 3.518 20 70 DHIDRO Cc1csc(C(C)(C)[NH2+]CCC(=O)c2ccc(C)cc2)n1 ZINC000160570667 526321155 /nfs/dbraw/zinc/32/11/55/526321155.db2.gz VZEDSMXAKYFOLW-UHFFFAOYSA-N 1 0 302.443 3.858 20 70 DHIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000159528574 526973376 /nfs/dbraw/zinc/97/33/76/526973376.db2.gz ZVYAIUNVGFFYQW-QGZVFWFLSA-N 1 0 320.864 3.710 20 70 DHIDRO CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160138307 332764467 /nfs/dbraw/zinc/76/44/67/332764467.db2.gz SKYNHTQULFLAEY-ROUUACIJSA-N 1 0 300.446 3.661 20 70 DHIDRO C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160413698 332792230 /nfs/dbraw/zinc/79/22/30/332792230.db2.gz CUUFRLAWJPXEMV-IRXDYDNUSA-N 1 0 323.525 3.861 20 70 DHIDRO CC[N@H+](CCc1nccs1)Cc1ccc(F)c2cccnc12 ZINC000159399490 332088060 /nfs/dbraw/zinc/08/80/60/332088060.db2.gz FJCUWYPQWQLNOE-UHFFFAOYSA-N 1 0 315.417 3.895 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]CCOc2cccc(C)c2)cc1F ZINC000216769224 332201489 /nfs/dbraw/zinc/20/14/89/332201489.db2.gz QHYHAJIDWSFRLT-AWEZNQCLSA-N 1 0 303.377 3.872 20 70 DHIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1nnc2ccccn21 ZINC000159891203 332723212 /nfs/dbraw/zinc/72/32/12/332723212.db2.gz XPZSTMYJNLYJKQ-RAXLEYEMSA-N 1 0 312.804 3.576 20 70 DHIDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000216781347 336284773 /nfs/dbraw/zinc/28/47/73/336284773.db2.gz FUWWDAYDWQZGPY-LJQANCHMSA-N 1 0 315.413 3.824 20 70 DHIDRO COc1ccc([C@@H]([NH2+]CCOc2ccccc2F)C2CC2)cc1 ZINC000218196430 337325328 /nfs/dbraw/zinc/32/53/28/337325328.db2.gz STPIWMURKKOYPA-IBGZPJMESA-N 1 0 315.388 3.954 20 70 DHIDRO COc1ccc([C@H]([NH2+]CCOc2ccccc2F)C2CC2)cc1 ZINC000218196519 337325376 /nfs/dbraw/zinc/32/53/76/337325376.db2.gz STPIWMURKKOYPA-LJQANCHMSA-N 1 0 315.388 3.954 20 70 DHIDRO Cc1cccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000161487524 337588387 /nfs/dbraw/zinc/58/83/87/337588387.db2.gz ZDYVJJPNNWXWNJ-UHFFFAOYSA-N 1 0 314.473 3.768 20 70 DHIDRO CCC[C@H](C)CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161505057 337590112 /nfs/dbraw/zinc/59/01/12/337590112.db2.gz XPXFISLLOXHKLN-AOCRQIFASA-N 1 0 308.510 3.972 20 70 DHIDRO Cc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1OCCC(C)C ZINC000160453398 338551006 /nfs/dbraw/zinc/55/10/06/338551006.db2.gz MFJFUBSWDOGJAT-UHFFFAOYSA-N 1 0 318.461 3.748 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CCO1 ZINC000160541360 338552820 /nfs/dbraw/zinc/55/28/20/338552820.db2.gz UNBYVALFRGGFIR-LBPRGKRZSA-N 1 0 303.324 3.632 20 70 DHIDRO C[NH+](C)C1(CN[C@H](c2ccccc2)C(F)(F)F)CCCC1 ZINC000160889805 338569526 /nfs/dbraw/zinc/56/95/26/338569526.db2.gz AFWVUKKWAGLRLN-CQSZACIVSA-N 1 0 300.368 3.754 20 70 DHIDRO CC(C)(NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000159647501 519304737 /nfs/dbraw/zinc/30/47/37/519304737.db2.gz UQUIVISMOBMNFQ-SFESLNEESA-N 1 0 320.864 3.612 20 70 DHIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(=O)c2ccc(C)cc2)c1 ZINC000161437613 519748336 /nfs/dbraw/zinc/74/83/36/519748336.db2.gz SKFDWJBVDVAGKU-HNNXBMFYSA-N 1 0 324.424 3.877 20 70 DHIDRO CC(C)S(=O)(=O)CCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000160961170 519786714 /nfs/dbraw/zinc/78/67/14/519786714.db2.gz LITLOTKCPASBER-MRXNPFEDSA-N 1 0 311.491 3.577 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(C)c2C)c1 ZINC000160165162 519898707 /nfs/dbraw/zinc/89/87/07/519898707.db2.gz VTXPCCPDMCPQKD-INIZCTEOSA-N 1 0 310.441 3.904 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000160590492 519903306 /nfs/dbraw/zinc/90/33/06/519903306.db2.gz BDRWJQORWFQUIE-CYBMUJFWSA-N 1 0 302.443 3.739 20 70 DHIDRO CCCCOc1cccc(C[NH2+][C@H](C)c2cnn(CC)c2)c1 ZINC000160814363 520903330 /nfs/dbraw/zinc/90/33/30/520903330.db2.gz BOWCTMACAKLEJT-OAHLLOKOSA-N 1 0 301.434 3.933 20 70 DHIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1ccccn1 ZINC000160079309 520977569 /nfs/dbraw/zinc/97/75/69/520977569.db2.gz XGLGGCKOWZRVOC-KRWDZBQOSA-N 1 0 324.472 3.776 20 70 DHIDRO CC[N@H+](CCC1CCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160468921 521001011 /nfs/dbraw/zinc/00/10/11/521001011.db2.gz QNNKIKKAVFCNLL-UHFFFAOYSA-N 1 0 302.462 3.791 20 70 DHIDRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCCN1CC)CCC2 ZINC000161186439 522475153 /nfs/dbraw/zinc/47/51/53/522475153.db2.gz IFKQXJBIGAEKKB-KGLIPLIRSA-N 1 0 307.507 3.547 20 70 DHIDRO COC[C@H](Cc1ccccc1)[NH2+]CCCCc1nc(C)cs1 ZINC000160679101 522689205 /nfs/dbraw/zinc/68/92/05/522689205.db2.gz OGWCLSDSGNZDPB-KRWDZBQOSA-N 1 0 318.486 3.622 20 70 DHIDRO CC[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)cc1 ZINC000160854243 522828669 /nfs/dbraw/zinc/82/86/69/522828669.db2.gz PAPPIHJVRJXVJL-OAHLLOKOSA-N 1 0 320.433 3.748 20 70 DHIDRO CCn1cc([C@@H](C)[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cn1 ZINC000159831506 523455340 /nfs/dbraw/zinc/45/53/40/523455340.db2.gz YGZOMCKWVQRMNE-CQSZACIVSA-N 1 0 323.444 3.556 20 70 DHIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000161066524 523999930 /nfs/dbraw/zinc/99/99/30/523999930.db2.gz UZASJHADPBKSRE-MGPUTAFESA-N 1 0 322.452 3.992 20 70 DHIDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160057740 524779471 /nfs/dbraw/zinc/77/94/71/524779471.db2.gz KEXZKKKDTWFLQE-AWEZNQCLSA-N 1 0 300.402 3.728 20 70 DHIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2C)n1 ZINC000160358977 524852478 /nfs/dbraw/zinc/85/24/78/524852478.db2.gz HGCCSOAFMXKRSX-OALUTQOASA-N 1 0 314.404 3.708 20 70 DHIDRO C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)c1cnccn1 ZINC000161403744 524899566 /nfs/dbraw/zinc/89/95/66/524899566.db2.gz QKRFMZULCJCQPN-RYUDHWBXSA-N 1 0 320.234 3.521 20 70 DHIDRO Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160845146 525376540 /nfs/dbraw/zinc/37/65/40/525376540.db2.gz ZEJPAWWRKUYHKW-KRWDZBQOSA-N 1 0 324.424 3.512 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccco1 ZINC000160161868 525609046 /nfs/dbraw/zinc/60/90/46/525609046.db2.gz UHXZKAZCJUKXAJ-QWHCGFSZSA-N 1 0 313.401 3.975 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000160392000 525642269 /nfs/dbraw/zinc/64/22/69/525642269.db2.gz QWDJXHGDPSVRMD-DZGCQCFKSA-N 1 0 305.443 3.711 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000160429174 525643283 /nfs/dbraw/zinc/64/32/83/525643283.db2.gz ZOYBEABLMZRTFW-KBXCAEBGSA-N 1 0 316.470 3.513 20 70 DHIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000161349572 525898344 /nfs/dbraw/zinc/89/83/44/525898344.db2.gz OVQZEWABTIYMCV-JKSUJKDBSA-N 1 0 314.454 3.860 20 70 DHIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)n1 ZINC000160704008 526338604 /nfs/dbraw/zinc/33/86/04/526338604.db2.gz ZKKHFIFGYHKTTO-AWEZNQCLSA-N 1 0 306.479 3.902 20 70 DHIDRO OC1(C(F)(F)F)CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000159550463 527505296 /nfs/dbraw/zinc/50/52/96/527505296.db2.gz VQBHVIFSAQQVRA-UHFFFAOYSA-N 1 0 315.360 3.791 20 70 DHIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cncs1 ZINC000159841727 527543452 /nfs/dbraw/zinc/54/34/52/527543452.db2.gz KFPVZIIERPIXTN-ZDUSSCGKSA-N 1 0 312.442 3.796 20 70 DHIDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160467845 332803770 /nfs/dbraw/zinc/80/37/70/332803770.db2.gz ZIXYGKRWHCNSKE-SCRDCRAPSA-N 1 0 301.883 3.863 20 70 DHIDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OCC ZINC000160636318 332841014 /nfs/dbraw/zinc/84/10/14/332841014.db2.gz ZYXLEBDTQKILCN-OIISXLGYSA-N 1 0 321.461 3.686 20 70 DHIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000159401230 332614704 /nfs/dbraw/zinc/61/47/04/332614704.db2.gz CTVQRJWFOCCSPS-LPHOPBHVSA-N 1 0 315.461 3.710 20 70 DHIDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000159862937 332718445 /nfs/dbraw/zinc/71/84/45/332718445.db2.gz DUNZSBRSJYXOEB-RYUDHWBXSA-N 1 0 324.387 3.612 20 70 DHIDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](COC)C(C)C)cc1OC ZINC000160003774 332745766 /nfs/dbraw/zinc/74/57/66/332745766.db2.gz FEVWSLGBYMDYPU-ZBFHGGJFSA-N 1 0 309.450 3.806 20 70 DHIDRO CC[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000160757323 333505438 /nfs/dbraw/zinc/50/54/38/333505438.db2.gz LBLAUGLIZIPYKM-HNNXBMFYSA-N 1 0 302.443 3.691 20 70 DHIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OC(F)F ZINC000161057746 333792133 /nfs/dbraw/zinc/79/21/33/333792133.db2.gz GZDJJIDZBCXVCE-MJBXVCDLSA-N 1 0 312.404 3.811 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000160784891 334879525 /nfs/dbraw/zinc/87/95/25/334879525.db2.gz SPYHSRDPCAOJAH-OAHLLOKOSA-N 1 0 306.475 3.717 20 70 DHIDRO COc1ccc(OCC[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000216626172 336263626 /nfs/dbraw/zinc/26/36/26/336263626.db2.gz ZVLRWRSZEGFJQC-QGZVFWFLSA-N 1 0 315.438 3.901 20 70 DHIDRO CC(C)[C@H](NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000217141754 337245251 /nfs/dbraw/zinc/24/52/51/337245251.db2.gz NSSJIISJHCOJBF-IEZWGBDMSA-N 1 0 302.462 3.668 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000161212402 337571161 /nfs/dbraw/zinc/57/11/61/337571161.db2.gz BHLMTUSPCABAFG-INIZCTEOSA-N 1 0 314.429 3.676 20 70 DHIDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161404838 337584029 /nfs/dbraw/zinc/58/40/29/337584029.db2.gz VVBNWHXHJOMAHJ-LSDHHAIUSA-N 1 0 319.342 3.912 20 70 DHIDRO C[C@@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1cc2ccccc2o1 ZINC000216689508 337603187 /nfs/dbraw/zinc/60/31/87/337603187.db2.gz PSBCFKAAFRCHPC-LZWOXQAQSA-N 1 0 314.429 3.778 20 70 DHIDRO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cn(C)nc3C)oc21 ZINC000159633161 517736396 /nfs/dbraw/zinc/73/63/96/517736396.db2.gz JDVSKWKISJDLTC-CYBMUJFWSA-N 1 0 313.401 3.724 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CCO1 ZINC000160608154 520523374 /nfs/dbraw/zinc/52/33/74/520523374.db2.gz YKAARHLBTPORPA-LBPRGKRZSA-N 1 0 308.472 3.919 20 70 DHIDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000160724376 521224383 /nfs/dbraw/zinc/22/43/83/521224383.db2.gz LMVFOFUNILGMRJ-ZBFHGGJFSA-N 1 0 324.424 3.862 20 70 DHIDRO COC[C@@H](Cc1ccccc1)[NH2+]CCCCc1nc(C)cs1 ZINC000160679211 522310793 /nfs/dbraw/zinc/31/07/93/522310793.db2.gz OGWCLSDSGNZDPB-QGZVFWFLSA-N 1 0 318.486 3.622 20 70 DHIDRO CC[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000160475621 522820484 /nfs/dbraw/zinc/82/04/84/522820484.db2.gz KQQIETXHBMBVDJ-MRXNPFEDSA-N 1 0 301.459 3.786 20 70 DHIDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1SC ZINC000160590289 522907529 /nfs/dbraw/zinc/90/75/29/522907529.db2.gz PPNAYEYDZQAVRZ-YUELXQCFSA-N 1 0 309.475 3.619 20 70 DHIDRO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)s1 ZINC000161367375 524025390 /nfs/dbraw/zinc/02/53/90/524025390.db2.gz BYIHIYHVAWYSTF-WBMJQRKESA-N 1 0 305.443 3.703 20 70 DHIDRO CCc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000160666239 524046464 /nfs/dbraw/zinc/04/64/64/524046464.db2.gz XNJBBXBLANIDMQ-LBPRGKRZSA-N 1 0 319.401 3.719 20 70 DHIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000159491366 524381382 /nfs/dbraw/zinc/38/13/82/524381382.db2.gz RJIITRKYYHHXFU-ZHRRBRCNSA-N 1 0 315.482 3.934 20 70 DHIDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)s1 ZINC000160902694 524603403 /nfs/dbraw/zinc/60/34/03/524603403.db2.gz KMTGYEISTVLDOU-SNVBAGLBSA-N 1 0 323.849 3.612 20 70 DHIDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000159569961 524605674 /nfs/dbraw/zinc/60/56/74/524605674.db2.gz LNXYKSXIXGMJKL-ZFWWWQNUSA-N 1 0 306.475 3.506 20 70 DHIDRO Cc1ccc(C[C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c(C)c1 ZINC000161480693 524664091 /nfs/dbraw/zinc/66/40/91/524664091.db2.gz IDCOEKGGOVCIGU-MRXNPFEDSA-N 1 0 303.446 3.510 20 70 DHIDRO C[C@H]1C[C@@H]1[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000161294417 524854152 /nfs/dbraw/zinc/85/41/52/524854152.db2.gz QUICWAOVMVKNRG-ULFGMLNVSA-N 1 0 320.864 3.543 20 70 DHIDRO Cc1cccc([C@H]2CCCN2C(=O)CCCCCC[NH3+])c1C ZINC000160720753 524888914 /nfs/dbraw/zinc/88/89/14/524888914.db2.gz FOCOFHWGGIFGPS-GOSISDBHSA-N 1 0 302.462 3.876 20 70 DHIDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)n1 ZINC000160436539 524896598 /nfs/dbraw/zinc/89/65/98/524896598.db2.gz PJCJWDZCTAIZDO-HXUWFJFHSA-N 1 0 318.424 3.913 20 70 DHIDRO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000161043819 524943276 /nfs/dbraw/zinc/94/32/76/524943276.db2.gz NOCVRYNRLXZNRF-SCLBCKFNSA-N 1 0 312.388 3.508 20 70 DHIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1 ZINC000161104762 525562304 /nfs/dbraw/zinc/56/23/04/525562304.db2.gz FVIPZGMPGMBXRW-CFVMTHIKSA-N 1 0 303.475 3.820 20 70 DHIDRO C[C@H](C1CC1)[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000159684205 526207640 /nfs/dbraw/zinc/20/76/40/526207640.db2.gz IVEYBSKTZDDZBM-CYBMUJFWSA-N 1 0 314.454 3.648 20 70 DHIDRO Clc1ccccc1CN1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159555783 526986853 /nfs/dbraw/zinc/98/68/53/526986853.db2.gz TUEKYNCUNKHXMA-INIZCTEOSA-N 1 0 324.921 3.790 20 70 DHIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160354272 527196407 /nfs/dbraw/zinc/19/64/07/527196407.db2.gz KWHNCCJMDDUSDH-BBRMVZONSA-N 1 0 324.428 3.615 20 70 DHIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc1 ZINC000160322103 332784033 /nfs/dbraw/zinc/78/40/33/332784033.db2.gz NMMOIMSPDASMDT-CVEARBPZSA-N 1 0 323.440 3.933 20 70 DHIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)C2CCCC2)C1 ZINC000159361378 332080666 /nfs/dbraw/zinc/08/06/66/332080666.db2.gz SQAONOUJPQFGCI-MRXNPFEDSA-N 1 0 308.510 3.831 20 70 DHIDRO CC[N@H+](CCc1nccs1)Cc1ccc(OC)cc1Cl ZINC000159375293 332081203 /nfs/dbraw/zinc/08/12/03/332081203.db2.gz MROXHMQHAYMUTI-UHFFFAOYSA-N 1 0 310.850 3.870 20 70 DHIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000159401678 332614601 /nfs/dbraw/zinc/61/46/01/332614601.db2.gz CTVQRJWFOCCSPS-VQIMIIECSA-N 1 0 315.461 3.710 20 70 DHIDRO Cc1ccc([C@H](C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000159656256 332685604 /nfs/dbraw/zinc/68/56/04/332685604.db2.gz WOVRXIKRCFAEOW-APWZRJJASA-N 1 0 310.441 3.695 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 ZINC000159868666 332717414 /nfs/dbraw/zinc/71/74/14/332717414.db2.gz MPNZBGSWZLZFLM-KGLIPLIRSA-N 1 0 310.376 3.818 20 70 DHIDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)cc1F ZINC000161024763 333780948 /nfs/dbraw/zinc/78/09/48/333780948.db2.gz HZWALBQZFMXVGS-CXAGYDPISA-N 1 0 324.415 3.653 20 70 DHIDRO CCc1nc(C)c([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)s1 ZINC000161112901 333815518 /nfs/dbraw/zinc/81/55/18/333815518.db2.gz FRALPOSMKDDYFG-NSHDSACASA-N 1 0 318.442 3.636 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2C)cc1F ZINC000216769007 337226582 /nfs/dbraw/zinc/22/65/82/337226582.db2.gz GTIGVIOUPHWJJQ-AWEZNQCLSA-N 1 0 303.377 3.872 20 70 DHIDRO CCC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(OC)cc1 ZINC000161431855 337584658 /nfs/dbraw/zinc/58/46/58/337584658.db2.gz ZFLFHDOZGSEPGV-AZUAARDMSA-N 1 0 313.441 3.902 20 70 DHIDRO Cc1cccc([C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161443337 337584988 /nfs/dbraw/zinc/58/49/88/337584988.db2.gz FENLDPBJUYXFMB-IUODEOHRSA-N 1 0 301.352 3.691 20 70 DHIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccccc1C(F)(F)F ZINC000160120858 338542730 /nfs/dbraw/zinc/54/27/30/338542730.db2.gz ASEDXXSCNGGQGR-GFCCVEGCSA-N 1 0 301.352 3.909 20 70 DHIDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000160112176 338542819 /nfs/dbraw/zinc/54/28/19/338542819.db2.gz PIBTVFRMRRWHPE-LBPRGKRZSA-N 1 0 310.507 3.952 20 70 DHIDRO CCSCc1cccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000160425117 338550353 /nfs/dbraw/zinc/55/03/53/338550353.db2.gz ZGLRAKMMHLWJHO-AWEZNQCLSA-N 1 0 320.502 3.904 20 70 DHIDRO CC(C)[NH+](CCSCc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000161054103 519650401 /nfs/dbraw/zinc/65/04/01/519650401.db2.gz HOBDSLUZLOBESM-UHFFFAOYSA-N 1 0 322.518 3.740 20 70 DHIDRO CC(C)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161262005 519816030 /nfs/dbraw/zinc/81/60/30/519816030.db2.gz QIVKVDGBOLNAHY-SFHVURJKSA-N 1 0 303.446 3.702 20 70 DHIDRO CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000160281207 519839074 /nfs/dbraw/zinc/83/90/74/519839074.db2.gz SXRYOIHLOZCINH-IRXDYDNUSA-N 1 0 316.489 3.714 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CCO1 ZINC000160608027 520555701 /nfs/dbraw/zinc/55/57/01/520555701.db2.gz YKAARHLBTPORPA-GFCCVEGCSA-N 1 0 308.472 3.919 20 70 DHIDRO CCCC[NH+]1CCC(NC(=O)CC/C=C/c2ccccc2)CC1 ZINC000159625133 520570892 /nfs/dbraw/zinc/57/08/92/520570892.db2.gz XFDSFNDOIBBBTK-YRNVUSSQSA-N 1 0 314.473 3.861 20 70 DHIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cncs2)cc1 ZINC000160103506 520684358 /nfs/dbraw/zinc/68/43/58/520684358.db2.gz NIXFSKMMFYCIDY-ZDUSSCGKSA-N 1 0 317.458 3.524 20 70 DHIDRO CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000160457641 520897414 /nfs/dbraw/zinc/89/74/14/520897414.db2.gz QYOFOUSCVXEHIL-ZMSDIMECSA-N 1 0 321.461 3.950 20 70 DHIDRO CC[C@@H](C[NH2+][C@@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160321709 522551245 /nfs/dbraw/zinc/55/12/45/522551245.db2.gz GWQCZDAGNRMLEG-ZFWWWQNUSA-N 1 0 305.397 3.550 20 70 DHIDRO CC[C@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1F ZINC000160723824 522558941 /nfs/dbraw/zinc/55/89/41/522558941.db2.gz XMGOPSIRYANCQP-KRWDZBQOSA-N 1 0 324.415 3.653 20 70 DHIDRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C)nc2)cc1Cl ZINC000161314393 522833115 /nfs/dbraw/zinc/83/31/15/522833115.db2.gz VVTOEMXHRJRXDC-LBPRGKRZSA-N 1 0 320.820 3.911 20 70 DHIDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1OC(F)F ZINC000160587749 522864574 /nfs/dbraw/zinc/86/45/74/522864574.db2.gz MBRABSOENYKAIC-YUELXQCFSA-N 1 0 313.388 3.880 20 70 DHIDRO Cc1cccc(C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161385872 524230170 /nfs/dbraw/zinc/23/01/70/524230170.db2.gz JEHTZGIKFSGAPB-UHFFFAOYSA-N 1 0 303.446 3.548 20 70 DHIDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000160520851 525455192 /nfs/dbraw/zinc/45/51/92/525455192.db2.gz KSROQAZITYZSOZ-SZNDQCEHSA-N 1 0 319.495 3.867 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160385941 525699118 /nfs/dbraw/zinc/69/91/18/525699118.db2.gz ZMVQRNUIECWKMG-ZANVPECISA-N 1 0 308.274 3.758 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000161215755 525784849 /nfs/dbraw/zinc/78/48/49/525784849.db2.gz FTJZIDIIYAWXPK-CYBMUJFWSA-N 1 0 320.820 3.712 20 70 DHIDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000161454107 526021637 /nfs/dbraw/zinc/02/16/37/526021637.db2.gz VNHZYPOCMCONFG-ZIAGYGMSSA-N 1 0 322.880 3.680 20 70 DHIDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000161173402 526192057 /nfs/dbraw/zinc/19/20/57/526192057.db2.gz BTJZSESADODSKH-SFHVURJKSA-N 1 0 324.472 3.523 20 70 DHIDRO c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CCCO3)n2)c1 ZINC000160844537 526422999 /nfs/dbraw/zinc/42/29/99/526422999.db2.gz ANIJALGTNRJBRJ-INIZCTEOSA-N 1 0 313.401 3.574 20 70 DHIDRO c1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161430673 526497915 /nfs/dbraw/zinc/49/79/15/526497915.db2.gz XCIRZJGLOFBAOP-QZTJIDSGSA-N 1 0 301.430 3.598 20 70 DHIDRO Cc1occc1C[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000159569730 526822674 /nfs/dbraw/zinc/82/26/74/526822674.db2.gz VEGGZVHLIJCIGX-UHFFFAOYSA-N 1 0 311.385 3.703 20 70 DHIDRO CCC[C@@H]([NH2+][C@H](CC)C1CC1)C(=O)N1CCc2sccc2C1 ZINC000160201205 332775138 /nfs/dbraw/zinc/77/51/38/332775138.db2.gz KPBPBDGVTZYCHG-HZPDHXFCSA-N 1 0 320.502 3.580 20 70 DHIDRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000160239834 332780940 /nfs/dbraw/zinc/78/09/40/332780940.db2.gz SDUPTNJEJLSQJD-BRWVUGGUSA-N 1 0 306.494 3.582 20 70 DHIDRO CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)Oc1ccccc1Cl ZINC000160450449 332796770 /nfs/dbraw/zinc/79/67/70/332796770.db2.gz NLXLNADOHJLRAA-FMKPAKJESA-N 1 0 311.853 3.902 20 70 DHIDRO Cc1ccc(C)c([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000160850745 333670886 /nfs/dbraw/zinc/67/08/86/333670886.db2.gz XPMGRQMHVILYCB-KRWDZBQOSA-N 1 0 302.462 3.747 20 70 DHIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)cc1F ZINC000161024509 333782013 /nfs/dbraw/zinc/78/20/13/333782013.db2.gz HZWALBQZFMXVGS-SUMWQHHRSA-N 1 0 324.415 3.653 20 70 DHIDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc2ccccc21 ZINC000218169682 337325357 /nfs/dbraw/zinc/32/53/57/337325357.db2.gz ISRMAWMWQGPTCH-SJLPKXTDSA-N 1 0 321.420 3.930 20 70 DHIDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000218719464 337964419 /nfs/dbraw/zinc/96/44/19/337964419.db2.gz RRDYGAKEKUNZPJ-COPLHBTASA-N 1 0 312.816 3.974 20 70 DHIDRO CN(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1F)c1cccs1 ZINC000160669301 338561993 /nfs/dbraw/zinc/56/19/93/338561993.db2.gz SSEINUSRFZAHNQ-CQSZACIVSA-N 1 0 312.841 3.933 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2)c1 ZINC000160162035 519899619 /nfs/dbraw/zinc/89/96/19/519899619.db2.gz JXGWFZGYYYMNIC-LJQANCHMSA-N 1 0 310.441 3.986 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)CCO1 ZINC000160562731 520556231 /nfs/dbraw/zinc/55/62/31/520556231.db2.gz RYDALUYLUMDSEO-GFCCVEGCSA-N 1 0 305.315 3.892 20 70 DHIDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(Cl)o3)CC2)CC1 ZINC000161483348 520996573 /nfs/dbraw/zinc/99/65/73/520996573.db2.gz KVQYGRGZJJEFJB-UHFFFAOYSA-N 1 0 324.852 3.706 20 70 DHIDRO CC[N@H+](Cc1c(C)nc2ccccn21)[C@@H](C)c1cccc(O)c1 ZINC000160531433 521275295 /nfs/dbraw/zinc/27/52/95/521275295.db2.gz ISFVGOGRZMGYBJ-HNNXBMFYSA-N 1 0 309.413 3.931 20 70 DHIDRO CCOC(CC[NH2+]Cc1ccccc1C(F)(F)F)OCC ZINC000159544747 521630022 /nfs/dbraw/zinc/63/00/22/521630022.db2.gz JOKCVIVZJFOKBL-UHFFFAOYSA-N 1 0 305.340 3.584 20 70 DHIDRO CCC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000160480056 521680359 /nfs/dbraw/zinc/68/03/59/521680359.db2.gz JBEARKDDNDRHKD-UHFFFAOYSA-N 1 0 306.413 3.884 20 70 DHIDRO CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1ccc(OC)c(OC)c1 ZINC000161176458 522631764 /nfs/dbraw/zinc/63/17/64/522631764.db2.gz HYYGHTOKCRPXFU-SJORKVTESA-N 1 0 320.477 3.619 20 70 DHIDRO CC[C@@H]([NH2+]C1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1F ZINC000160723954 522810091 /nfs/dbraw/zinc/81/00/91/522810091.db2.gz XMGOPSIRYANCQP-QGZVFWFLSA-N 1 0 324.415 3.653 20 70 DHIDRO CCc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)o1 ZINC000160666095 524025115 /nfs/dbraw/zinc/02/51/15/524025115.db2.gz XNJBBXBLANIDMQ-GFCCVEGCSA-N 1 0 319.401 3.719 20 70 DHIDRO Cc1cccc([C@@H]2CCCN2C(=O)CCCCCC[NH3+])c1C ZINC000160720619 524844974 /nfs/dbraw/zinc/84/49/74/524844974.db2.gz FOCOFHWGGIFGPS-SFHVURJKSA-N 1 0 302.462 3.876 20 70 DHIDRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000161043934 525290486 /nfs/dbraw/zinc/29/04/86/525290486.db2.gz NOCVRYNRLXZNRF-ACJLOTCBSA-N 1 0 312.388 3.508 20 70 DHIDRO C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1cncs1 ZINC000160493222 525360453 /nfs/dbraw/zinc/36/04/53/525360453.db2.gz DLROWNRLMOOWNZ-JTQLQIEISA-N 1 0 316.348 3.892 20 70 DHIDRO Cc1ccc(OC2CC[NH+](Cc3cnc4ccccn34)CC2)cc1 ZINC000160481166 525375787 /nfs/dbraw/zinc/37/57/87/525375787.db2.gz SHAXIIZSCUDOLX-UHFFFAOYSA-N 1 0 321.424 3.686 20 70 DHIDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000160520602 525455137 /nfs/dbraw/zinc/45/51/37/525455137.db2.gz KSROQAZITYZSOZ-SPLOXXLWSA-N 1 0 319.495 3.867 20 70 DHIDRO C[C@@H]1C[C@H]1[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000161294542 525501162 /nfs/dbraw/zinc/50/11/62/525501162.db2.gz QUICWAOVMVKNRG-XHBKTUGNSA-N 1 0 320.864 3.543 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccc(N2CCOC2=O)c1 ZINC000160153536 525617399 /nfs/dbraw/zinc/61/73/99/525617399.db2.gz GNXZJQYQHREUJB-OLZOCXBDSA-N 1 0 300.358 3.648 20 70 DHIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnc2ccsc2c1 ZINC000161104860 525638178 /nfs/dbraw/zinc/63/81/78/525638178.db2.gz FVIPZGMPGMBXRW-YUELXQCFSA-N 1 0 303.475 3.820 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160386061 525700338 /nfs/dbraw/zinc/70/03/38/525700338.db2.gz ZMVQRNUIECWKMG-RNCFNFMXSA-N 1 0 308.274 3.758 20 70 DHIDRO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000160528204 526094771 /nfs/dbraw/zinc/09/47/71/526094771.db2.gz IJTKMNBEDCSQKA-JLSDUUJJSA-N 1 0 300.446 3.504 20 70 DHIDRO c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161430345 526491546 /nfs/dbraw/zinc/49/15/46/526491546.db2.gz XCIRZJGLOFBAOP-ROUUACIJSA-N 1 0 301.430 3.598 20 70 DHIDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000161503149 526606712 /nfs/dbraw/zinc/60/67/12/526606712.db2.gz UFYWCNMLVUGSGS-ZDUSSCGKSA-N 1 0 315.486 3.863 20 70 DHIDRO O=C1CCCN1C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000160683383 526976701 /nfs/dbraw/zinc/97/67/01/526976701.db2.gz MYOOZXLQRAVRHN-PMACEKPBSA-N 1 0 320.436 3.627 20 70 DHIDRO O=C1C[C@@H](C[NH2+][C@H]2CCSc3ccccc32)c2ccccc2N1 ZINC000160576457 527018274 /nfs/dbraw/zinc/01/82/74/527018274.db2.gz RFVCQBDJKNPSCP-BBRMVZONSA-N 1 0 324.449 3.939 20 70 DHIDRO Cn1cc(C[NH2+][C@@H]2CCCc3sccc32)c(-c2cccnc2)n1 ZINC000160956103 527221289 /nfs/dbraw/zinc/22/12/89/527221289.db2.gz WVZWCGUFPXHIAU-MRXNPFEDSA-N 1 0 324.453 3.711 20 70 DHIDRO Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159779000 527221816 /nfs/dbraw/zinc/22/18/16/527221816.db2.gz VJVDJGHULRGICU-CQSZACIVSA-N 1 0 309.335 3.606 20 70 DHIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160502451 332813319 /nfs/dbraw/zinc/81/33/19/332813319.db2.gz ZBLCORJNNVURDV-HNNXBMFYSA-N 1 0 320.502 3.548 20 70 DHIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159525894 332654662 /nfs/dbraw/zinc/65/46/62/332654662.db2.gz XUVGDMZMZZWZMW-KURKYZTESA-N 1 0 301.430 3.521 20 70 DHIDRO C[C@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159780966 332703916 /nfs/dbraw/zinc/70/39/16/332703916.db2.gz NYRAQOOBFOMBIN-NSHDSACASA-N 1 0 309.768 3.742 20 70 DHIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCc1c[nH]nc1C ZINC000159960294 332735711 /nfs/dbraw/zinc/73/57/11/332735711.db2.gz WKGRHTQUPSSAEM-RAXLEYEMSA-N 1 0 303.837 3.997 20 70 DHIDRO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(F)cc1F ZINC000160705135 333479176 /nfs/dbraw/zinc/47/91/76/333479176.db2.gz JCSJOMJKMVBQGK-MRXNPFEDSA-N 1 0 319.355 3.696 20 70 DHIDRO c1ccc(N2CCC([NH2+]C[C@H]3CCc4ccccc43)CC2)cc1 ZINC000160980143 333735977 /nfs/dbraw/zinc/73/59/77/333735977.db2.gz ONSVWRPAPUJKAK-GOSISDBHSA-N 1 0 306.453 3.975 20 70 DHIDRO Cn1ccnc1CC1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000160667461 334877686 /nfs/dbraw/zinc/87/76/86/334877686.db2.gz OWGHMIZOMLQUOM-UHFFFAOYSA-N 1 0 324.403 3.567 20 70 DHIDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000217967350 337323604 /nfs/dbraw/zinc/32/36/04/337323604.db2.gz YUYHTWOEEAGWHM-ILRDRHFLSA-N 1 0 314.473 3.811 20 70 DHIDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045344 337324520 /nfs/dbraw/zinc/32/45/20/337324520.db2.gz MNSRHCNYZHCIKU-KXBFYZLASA-N 1 0 314.473 3.907 20 70 DHIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000161505127 337590132 /nfs/dbraw/zinc/59/01/32/337590132.db2.gz BYRWLISSLKIIDB-SWLSCSKDSA-N 1 0 307.796 3.906 20 70 DHIDRO CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000160281330 519839757 /nfs/dbraw/zinc/83/97/57/519839757.db2.gz SXRYOIHLOZCINH-SJORKVTESA-N 1 0 316.489 3.714 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000160589355 519903567 /nfs/dbraw/zinc/90/35/67/519903567.db2.gz AMTZKTMUXCUQRX-QRWLVFNGSA-N 1 0 322.452 3.850 20 70 DHIDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000161500286 520256670 /nfs/dbraw/zinc/25/66/70/520256670.db2.gz QVJSDRAOEVIIJW-YJBOKZPZSA-N 1 0 302.462 3.581 20 70 DHIDRO CCCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000160519147 520375523 /nfs/dbraw/zinc/37/55/23/520375523.db2.gz DLIBXMXRVKCJEP-HNNXBMFYSA-N 1 0 307.434 3.531 20 70 DHIDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000159984137 520417022 /nfs/dbraw/zinc/41/70/22/520417022.db2.gz ABGGBQQJYOOFIH-IJEWVQPXSA-N 1 0 307.434 3.560 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)CCO1 ZINC000160587316 520523911 /nfs/dbraw/zinc/52/39/11/520523911.db2.gz BDRIDDHPFMCWBL-LBPRGKRZSA-N 1 0 305.315 3.892 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000160614735 520524684 /nfs/dbraw/zinc/52/46/84/520524684.db2.gz NQKHTTAVDBKRHH-HNNXBMFYSA-N 1 0 304.821 3.935 20 70 DHIDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)CCO1 ZINC000159937700 520527243 /nfs/dbraw/zinc/52/72/43/520527243.db2.gz VCABPTBJDRIZJM-DZGCQCFKSA-N 1 0 324.262 3.984 20 70 DHIDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000159402042 521371952 /nfs/dbraw/zinc/37/19/52/521371952.db2.gz RNNQZOBSQWJBPZ-FPTDNZKUSA-N 1 0 317.454 3.674 20 70 DHIDRO CC[C@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000159730100 522396192 /nfs/dbraw/zinc/39/61/92/522396192.db2.gz NMDIPVPWPVDVNU-PXAZEXFGSA-N 1 0 324.415 3.558 20 70 DHIDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc(Cl)c1F ZINC000161490967 522875423 /nfs/dbraw/zinc/87/54/23/522875423.db2.gz YCTHUHYEACYYFZ-OAHLLOKOSA-N 1 0 320.795 3.819 20 70 DHIDRO COCCC[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000161029019 523230405 /nfs/dbraw/zinc/23/04/05/523230405.db2.gz LLZZMQDKVNLUTK-UHFFFAOYSA-N 1 0 308.809 3.772 20 70 DHIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1F ZINC000160050400 525323124 /nfs/dbraw/zinc/32/31/24/525323124.db2.gz XBFGEXSPBLBBEU-ZDUSSCGKSA-N 1 0 318.392 3.867 20 70 DHIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cccnc1Cl ZINC000160119038 525350677 /nfs/dbraw/zinc/35/06/77/525350677.db2.gz QOSACLLVZWVHMM-ZDUSSCGKSA-N 1 0 321.827 3.657 20 70 DHIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(OC(F)F)c1 ZINC000161478013 525472457 /nfs/dbraw/zinc/47/24/57/525472457.db2.gz HVUWTVKTQNCIBA-CJNGLKHVSA-N 1 0 321.367 3.715 20 70 DHIDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccco1 ZINC000160153783 525662391 /nfs/dbraw/zinc/66/23/91/525662391.db2.gz GNXZJQYQHREUJB-CHWSQXEVSA-N 1 0 300.358 3.648 20 70 DHIDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000161433022 525726467 /nfs/dbraw/zinc/72/64/67/525726467.db2.gz UFCBOTSCZGLYOM-MRXNPFEDSA-N 1 0 316.489 3.930 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000160781997 525735860 /nfs/dbraw/zinc/73/58/60/525735860.db2.gz VJPITWMTVORDPK-HIFRSBDPSA-N 1 0 306.475 3.703 20 70 DHIDRO C[C@@](O)(C[NH2+][C@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160076245 525776586 /nfs/dbraw/zinc/77/65/86/525776586.db2.gz SPAYFZRZTBTBPO-DLBZAZTESA-N 1 0 319.495 3.576 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000161216683 525785338 /nfs/dbraw/zinc/78/53/38/525785338.db2.gz LXBKASFUCMZXHM-ZDUSSCGKSA-N 1 0 320.820 3.712 20 70 DHIDRO COc1cccc(CCC[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000159473579 525882854 /nfs/dbraw/zinc/88/28/54/525882854.db2.gz FIJWHDMLPCFIBC-UHFFFAOYSA-N 1 0 305.462 3.765 20 70 DHIDRO C[C@@H](Oc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000160958687 525962461 /nfs/dbraw/zinc/96/24/61/525962461.db2.gz RDCZBVJKVYMXFM-NVXWUHKLSA-N 1 0 324.424 3.765 20 70 DHIDRO C[C@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000159642988 526018872 /nfs/dbraw/zinc/01/88/72/526018872.db2.gz XUDRYBMJGRVAPB-SUMWQHHRSA-N 1 0 314.404 3.513 20 70 DHIDRO O=C1CCCN1C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000160683143 526977591 /nfs/dbraw/zinc/97/75/91/526977591.db2.gz MYOOZXLQRAVRHN-UXHICEINSA-N 1 0 320.436 3.627 20 70 DHIDRO Cc1ncc([C@@H](C)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c(C)n1 ZINC000160065298 527306976 /nfs/dbraw/zinc/30/69/76/527306976.db2.gz BUZXNIISFXJQCN-NVXWUHKLSA-N 1 0 316.493 3.541 20 70 DHIDRO CC[C@H](C[NH2+][C@H](C)C1CCOCC1)Oc1ccccc1Cl ZINC000160455339 332798127 /nfs/dbraw/zinc/79/81/27/332798127.db2.gz SHLUGLJCLBNQKJ-UKRRQHHQSA-N 1 0 311.853 3.902 20 70 DHIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000159379138 332081313 /nfs/dbraw/zinc/08/13/13/332081313.db2.gz BZFKFWQUIDPIIS-UHFFFAOYSA-N 1 0 322.456 3.563 20 70 DHIDRO CC(C)Oc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159497510 332191843 /nfs/dbraw/zinc/19/18/43/332191843.db2.gz MXFNJOGITYYDQO-KURKYZTESA-N 1 0 301.430 3.521 20 70 DHIDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000160022349 332747722 /nfs/dbraw/zinc/74/77/22/332747722.db2.gz YGWNVQWZEDRWAY-HOCLYGCPSA-N 1 0 309.450 3.806 20 70 DHIDRO CCCC1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000160672290 333472172 /nfs/dbraw/zinc/47/21/72/333472172.db2.gz BJHVOPBFLKNMNH-UHFFFAOYSA-N 1 0 300.446 3.593 20 70 DHIDRO CC[C@H]([NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1)[C@H]1CCOC1 ZINC000160829730 333670132 /nfs/dbraw/zinc/67/01/32/333670132.db2.gz NCTWPYFJYLNPON-SZMVWBNQSA-N 1 0 320.477 3.800 20 70 DHIDRO CC[C@H]([NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1)[C@@H]1CCOC1 ZINC000160829481 333670197 /nfs/dbraw/zinc/67/01/97/333670197.db2.gz NCTWPYFJYLNPON-JQHSSLGASA-N 1 0 320.477 3.800 20 70 DHIDRO Cc1cc(C)n2c(C[NH2+][C@@H]3CCCc4sccc43)cnc2n1 ZINC000160976234 333730296 /nfs/dbraw/zinc/73/02/96/333730296.db2.gz LJOPNIRCFGCORM-OAHLLOKOSA-N 1 0 312.442 3.575 20 70 DHIDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000216781396 336284864 /nfs/dbraw/zinc/28/48/64/336284864.db2.gz FUWWDAYDWQZGPY-IBGZPJMESA-N 1 0 315.413 3.824 20 70 DHIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1Cl ZINC000161457981 337586055 /nfs/dbraw/zinc/58/60/55/337586055.db2.gz MGACQOVMZUBNHL-JSGCOSHPSA-N 1 0 307.796 3.906 20 70 DHIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000161504994 337590189 /nfs/dbraw/zinc/59/01/89/337590189.db2.gz BYRWLISSLKIIDB-DOMZBBRYSA-N 1 0 307.796 3.906 20 70 DHIDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000218718965 337964487 /nfs/dbraw/zinc/96/44/87/337964487.db2.gz WDMOKDQLQNVCJR-NBOOPKSLSA-N 1 0 302.462 3.729 20 70 DHIDRO Cc1nn(C)cc1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000160210295 338545109 /nfs/dbraw/zinc/54/51/09/338545109.db2.gz COKJMYTUYWKOCO-UHFFFAOYSA-N 1 0 321.424 3.597 20 70 DHIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccccc2Cl)CC1 ZINC000161415803 519644463 /nfs/dbraw/zinc/64/44/63/519644463.db2.gz HZICCULFJVUDOS-UHFFFAOYSA-N 1 0 322.880 3.655 20 70 DHIDRO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000160798518 519786590 /nfs/dbraw/zinc/78/65/90/519786590.db2.gz TXEKICLPNCWPIU-INIZCTEOSA-N 1 0 323.502 3.500 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)c1 ZINC000160157045 519898577 /nfs/dbraw/zinc/89/85/77/519898577.db2.gz BCIAUAOTDILYNK-MRXNPFEDSA-N 1 0 310.441 3.904 20 70 DHIDRO CC(C)n1cc([C@@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160417569 519972248 /nfs/dbraw/zinc/97/22/48/519972248.db2.gz MJIYPNXAQBNEPE-QAPCUYQASA-N 1 0 306.498 3.625 20 70 DHIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnc(C(C)C)s1 ZINC000159526881 520628859 /nfs/dbraw/zinc/62/88/59/520628859.db2.gz AHONPAOFHJFLBS-CYBMUJFWSA-N 1 0 311.495 3.507 20 70 DHIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)c2cncs2)cc1 ZINC000160103681 520684810 /nfs/dbraw/zinc/68/48/10/520684810.db2.gz NIXFSKMMFYCIDY-CYBMUJFWSA-N 1 0 317.458 3.524 20 70 DHIDRO CCCCOc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000160835609 520903667 /nfs/dbraw/zinc/90/36/67/520903667.db2.gz VYEPOXRISOCIPY-SFHVURJKSA-N 1 0 313.445 3.766 20 70 DHIDRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000160433490 521898625 /nfs/dbraw/zinc/89/86/25/521898625.db2.gz BWVMAYPOOWVSIS-INIZCTEOSA-N 1 0 314.454 3.617 20 70 DHIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000161207024 522047746 /nfs/dbraw/zinc/04/77/46/522047746.db2.gz URYXPSXMNMCCNM-YJBOKZPZSA-N 1 0 302.462 3.514 20 70 DHIDRO CC[C@H](C[NH2+][C@@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441353 522198436 /nfs/dbraw/zinc/19/84/36/522198436.db2.gz OEAALQICFWMSAB-QWHCGFSZSA-N 1 0 305.809 3.638 20 70 DHIDRO CC[C@H](C[NH2+][C@@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160314872 522199430 /nfs/dbraw/zinc/19/94/30/522199430.db2.gz SOXXLRZRNSELAI-SWLSCSKDSA-N 1 0 317.408 3.741 20 70 DHIDRO CC[C@H]([NH2+]C1CCN(C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000161464890 522560690 /nfs/dbraw/zinc/56/06/90/522560690.db2.gz HAAQVHFQYUQXFF-FQEVSTJZSA-N 1 0 312.457 3.983 20 70 DHIDRO CC[C@@H]([NH2+]CCCS(=O)(=O)C(C)C)c1ccc(Cl)cc1 ZINC000160652830 522831454 /nfs/dbraw/zinc/83/14/54/522831454.db2.gz WMNGKKKYQUQVOT-OAHLLOKOSA-N 1 0 317.882 3.594 20 70 DHIDRO CCn1cc([C@H](C)[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cn1 ZINC000159831635 523471895 /nfs/dbraw/zinc/47/18/95/523471895.db2.gz YGZOMCKWVQRMNE-AWEZNQCLSA-N 1 0 323.444 3.556 20 70 DHIDRO CC[C@@](C)([NH2+]CCC(=O)c1ccc(C)cc1)c1nccs1 ZINC000160608809 523657920 /nfs/dbraw/zinc/65/79/20/523657920.db2.gz HMTKAKMIVRMBNE-QGZVFWFLSA-N 1 0 302.443 3.939 20 70 DHIDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159978723 523853491 /nfs/dbraw/zinc/85/34/91/523853491.db2.gz NQSSCLPDZPQLLQ-CXAGYDPISA-N 1 0 305.443 3.623 20 70 DHIDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000159569829 524604900 /nfs/dbraw/zinc/60/49/00/524604900.db2.gz LNXYKSXIXGMJKL-HIFRSBDPSA-N 1 0 306.475 3.506 20 70 DHIDRO Cc1cccc2c1CC[C@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161138200 524942658 /nfs/dbraw/zinc/94/26/58/524942658.db2.gz RFWKKZADVNPENJ-GOSISDBHSA-N 1 0 324.472 3.523 20 70 DHIDRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 ZINC000161404703 525323951 /nfs/dbraw/zinc/32/39/51/525323951.db2.gz SHJRWSGPRZQDHW-HNNXBMFYSA-N 1 0 302.462 3.622 20 70 DHIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(-c2ccncc2)c1 ZINC000160656204 525413199 /nfs/dbraw/zinc/41/31/99/525413199.db2.gz ZOOOUXUJEYQLRH-BEVDRBHNSA-N 1 0 310.441 3.950 20 70 DHIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483468 525473005 /nfs/dbraw/zinc/47/30/05/525473005.db2.gz XBEKLDGABKYIIZ-RISCZKNCSA-N 1 0 309.331 3.531 20 70 DHIDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1 ZINC000159795883 525547722 /nfs/dbraw/zinc/54/77/22/525547722.db2.gz UWZPNYFDLQRTBC-SECBINFHSA-N 1 0 317.742 3.943 20 70 DHIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)CC2 ZINC000160742228 525579265 /nfs/dbraw/zinc/57/92/65/525579265.db2.gz NNILDBJMEVDLKN-PMACEKPBSA-N 1 0 311.425 3.786 20 70 DHIDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)CC2 ZINC000160051068 525588324 /nfs/dbraw/zinc/58/83/24/525588324.db2.gz DSDFDWQBVPBGOP-GOSISDBHSA-N 1 0 312.413 3.655 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000160782243 525735938 /nfs/dbraw/zinc/73/59/38/525735938.db2.gz VJPITWMTVORDPK-UKRRQHHQSA-N 1 0 306.475 3.703 20 70 DHIDRO Cc1ccc([C@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)o1 ZINC000160037576 525918620 /nfs/dbraw/zinc/91/86/20/525918620.db2.gz HDZGYKPDJDMWQG-ZDUSSCGKSA-N 1 0 318.383 3.903 20 70 DHIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000159853241 527543008 /nfs/dbraw/zinc/54/30/08/527543008.db2.gz PIPOBVINYQHEFL-ZDUSSCGKSA-N 1 0 324.403 3.874 20 70 DHIDRO CC(C)n1cc([C@@H](C)[NH2+]CCOc2cccc(Cl)c2)cn1 ZINC000160261902 332782343 /nfs/dbraw/zinc/78/23/43/332782343.db2.gz QZWYTEXXHZOTGY-CYBMUJFWSA-N 1 0 307.825 3.847 20 70 DHIDRO C[C@@H]([NH2+]CC(C)(C)O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000160620651 332837621 /nfs/dbraw/zinc/83/76/21/332837621.db2.gz PMQHWAMKIKIKIC-ZJUUUORDSA-N 1 0 306.233 3.510 20 70 DHIDRO CC(C)(O)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000160646761 332842603 /nfs/dbraw/zinc/84/26/03/332842603.db2.gz HYMUGMDZZGIWSZ-ZDUSSCGKSA-N 1 0 320.433 3.687 20 70 DHIDRO Fc1ccc(NC2CC[NH+](Cc3cnc4ccccn34)CC2)cc1 ZINC000159507254 332445014 /nfs/dbraw/zinc/44/50/14/332445014.db2.gz HRQCSJKNPXYVIV-UHFFFAOYSA-N 1 0 324.403 3.550 20 70 DHIDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159833795 332713829 /nfs/dbraw/zinc/71/38/29/332713829.db2.gz VIBHJUOHAAWKCM-JKSUJKDBSA-N 1 0 306.413 3.988 20 70 DHIDRO CCOc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000160683498 333476351 /nfs/dbraw/zinc/47/63/51/333476351.db2.gz ZPRBSWZFMIDNFY-UHFFFAOYSA-N 1 0 312.413 3.708 20 70 DHIDRO CCc1c(C)[nH+]c2ccccc2c1N1CCC(n2ccnn2)CC1 ZINC000160193523 334868905 /nfs/dbraw/zinc/86/89/05/334868905.db2.gz HMCUASUTFCGUKG-UHFFFAOYSA-N 1 0 321.428 3.539 20 70 DHIDRO CCOc1cc(Cl)ccc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000161502870 334890482 /nfs/dbraw/zinc/89/04/82/334890482.db2.gz UKKWZPXBKMRENQ-STQMWFEESA-N 1 0 324.852 3.703 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)CCO1 ZINC000160541271 338552831 /nfs/dbraw/zinc/55/28/31/338552831.db2.gz UNBYVALFRGGFIR-GFCCVEGCSA-N 1 0 303.324 3.632 20 70 DHIDRO CC(C)[C@H]([NH2+][C@@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022437 519821488 /nfs/dbraw/zinc/82/14/88/519821488.db2.gz IPRODEGHEMIJAC-SJCJKPOMSA-N 1 0 318.442 3.962 20 70 DHIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2sccc2C)c1 ZINC000160178704 519899284 /nfs/dbraw/zinc/89/92/84/519899284.db2.gz DJQXZDZDGZIVJX-CYBMUJFWSA-N 1 0 302.443 3.657 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c1 ZINC000160620121 519903406 /nfs/dbraw/zinc/90/34/06/519903406.db2.gz FBSDKBQEIALPOE-HXUWFJFHSA-N 1 0 322.452 3.912 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccc(C)cc32)c1 ZINC000160620246 519903697 /nfs/dbraw/zinc/90/36/97/519903697.db2.gz FBSDKBQEIALPOE-FQEVSTJZSA-N 1 0 322.452 3.912 20 70 DHIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc(C(C)C)cc2)CC1 ZINC000161138467 519914407 /nfs/dbraw/zinc/91/44/07/519914407.db2.gz VUYAGANHFPIRTF-UHFFFAOYSA-N 1 0 316.489 3.591 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000160509564 520555001 /nfs/dbraw/zinc/55/50/01/520555001.db2.gz RGAFQUPGIFDWRH-GFCCVEGCSA-N 1 0 303.324 3.632 20 70 DHIDRO CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc2c(c1)CCO2 ZINC000159419368 522889158 /nfs/dbraw/zinc/88/91/58/522889158.db2.gz RJFHTMJNOZVSBE-QGZVFWFLSA-N 1 0 307.397 3.510 20 70 DHIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2)s1 ZINC000159601766 524342391 /nfs/dbraw/zinc/34/23/91/524342391.db2.gz CHFXRPXPSZBUMP-DZGCQCFKSA-N 1 0 314.454 3.501 20 70 DHIDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1=C(C)OCCC1 ZINC000160348543 524444080 /nfs/dbraw/zinc/44/40/80/524444080.db2.gz DMINAURRKVYJIG-UHFFFAOYSA-N 1 0 314.429 3.614 20 70 DHIDRO COc1ccc([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000160462404 525146959 /nfs/dbraw/zinc/14/69/59/525146959.db2.gz LWMKEYOGFJWATM-CQSZACIVSA-N 1 0 320.452 3.892 20 70 DHIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CCCO)c1ccccc1)CC2 ZINC000160742362 525591560 /nfs/dbraw/zinc/59/15/60/525591560.db2.gz NNILDBJMEVDLKN-WOJBJXKFSA-N 1 0 311.425 3.786 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000160429313 525643014 /nfs/dbraw/zinc/64/30/14/525643014.db2.gz ZOYBEABLMZRTFW-RDTXWAMCSA-N 1 0 316.470 3.513 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000160283015 525643076 /nfs/dbraw/zinc/64/30/76/525643076.db2.gz HCKYUQCTWZGCRJ-GXSJLCMTSA-N 1 0 308.274 3.758 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000160297371 525700188 /nfs/dbraw/zinc/70/01/88/525700188.db2.gz CAZDXUBEDPLGOJ-ZFWWWQNUSA-N 1 0 313.532 3.952 20 70 DHIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000161210154 525784209 /nfs/dbraw/zinc/78/42/09/525784209.db2.gz IJMQJGQSXJEHAT-ZDUSSCGKSA-N 1 0 320.820 3.712 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccco3)CC2)cc1 ZINC000161010224 526084252 /nfs/dbraw/zinc/08/42/52/526084252.db2.gz FEUSZMZXRJIHTP-HNNXBMFYSA-N 1 0 312.413 3.543 20 70 DHIDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)CCCO2 ZINC000161497852 526191415 /nfs/dbraw/zinc/19/14/15/526191415.db2.gz LPRPDXQTFNJZHR-HKUYNNGSSA-N 1 0 311.425 3.574 20 70 DHIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1cncs1 ZINC000159841827 527543408 /nfs/dbraw/zinc/54/34/08/527543408.db2.gz KFPVZIIERPIXTN-CYBMUJFWSA-N 1 0 312.442 3.796 20 70 DHIDRO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160496296 332810988 /nfs/dbraw/zinc/81/09/88/332810988.db2.gz PJENHHGWQHSIMD-GOSISDBHSA-N 1 0 319.493 3.613 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000160576198 332829554 /nfs/dbraw/zinc/82/95/54/332829554.db2.gz WZUFLTYVZKBTJH-CYBMUJFWSA-N 1 0 317.351 3.675 20 70 DHIDRO CC(C)(O)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000160646677 332842579 /nfs/dbraw/zinc/84/25/79/332842579.db2.gz HYMUGMDZZGIWSZ-CYBMUJFWSA-N 1 0 320.433 3.687 20 70 DHIDRO C[C@@H](N[C@H](C)c1cccc(F)c1F)C(=O)Nc1ccccc1 ZINC000159410087 332093293 /nfs/dbraw/zinc/09/32/93/332093293.db2.gz ORHSABBOCUQCGA-VXGBXAGGSA-N 1 0 304.340 3.643 20 70 DHIDRO C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161038074 332466811 /nfs/dbraw/zinc/46/68/11/332466811.db2.gz OEWRNXJDLOFRIL-CVEARBPZSA-N 1 0 310.441 3.729 20 70 DHIDRO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cn(C)nc3C)oc21 ZINC000159633311 332681212 /nfs/dbraw/zinc/68/12/12/332681212.db2.gz JDVSKWKISJDLTC-ZDUSSCGKSA-N 1 0 313.401 3.724 20 70 DHIDRO C[NH+](C)Cc1ccc(CNC(=O)C2CCC(C)(C)CC2)cc1 ZINC000159639368 332681532 /nfs/dbraw/zinc/68/15/32/332681532.db2.gz DZMJQZDSNYZQOZ-UHFFFAOYSA-N 1 0 302.462 3.581 20 70 DHIDRO CC[C@@H]([NH2+]Cc1cn(C)nc1C)c1ccccc1OC(F)F ZINC000159958296 332735705 /nfs/dbraw/zinc/73/57/05/332735705.db2.gz CUCIKNUACYAANM-CQSZACIVSA-N 1 0 309.360 3.571 20 70 DHIDRO CCn1cc([C@H](C)[NH2+]CCSc2ccc(Cl)cc2)cn1 ZINC000160045144 332752471 /nfs/dbraw/zinc/75/24/71/332752471.db2.gz BINSKGVRZVNTMO-LBPRGKRZSA-N 1 0 309.866 3.999 20 70 DHIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[C@]1(C)CC ZINC000160738228 333483019 /nfs/dbraw/zinc/48/30/19/333483019.db2.gz VBNVIXNGVJVWQD-BEFAXECRSA-N 1 0 318.461 3.782 20 70 DHIDRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CCCC1 ZINC000160767865 333655829 /nfs/dbraw/zinc/65/58/29/333655829.db2.gz HIKAUJMXPUODME-CRAIPNDOSA-N 1 0 300.446 3.518 20 70 DHIDRO CC[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H]1CCOC1 ZINC000161033973 333787423 /nfs/dbraw/zinc/78/74/23/333787423.db2.gz NJVKKDPQSOFTPC-TXPKVOOTSA-N 1 0 319.445 3.560 20 70 DHIDRO CC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CCCCC1 ZINC000161188328 334074316 /nfs/dbraw/zinc/07/43/16/334074316.db2.gz XGUVCXCJYQQYRL-QGZVFWFLSA-N 1 0 318.509 3.886 20 70 DHIDRO CC[NH2+]CC1CCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000161144353 334884386 /nfs/dbraw/zinc/88/43/86/334884386.db2.gz NGPCKJDEZTZSTP-DOTOQJQBSA-N 1 0 308.510 3.687 20 70 DHIDRO CC[C@H]([NH2+]CCOc1ccccc1F)c1ccc(OC)cc1 ZINC000216780826 337226730 /nfs/dbraw/zinc/22/67/30/337226730.db2.gz JIQHVBSKDDOHHX-KRWDZBQOSA-N 1 0 303.377 3.954 20 70 DHIDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045438 337324542 /nfs/dbraw/zinc/32/45/42/337324542.db2.gz MNSRHCNYZHCIKU-DNVCBOLYSA-N 1 0 314.473 3.907 20 70 DHIDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000159453960 519745937 /nfs/dbraw/zinc/74/59/37/519745937.db2.gz GUFNZTXVJVSEHZ-HNNXBMFYSA-N 1 0 312.413 3.683 20 70 DHIDRO CC(C)Sc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159535790 519788220 /nfs/dbraw/zinc/78/82/20/519788220.db2.gz GKCBFZPSPKVLBA-HNNXBMFYSA-N 1 0 320.502 3.850 20 70 DHIDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000159984410 520417596 /nfs/dbraw/zinc/41/75/96/520417596.db2.gz ABGGBQQJYOOFIH-IIAWOOMASA-N 1 0 307.434 3.560 20 70 DHIDRO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1ccco1 ZINC000160301159 520701968 /nfs/dbraw/zinc/70/19/68/520701968.db2.gz OWFCDHBHXTXLJS-INIZCTEOSA-N 1 0 316.445 3.851 20 70 DHIDRO CCC1(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000159433034 521702975 /nfs/dbraw/zinc/70/29/75/521702975.db2.gz CJPOBGRKHHJJQQ-UHFFFAOYSA-N 1 0 314.473 3.595 20 70 DHIDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cnc3ccccn23)c1 ZINC000160491809 522285025 /nfs/dbraw/zinc/28/50/25/522285025.db2.gz ZVOYPCHNQWMTLZ-IBGZPJMESA-N 1 0 320.440 3.737 20 70 DHIDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1OC(F)F ZINC000160587643 522631746 /nfs/dbraw/zinc/63/17/46/522631746.db2.gz MBRABSOENYKAIC-SNPRPXQTSA-N 1 0 313.388 3.880 20 70 DHIDRO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)s1 ZINC000161367776 524045405 /nfs/dbraw/zinc/04/54/05/524045405.db2.gz BYIHIYHVAWYSTF-BLLLJJGKSA-N 1 0 305.443 3.703 20 70 DHIDRO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000160934574 524273214 /nfs/dbraw/zinc/27/32/14/524273214.db2.gz RXMMLBSYPJNAOX-UHFFFAOYSA-N 1 0 321.424 3.855 20 70 DHIDRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000160701096 525541491 /nfs/dbraw/zinc/54/14/91/525541491.db2.gz ZPVUNJPEBYMEPA-HOCLYGCPSA-N 1 0 314.454 3.762 20 70 DHIDRO Cc1cc2cc([C@@H](C)[NH2+]CCCN3CCCC3=O)oc2cc1C ZINC000159487773 525647602 /nfs/dbraw/zinc/64/76/02/525647602.db2.gz BSVKRKPCEHRERG-OAHLLOKOSA-N 1 0 314.429 3.713 20 70 DHIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000159538950 525679054 /nfs/dbraw/zinc/67/90/54/525679054.db2.gz OIBIHICOJYICEI-WBMJQRKESA-N 1 0 319.474 3.517 20 70 DHIDRO Cc1ccc([C@@H](C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000159657812 525682575 /nfs/dbraw/zinc/68/25/75/525682575.db2.gz AGGNQYZQKVVUSQ-BXWFABGCSA-N 1 0 310.441 3.551 20 70 DHIDRO Cc1ccc([C@@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000159658119 525683055 /nfs/dbraw/zinc/68/30/55/525683055.db2.gz AGGNQYZQKVVUSQ-FCEWJHQRSA-N 1 0 310.441 3.551 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000160429055 525701350 /nfs/dbraw/zinc/70/13/50/525701350.db2.gz ZOYBEABLMZRTFW-KDOFPFPSSA-N 1 0 316.470 3.513 20 70 DHIDRO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000160528077 526087313 /nfs/dbraw/zinc/08/73/13/526087313.db2.gz IJTKMNBEDCSQKA-WBAXXEDZSA-N 1 0 300.446 3.504 20 70 DHIDRO C[C@@H](c1ccccn1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000160060977 526116057 /nfs/dbraw/zinc/11/60/57/526116057.db2.gz FKHFLWXALLELCV-INIZCTEOSA-N 1 0 318.424 3.513 20 70 DHIDRO C[C@H](c1ccccn1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000160061117 526125308 /nfs/dbraw/zinc/12/53/08/526125308.db2.gz FKHFLWXALLELCV-MRXNPFEDSA-N 1 0 318.424 3.513 20 70 DHIDRO c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161430457 526497433 /nfs/dbraw/zinc/49/74/33/526497433.db2.gz XCIRZJGLOFBAOP-MSOLQXFVSA-N 1 0 301.430 3.598 20 70 DHIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160544035 527195361 /nfs/dbraw/zinc/19/53/61/527195361.db2.gz LGGJNSKZRUNYHB-BBRMVZONSA-N 1 0 322.412 3.512 20 70 DHIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000159853337 527542686 /nfs/dbraw/zinc/54/26/86/527542686.db2.gz PIPOBVINYQHEFL-CYBMUJFWSA-N 1 0 324.403 3.874 20 70 DHIDRO FC(F)(F)c1ccccc1C[N@H+](CCn1ccnc1)C1CC1 ZINC000159759556 527687222 /nfs/dbraw/zinc/68/72/22/527687222.db2.gz YOZZRJHQSDYXRE-UHFFFAOYSA-N 1 0 309.335 3.567 20 70 DHIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000160199331 332774776 /nfs/dbraw/zinc/77/47/76/332774776.db2.gz ZQIVRVQEWBYGCI-ZFWWWQNUSA-N 1 0 307.459 3.814 20 70 DHIDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OCC ZINC000160636429 332841050 /nfs/dbraw/zinc/84/10/50/332841050.db2.gz ZYXLEBDTQKILCN-UAGQMJEPSA-N 1 0 321.461 3.686 20 70 DHIDRO CC[N@H+](CCOc1ccc(SC)cc1)CCc1nccs1 ZINC000159381784 332082019 /nfs/dbraw/zinc/08/20/19/332082019.db2.gz XZZIVTMPJHGUKK-UHFFFAOYSA-N 1 0 322.499 3.808 20 70 DHIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159834084 332713848 /nfs/dbraw/zinc/71/38/48/332713848.db2.gz VIBHJUOHAAWKCM-HZPDHXFCSA-N 1 0 306.413 3.988 20 70 DHIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000159868543 332717308 /nfs/dbraw/zinc/71/73/08/332717308.db2.gz MPNZBGSWZLZFLM-UONOGXRCSA-N 1 0 310.376 3.818 20 70 DHIDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000159963250 332738615 /nfs/dbraw/zinc/73/86/15/332738615.db2.gz BCBMOCORKXDCAL-DGCLKSJQSA-N 1 0 312.335 3.720 20 70 DHIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000159986714 332741691 /nfs/dbraw/zinc/74/16/91/332741691.db2.gz LYQQSFNCVQTEKC-NSHDSACASA-N 1 0 317.260 3.806 20 70 DHIDRO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)Cc1ccccc1 ZINC000218751813 333299350 /nfs/dbraw/zinc/29/93/50/333299350.db2.gz FSNOTHNQYVOFJF-AWEZNQCLSA-N 1 0 309.862 3.827 20 70 DHIDRO Cc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1Cl ZINC000160719745 333481356 /nfs/dbraw/zinc/48/13/56/333481356.db2.gz PRXKUTJQQGENCQ-UHFFFAOYSA-N 1 0 323.868 3.890 20 70 DHIDRO CCOc1cccc2cc([C@H](C)[NH2+]CCN3CCCCC3)oc21 ZINC000216763395 337226536 /nfs/dbraw/zinc/22/65/36/337226536.db2.gz XNPUZDCHBFOBAH-HNNXBMFYSA-N 1 0 316.445 3.968 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2C)cc1F ZINC000216768966 337226593 /nfs/dbraw/zinc/22/65/93/337226593.db2.gz GTIGVIOUPHWJJQ-CQSZACIVSA-N 1 0 303.377 3.872 20 70 DHIDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218046014 337324598 /nfs/dbraw/zinc/32/45/98/337324598.db2.gz FODHUZQCBKHSHZ-RCJHGTSTSA-N 1 0 314.473 3.620 20 70 DHIDRO CCN(C(=O)C[NH2+][C@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000218067003 337324729 /nfs/dbraw/zinc/32/47/29/337324729.db2.gz LBBDYVHJAAPTQA-HXUWFJFHSA-N 1 0 314.473 3.909 20 70 DHIDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161453145 337585913 /nfs/dbraw/zinc/58/59/13/337585913.db2.gz BMJBGTHGSGBQGW-IINYFYTJSA-N 1 0 305.315 3.522 20 70 DHIDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000218720094 337964464 /nfs/dbraw/zinc/96/44/64/337964464.db2.gz NBWYFUDGUYNKBJ-XYJFISCASA-N 1 0 302.462 3.510 20 70 DHIDRO CC(C)CC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000217772912 340489932 /nfs/dbraw/zinc/48/99/32/340489932.db2.gz AAGHRXQYOCSJQH-ZDUSSCGKSA-N 1 0 317.882 3.528 20 70 DHIDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(F)c1 ZINC000218742381 340498282 /nfs/dbraw/zinc/49/82/82/340498282.db2.gz FDNUSUZIZPUYHH-ORIJERBGSA-N 1 0 306.425 3.875 20 70 DHIDRO CC(C)[NH+]1CCC(N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161267841 519673196 /nfs/dbraw/zinc/67/31/96/519673196.db2.gz XYTMCDRPDKCJEF-QGZVFWFLSA-N 1 0 306.425 3.502 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000160590379 519903588 /nfs/dbraw/zinc/90/35/88/519903588.db2.gz BDRWJQORWFQUIE-ZDUSSCGKSA-N 1 0 302.443 3.739 20 70 DHIDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000160887140 519971207 /nfs/dbraw/zinc/97/12/07/519971207.db2.gz PTKKWMFZGRSFSD-DLBZAZTESA-N 1 0 314.477 3.635 20 70 DHIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000160487797 520524433 /nfs/dbraw/zinc/52/44/33/520524433.db2.gz ZXWSZRXQOJIUEG-HNNXBMFYSA-N 1 0 319.836 3.777 20 70 DHIDRO CC1(C)C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000160554847 520555833 /nfs/dbraw/zinc/55/58/33/520555833.db2.gz QUJJEKKNBKPCNO-CYBMUJFWSA-N 1 0 317.351 3.675 20 70 DHIDRO CCOC(CC[NH2+]Cc1cccc(C(F)(F)F)c1)OCC ZINC000159527900 521629668 /nfs/dbraw/zinc/62/96/68/521629668.db2.gz LUIXIEWGNUJFKZ-UHFFFAOYSA-N 1 0 305.340 3.584 20 70 DHIDRO COCC[C@@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160330501 521797260 /nfs/dbraw/zinc/79/72/60/521797260.db2.gz LNBCAHHTTFOBKC-LLVKDONJSA-N 1 0 323.234 3.512 20 70 DHIDRO CC[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442211 522549954 /nfs/dbraw/zinc/54/99/54/522549954.db2.gz YFUZDFFOGGTFFV-JSGCOSHPSA-N 1 0 307.825 3.582 20 70 DHIDRO CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1ccc(F)cc1 ZINC000161214484 522829113 /nfs/dbraw/zinc/82/91/13/522829113.db2.gz SLICAFAMUGZTKD-MRXNPFEDSA-N 1 0 318.392 3.588 20 70 DHIDRO CC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000159821937 522890610 /nfs/dbraw/zinc/89/06/10/522890610.db2.gz BXQGECKKMPBDAC-CYBMUJFWSA-N 1 0 315.314 3.819 20 70 DHIDRO CC[C@@H]([NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1)C1CC1 ZINC000161244395 522937362 /nfs/dbraw/zinc/93/73/62/522937362.db2.gz YHXJKNKEBKATJL-CZUORRHYSA-N 1 0 307.434 3.560 20 70 DHIDRO CN1CCC([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000161495061 523778182 /nfs/dbraw/zinc/77/81/82/523778182.db2.gz CQHTZOHVGKLNRZ-OAHLLOKOSA-N 1 0 310.894 3.951 20 70 DHIDRO COc1ccc([C@H](C)NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000160462266 525317032 /nfs/dbraw/zinc/31/70/32/525317032.db2.gz LWMKEYOGFJWATM-AWEZNQCLSA-N 1 0 320.452 3.892 20 70 DHIDRO C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1cncs1 ZINC000160493348 525455715 /nfs/dbraw/zinc/45/57/15/525455715.db2.gz DLROWNRLMOOWNZ-SNVBAGLBSA-N 1 0 316.348 3.892 20 70 DHIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000160399198 525642388 /nfs/dbraw/zinc/64/23/88/525642388.db2.gz WLGKHJNGQQYCAS-GXSJLCMTSA-N 1 0 308.274 3.758 20 70 DHIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000161011137 526083903 /nfs/dbraw/zinc/08/39/03/526083903.db2.gz DXTPGYFXUUEAAG-APWZRJJASA-N 1 0 314.473 3.768 20 70 DHIDRO c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161430553 526491052 /nfs/dbraw/zinc/49/10/52/526491052.db2.gz XCIRZJGLOFBAOP-ZWKOTPCHSA-N 1 0 301.430 3.598 20 70 DHIDRO c1ccc2c(c1)cccc2CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161452723 526513605 /nfs/dbraw/zinc/51/36/05/526513605.db2.gz JCCJREZDYSYXQT-UHFFFAOYSA-N 1 0 311.425 3.658 20 70 DHIDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000161215179 526515400 /nfs/dbraw/zinc/51/54/00/526515400.db2.gz DCOUKKXMIHQWRH-KRWDZBQOSA-N 1 0 311.429 3.745 20 70 DHIDRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000160240356 332780874 /nfs/dbraw/zinc/78/08/74/332780874.db2.gz HHVYMGKPRGXSPA-AWEZNQCLSA-N 1 0 322.880 3.508 20 70 DHIDRO CCCCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160334703 332785696 /nfs/dbraw/zinc/78/56/96/332785696.db2.gz DIHSDPTVNQILME-KSSFIOAISA-N 1 0 312.461 3.595 20 70 DHIDRO Cc1nc2ccccn2c1C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000160457919 332799628 /nfs/dbraw/zinc/79/96/28/332799628.db2.gz UHXAWNBDYRJHOQ-GOSISDBHSA-N 1 0 308.429 3.833 20 70 DHIDRO CCSc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000159543977 332656836 /nfs/dbraw/zinc/65/68/36/332656836.db2.gz BEYDLJBYVGYWEB-ZBFHGGJFSA-N 1 0 309.475 3.645 20 70 DHIDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)c1 ZINC000160850612 333670719 /nfs/dbraw/zinc/67/07/19/333670719.db2.gz XPMGRQMHVILYCB-QGZVFWFLSA-N 1 0 302.462 3.747 20 70 DHIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000160975346 333729814 /nfs/dbraw/zinc/72/98/14/333729814.db2.gz WNICMDJOMPWGKW-HNNXBMFYSA-N 1 0 312.413 3.654 20 70 DHIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(F)cc1F ZINC000161032136 333786128 /nfs/dbraw/zinc/78/61/28/333786128.db2.gz KMOWLNPJFHDWML-SUMWQHHRSA-N 1 0 324.415 3.797 20 70 DHIDRO C[C@@H]([NH2+]CCOc1ccccc1-c1ccccc1)c1cnccn1 ZINC000161091221 333806037 /nfs/dbraw/zinc/80/60/37/333806037.db2.gz GDVKYRBBXMWNDZ-MRXNPFEDSA-N 1 0 319.408 3.873 20 70 DHIDRO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000160529833 334875670 /nfs/dbraw/zinc/87/56/70/334875670.db2.gz GJXUJEFRPHJLQN-YJBOKZPZSA-N 1 0 300.446 3.518 20 70 DHIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000160562343 334875817 /nfs/dbraw/zinc/87/58/17/334875817.db2.gz YDBGMPQRZUAICY-ZWKOTPCHSA-N 1 0 310.441 3.577 20 70 DHIDRO CN(C(=O)CCc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161349378 334886485 /nfs/dbraw/zinc/88/64/85/334886485.db2.gz HSJPUBRKVBOJAY-YOFSQIOKSA-N 1 0 322.452 3.514 20 70 DHIDRO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000216662760 336280354 /nfs/dbraw/zinc/28/03/54/336280354.db2.gz CMRCIPBXEBQTRT-HZSPNIEDSA-N 1 0 308.853 3.780 20 70 DHIDRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)cc1OC ZINC000161253069 337575345 /nfs/dbraw/zinc/57/53/45/337575345.db2.gz BFZSFSFKWNUVID-KDOFPFPSSA-N 1 0 321.461 3.950 20 70 DHIDRO CCC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(OC)cc1 ZINC000161431715 337584433 /nfs/dbraw/zinc/58/44/33/337584433.db2.gz ZFLFHDOZGSEPGV-ICSRJNTNSA-N 1 0 313.441 3.902 20 70 DHIDRO CC(C)[C@H](CC1CCCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159784939 338532319 /nfs/dbraw/zinc/53/23/19/338532319.db2.gz ANMTXLFRPRUCFN-IBGZPJMESA-N 1 0 320.521 3.830 20 70 DHIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC(C)C ZINC000160519421 338552505 /nfs/dbraw/zinc/55/25/05/338552505.db2.gz VDEOLXICILGOGM-HNNXBMFYSA-N 1 0 307.434 3.530 20 70 DHIDRO Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000160781197 338564838 /nfs/dbraw/zinc/56/48/38/338564838.db2.gz VKYAAEMKBBPCQF-CABCVRRESA-N 1 0 306.475 3.703 20 70 DHIDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CCSc3ccccc32)[C@@H]1C ZINC000216822978 340485629 /nfs/dbraw/zinc/48/56/29/340485629.db2.gz KPINFCRIOZTMQI-KFWWJZLASA-N 1 0 318.486 3.540 20 70 DHIDRO CC(C)(O)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000160617919 519362000 /nfs/dbraw/zinc/36/20/00/519362000.db2.gz SSLGUQGZVVMHDM-ZDUSSCGKSA-N 1 0 320.433 3.687 20 70 DHIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000160589090 519903355 /nfs/dbraw/zinc/90/33/55/519903355.db2.gz AMTZKTMUXCUQRX-YWZLYKJASA-N 1 0 322.452 3.850 20 70 DHIDRO CC(C)n1cc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)cn1 ZINC000161375046 519972917 /nfs/dbraw/zinc/97/29/17/519972917.db2.gz WYPFYLDDALWBHY-CQSZACIVSA-N 1 0 301.409 3.986 20 70 DHIDRO CC(C)n1cc([C@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160417918 519979139 /nfs/dbraw/zinc/97/91/39/519979139.db2.gz MJIYPNXAQBNEPE-MAUKXSAKSA-N 1 0 306.498 3.625 20 70 DHIDRO CCCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000160519037 520372910 /nfs/dbraw/zinc/37/29/10/520372910.db2.gz DLIBXMXRVKCJEP-OAHLLOKOSA-N 1 0 307.434 3.531 20 70 DHIDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000160968292 522295144 /nfs/dbraw/zinc/29/51/44/522295144.db2.gz MAYJESIHVJTBNV-HZPDHXFCSA-N 1 0 302.462 3.624 20 70 DHIDRO CC[C@@H](C[NH2+][C@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330492 522553921 /nfs/dbraw/zinc/55/39/21/522553921.db2.gz GJOUJLJPPARCIV-DOMZBBRYSA-N 1 0 306.356 3.868 20 70 DHIDRO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000159960183 522721330 /nfs/dbraw/zinc/72/13/30/522721330.db2.gz ZXTMOWLZWBFOPX-CABCVRRESA-N 1 0 307.434 3.702 20 70 DHIDRO CC[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(OC(F)F)cc1 ZINC000160607431 522853611 /nfs/dbraw/zinc/85/36/11/522853611.db2.gz HZTMFJKSXLEKKN-IMJJTQAJSA-N 1 0 313.388 3.880 20 70 DHIDRO COCc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)o1 ZINC000160619141 522968300 /nfs/dbraw/zinc/96/83/00/522968300.db2.gz HWLIDANIGLUCEW-UHFFFAOYSA-N 1 0 311.328 3.659 20 70 DHIDRO CCn1cc([C@H](C)[NH2+]CC2(Sc3ccccc3)CC2)cn1 ZINC000160492320 523470591 /nfs/dbraw/zinc/47/05/91/523470591.db2.gz KIDZTXOZJWWQGX-AWEZNQCLSA-N 1 0 301.459 3.879 20 70 DHIDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159978439 523852297 /nfs/dbraw/zinc/85/22/97/523852297.db2.gz NQSSCLPDZPQLLQ-DYVFJYSZSA-N 1 0 305.443 3.623 20 70 DHIDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCSC2)c1C ZINC000159569692 524605723 /nfs/dbraw/zinc/60/57/23/524605723.db2.gz LNXYKSXIXGMJKL-DZGCQCFKSA-N 1 0 306.475 3.506 20 70 DHIDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)c1cnccn1 ZINC000161404084 524709523 /nfs/dbraw/zinc/70/95/23/524709523.db2.gz QKRFMZULCJCQPN-VXGBXAGGSA-N 1 0 320.234 3.521 20 70 DHIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1NC(C)=O ZINC000160934922 525155724 /nfs/dbraw/zinc/15/57/24/525155724.db2.gz LWAYKTYFISVJKW-GFCCVEGCSA-N 1 0 318.442 3.874 20 70 DHIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Cl)sc1Cl ZINC000159512760 525335798 /nfs/dbraw/zinc/33/57/98/525335798.db2.gz ONOIYYNVUDKOML-VIFPVBQESA-N 1 0 321.273 3.718 20 70 DHIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(SCC(F)(F)F)cc1 ZINC000160590724 525417286 /nfs/dbraw/zinc/41/72/86/525417286.db2.gz RMNYKNBMCVPSGJ-SNVBAGLBSA-N 1 0 307.381 3.763 20 70 DHIDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1 ZINC000159795766 525474267 /nfs/dbraw/zinc/47/42/67/525474267.db2.gz UWZPNYFDLQRTBC-VIFPVBQESA-N 1 0 317.742 3.943 20 70 DHIDRO C[C@@](O)(C[NH2+]Cc1cccc(-c2ccccn2)c1)c1ccccc1 ZINC000159727404 525776235 /nfs/dbraw/zinc/77/62/35/525776235.db2.gz AVHGFFCBXVKNEH-OAQYLSRUSA-N 1 0 318.420 3.746 20 70 DHIDRO Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)C ZINC000159697886 525987894 /nfs/dbraw/zinc/98/78/94/525987894.db2.gz FSHPHWNMHAQVOQ-YOEHRIQHSA-N 1 0 314.429 3.554 20 70 DHIDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)sc1-c1cccc(Cl)c1 ZINC000160190125 526258220 /nfs/dbraw/zinc/25/82/20/526258220.db2.gz BFNQZAPRYVUWNG-CYBMUJFWSA-N 1 0 320.845 3.550 20 70 DHIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cnc(C)nc2C)n1 ZINC000160663101 526338528 /nfs/dbraw/zinc/33/85/28/526338528.db2.gz JXFFMIYHXAUOIQ-LBPRGKRZSA-N 1 0 304.463 3.532 20 70 DHIDRO c1ccc2cc(CC[NH2+]C3CCC4(CC3)OCCO4)ccc2c1 ZINC000161440319 526515566 /nfs/dbraw/zinc/51/55/66/526515566.db2.gz ZSJYSSYYIXNHKE-UHFFFAOYSA-N 1 0 311.425 3.658 20 70 DHIDRO Clc1ccc(CN2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000159596625 526943701 /nfs/dbraw/zinc/94/37/01/526943701.db2.gz CPWOSZMOSBEYDM-KRWDZBQOSA-N 1 0 324.921 3.790 20 70 DHIDRO